NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
580070 | 2mjm | 19732 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 -7.820 19.448 3.059 2 H2 GLY 1 2H GLY 1 -9.049 18.903 4.080 3 H3 GLY 1 3H GLY 1 -7.860 19.923 4.688 4 HA2 GLY 1 1HA GLY 1 -9.921 21.091 4.332 5 HA3 GLY 1 2HA GLY 1 -8.673 21.705 3.263 6 HA PRO 2 HA PRO 2 -12.464 20.264 0.827 7 HB2 PRO 2 2HB PRO 2 -12.786 23.080 0.087 8 HB3 PRO 2 1HB PRO 2 -13.978 21.973 0.774 9 HG2 PRO 2 2HG PRO 2 -12.940 24.042 2.169 10 HG3 PRO 2 1HG PRO 2 -13.428 22.520 2.941 11 HD2 PRO 2 2HD PRO 2 -10.698 23.482 2.182 12 HD3 PRO 2 1HD PRO 2 -11.225 22.632 3.649 13 H LEU 3 H LEU 3 -11.876 19.590 -1.124 14 HA LEU 3 HA LEU 3 -9.909 21.173 -2.625 15 HB2 LEU 3 2HB LEU 3 -10.405 18.205 -2.707 16 HB3 LEU 3 1HB LEU 3 -9.194 19.069 -3.616 17 HG LEU 3 HG LEU 3 -9.233 18.758 -0.617 18 HD11 LEU 3 1HD1 LEU 3 -8.775 16.670 -1.764 19 HD12 LEU 3 2HD1 LEU 3 -7.321 17.285 -0.981 20 HD13 LEU 3 3HD1 LEU 3 -7.525 17.458 -2.725 21 HD21 LEU 3 3HD2 LEU 3 -6.963 19.697 -0.733 22 HD22 LEU 3 1HD2 LEU 3 -8.173 20.848 -1.302 23 HD23 LEU 3 2HD2 LEU 3 -7.178 19.972 -2.462 24 H GLY 4 H GLY 4 -10.695 22.016 -4.441 25 HA2 GLY 4 2HA GLY 4 -13.271 21.346 -5.456 26 HA3 GLY 4 1HA GLY 4 -12.081 22.393 -6.230 27 H SER 5 H SER 5 -9.965 20.698 -6.415 28 HA SER 5 HA SER 5 -10.963 18.559 -8.138 29 HB2 SER 5 2HB SER 5 -8.823 18.906 -9.430 30 HB3 SER 5 1HB SER 5 -9.962 20.253 -9.526 31 HG SER 5 HG SER 5 -8.735 21.427 -8.229 32 H MET 6 H MET 6 -8.923 16.924 -8.432 33 HA MET 6 HA MET 6 -7.986 16.383 -5.685 34 HB2 MET 6 2HB MET 6 -9.656 14.869 -6.846 35 HB3 MET 6 1HB MET 6 -8.361 14.390 -7.912 36 HG2 MET 6 2HG MET 6 -8.523 12.720 -6.190 37 HG3 MET 6 1HG MET 6 -7.045 13.641 -5.937 38 HE1 MET 6 3HE MET 6 -10.766 14.741 -5.071 39 HE2 MET 6 1HE MET 6 -10.888 14.136 -3.421 40 HE3 MET 6 2HE MET 6 -10.726 13.004 -4.764 41 H ASP 7 H ASP 7 -7.006 17.758 -8.218 42 HA ASP 7 HA ASP 7 -4.759 16.260 -9.217 43 HB2 ASP 7 2HB ASP 7 -5.628 19.096 -9.692 44 HB3 ASP 7 1HB ASP 7 -4.164 18.427 -10.395 45 H ALA 8 H ALA 8 -4.711 17.052 -6.325 46 HA ALA 8 HA ALA 8 -2.483 18.862 -6.051 47 HB1 ALA 8 3HB ALA 8 -4.105 18.660 -4.255 48 HB2 ALA 8 1HB ALA 8 -2.495 18.220 -3.691 49 HB3 ALA 8 2HB ALA 8 -3.683 16.958 -4.038 50 H GLU 9 H GLU 9 -2.919 15.733 -6.813 51 HA GLU 9 HA GLU 9 -0.705 14.336 -5.750 52 HB2 GLU 9 2HB GLU 9 -1.294 12.912 -7.932 53 HB3 GLU 9 1HB GLU 9 -2.282 12.849 -6.471 54 HG2 GLU 9 2HG GLU 9 -3.823 14.248 -7.340 55 HG3 GLU 9 1HG GLU 9 -2.829 14.754 -8.729 56 H SER 10 H SER 10 -1.242 16.039 -8.750 57 HA SER 10 HA SER 10 1.205 15.240 -9.939 58 HB2 SER 10 2HB SER 10 -0.632 17.534 -10.640 59 HB3 SER 10 1HB SER 10 0.489 16.691 -11.712 60 HG SER 10 HG SER 10 -0.834 14.752 -10.970 61 H ILE 11 H ILE 11 0.274 17.524 -7.638 62 HA ILE 11 HA ILE 11 2.266 19.518 -8.262 63 HB ILE 11 HB ILE 11 0.644 19.424 -5.741 64 HG12 ILE 11 2HG1 ILE 11 -1.089 19.169 -7.314 65 HG13 ILE 11 1HG1 ILE 11 -0.932 20.909 -7.008 66 HG21 ILE 11 1HG2 ILE 11 1.738 21.695 -7.392 67 HG22 ILE 11 2HG2 ILE 11 2.371 21.105 -5.855 68 HG23 ILE 11 3HG2 ILE 11 0.783 21.868 -5.919 69 HD11 ILE 11 3HD1 ILE 11 -1.396 20.341 -9.319 70 HD12 ILE 11 1HD1 ILE 11 0.095 19.424 -9.370 71 HD13 ILE 11 2HD1 ILE 11 0.171 21.188 -9.146 72 H ARG 12 H ARG 12 1.389 17.333 -5.686 73 HA ARG 12 HA ARG 12 3.829 17.673 -4.188 74 HB2 ARG 12 2HB ARG 12 1.235 16.340 -3.786 75 HB3 ARG 12 1HB ARG 12 2.620 15.701 -2.919 76 HG2 ARG 12 2HG ARG 12 1.714 18.542 -2.859 77 HG3 ARG 12 1HG ARG 12 1.310 17.347 -1.614 78 HD2 ARG 12 2HD ARG 12 3.937 17.003 -1.623 79 HD3 ARG 12 1HD ARG 12 3.921 18.642 -2.259 80 HE ARG 12 HE ARG 12 2.731 17.843 0.306 81 HH11 ARG 12 1HH1 ARG 12 4.317 20.312 -1.682 82 HH12 ARG 12 2HH1 ARG 12 4.768 21.298 -0.386 83 HH21 ARG 12 1HH2 ARG 12 3.383 19.110 2.077 84 HH22 ARG 12 2HH2 ARG 12 4.203 20.601 1.874 85 H LEU 13 H LEU 13 3.343 16.112 -6.823 86 HA LEU 13 HA LEU 13 3.819 13.436 -6.679 87 HB2 LEU 13 2HB LEU 13 3.363 14.626 -8.766 88 HB3 LEU 13 1HB LEU 13 4.938 15.366 -8.720 89 HG LEU 13 HG LEU 13 4.578 13.495 -10.413 90 HD11 LEU 13 1HD1 LEU 13 6.878 13.165 -8.504 91 HD12 LEU 13 2HD1 LEU 13 6.817 14.241 -9.899 92 HD13 LEU 13 3HD1 LEU 13 6.783 12.494 -10.134 93 HD21 LEU 13 3HD2 LEU 13 4.859 11.185 -9.575 94 HD22 LEU 13 1HD2 LEU 13 3.351 11.934 -9.039 95 HD23 LEU 13 2HD2 LEU 13 4.715 11.799 -7.933 96 H ASN 14 H ASN 14 5.249 12.185 -5.849 97 HA ASN 14 HA ASN 14 8.044 12.470 -6.160 98 HB2 ASN 14 2HB ASN 14 7.693 13.855 -4.077 99 HB3 ASN 14 1HB ASN 14 6.828 12.505 -3.360 100 HD21 ASN 14 1HD2 ASN 14 9.943 13.688 -4.357 101 HD22 ASN 14 2HD2 ASN 14 10.890 12.536 -3.489 102 H ASN 15 H ASN 15 8.941 10.312 -5.712 103 HA ASN 15 HA ASN 15 7.016 8.448 -4.791 104 HB2 ASN 15 2HB ASN 15 7.265 6.852 -6.745 105 HB3 ASN 15 1HB ASN 15 6.235 8.253 -6.950 106 HD21 ASN 15 1HD2 ASN 15 6.371 7.965 -9.118 107 HD22 ASN 15 2HD2 ASN 15 7.726 8.415 -10.072 108 H GLU 16 H GLU 16 10.362 8.714 -5.927 109 HA GLU 16 HA GLU 16 11.009 6.143 -5.001 110 HB2 GLU 16 2HB GLU 16 12.831 8.532 -5.316 111 HB3 GLU 16 1HB GLU 16 13.401 6.928 -4.928 112 HG2 GLU 16 2HG GLU 16 12.389 6.136 -7.077 113 HG3 GLU 16 1HG GLU 16 12.062 7.825 -7.467 114 H ASN 17 H ASN 17 11.203 9.234 -3.372 115 HA ASN 17 HA ASN 17 12.291 8.227 -0.933 116 HB2 ASN 17 2HB ASN 17 10.560 10.672 -1.342 117 HB3 ASN 17 1HB ASN 17 11.543 10.342 0.075 118 HD21 ASN 17 1HD2 ASN 17 13.768 10.628 -0.074 119 HD22 ASN 17 2HD2 ASN 17 14.489 11.505 -1.369 120 H LEU 18 H LEU 18 9.033 8.869 -2.066 121 HA LEU 18 HA LEU 18 7.755 8.275 0.381 122 HB2 LEU 18 2HB LEU 18 6.681 8.342 -2.431 123 HB3 LEU 18 1HB LEU 18 5.685 8.077 -1.018 124 HG LEU 18 HG LEU 18 7.273 10.587 -1.596 125 HD11 LEU 18 1HD1 LEU 18 4.308 10.062 -1.715 126 HD12 LEU 18 2HD1 LEU 18 5.373 10.345 -3.091 127 HD13 LEU 18 3HD1 LEU 18 5.085 11.628 -1.919 128 HD21 LEU 18 3HD2 LEU 18 6.021 11.534 0.301 129 HD22 LEU 18 1HD2 LEU 18 7.070 10.207 0.808 130 HD23 LEU 18 2HD2 LEU 18 5.335 9.948 0.626 131 H TRP 19 H TRP 19 8.511 6.309 -2.451 132 HA TRP 19 HA TRP 19 7.070 4.046 -1.637 133 HB2 TRP 19 2HB TRP 19 7.912 4.445 -3.955 134 HB3 TRP 19 1HB TRP 19 9.543 4.167 -3.371 135 HD1 TRP 19 HD1 TRP 19 10.390 1.763 -3.599 136 HE1 TRP 19 HE1 TRP 19 9.303 -0.536 -4.038 137 HE3 TRP 19 HE3 TRP 19 5.469 3.102 -3.365 138 HZ2 TRP 19 HZ2 TRP 19 6.732 -1.621 -4.240 139 HZ3 TRP 19 HZ3 TRP 19 3.755 1.370 -3.691 140 HH2 TRP 19 HH2 TRP 19 4.374 -0.942 -4.118 141 H ALA 20 H ALA 20 10.424 5.043 -1.104 142 HA ALA 20 HA ALA 20 11.251 2.669 0.179 143 HB1 ALA 20 3HB ALA 20 12.839 4.281 -0.695 144 HB2 ALA 20 1HB ALA 20 13.129 3.975 1.015 145 HB3 ALA 20 2HB ALA 20 12.328 5.474 0.503 146 H TRP 21 H TRP 21 10.003 5.713 1.456 147 HA TRP 21 HA TRP 21 9.995 5.045 4.172 148 HB2 TRP 21 2HB TRP 21 9.644 7.321 3.767 149 HB3 TRP 21 1HB TRP 21 8.493 7.017 2.475 150 HD1 TRP 21 HD1 TRP 21 6.049 7.370 3.064 151 HE1 TRP 21 HE1 TRP 21 4.673 7.581 5.208 152 HE3 TRP 21 HE3 TRP 21 9.710 6.411 6.499 153 HZ2 TRP 21 HZ2 TRP 21 5.049 7.376 7.963 154 HZ3 TRP 21 HZ3 TRP 21 9.104 6.432 8.888 155 HH2 TRP 21 HH2 TRP 21 6.809 6.903 9.602 156 H LEU 22 H LEU 22 7.487 4.677 1.711 157 HA LEU 22 HA LEU 22 5.463 3.610 3.298 158 HB2 LEU 22 2HB LEU 22 5.253 4.439 0.947 159 HB3 LEU 22 1HB LEU 22 6.060 2.986 0.405 160 HG LEU 22 HG LEU 22 4.161 1.657 1.349 161 HD11 LEU 22 1HD1 LEU 22 2.068 2.832 1.834 162 HD12 LEU 22 2HD1 LEU 22 2.907 4.377 1.696 163 HD13 LEU 22 3HD1 LEU 22 3.339 3.247 2.981 164 HD21 LEU 22 3HD2 LEU 22 3.457 3.720 -0.737 165 HD22 LEU 22 1HD2 LEU 22 2.612 2.197 -0.468 166 HD23 LEU 22 2HD2 LEU 22 4.284 2.190 -1.027 167 H VAL 23 H VAL 23 7.882 1.954 1.298 168 HA VAL 23 HA VAL 23 7.183 -0.652 1.847 169 HB VAL 23 HB VAL 23 9.836 0.567 1.049 170 HG11 VAL 23 1HG1 VAL 23 9.200 -2.383 1.232 171 HG12 VAL 23 2HG1 VAL 23 10.335 -1.497 2.258 172 HG13 VAL 23 3HG1 VAL 23 10.655 -1.659 0.532 173 HG21 VAL 23 3HG2 VAL 23 9.319 -0.470 -1.096 174 HG22 VAL 23 1HG2 VAL 23 8.046 0.636 -0.583 175 HG23 VAL 23 2HG2 VAL 23 7.817 -1.107 -0.430 176 H ARG 24 H ARG 24 9.419 1.409 3.686 177 HA ARG 24 HA ARG 24 10.124 -0.773 5.394 178 HB2 ARG 24 2HB ARG 24 10.652 2.176 5.661 179 HB3 ARG 24 1HB ARG 24 11.184 0.994 6.839 180 HG2 ARG 24 2HG ARG 24 12.023 1.101 3.941 181 HG3 ARG 24 1HG ARG 24 12.980 1.641 5.315 182 HD2 ARG 24 2HD ARG 24 13.859 -0.473 4.886 183 HD3 ARG 24 1HD ARG 24 12.694 -0.803 6.162 184 HE ARG 24 HE ARG 24 12.120 -1.222 3.312 185 HH11 ARG 24 1HH1 ARG 24 12.024 -2.458 6.652 186 HH12 ARG 24 2HH1 ARG 24 11.318 -3.938 6.219 187 HH21 ARG 24 1HH2 ARG 24 11.228 -3.339 2.755 188 HH22 ARG 24 2HH2 ARG 24 10.894 -4.482 3.966 189 H LEU 25 H LEU 25 7.911 1.935 5.704 190 HA LEU 25 HA LEU 25 7.301 1.428 8.440 191 HB2 LEU 25 2HB LEU 25 7.005 3.581 7.088 192 HB3 LEU 25 1HB LEU 25 5.599 2.850 6.380 193 HG LEU 25 HG LEU 25 4.986 4.497 8.118 194 HD11 LEU 25 1HD1 LEU 25 4.275 1.747 8.974 195 HD12 LEU 25 2HD1 LEU 25 3.487 2.717 7.726 196 HD13 LEU 25 3HD1 LEU 25 3.460 3.257 9.415 197 HD21 LEU 25 3HD2 LEU 25 5.459 4.095 10.469 198 HD22 LEU 25 1HD2 LEU 25 6.946 4.297 9.544 199 HD23 LEU 25 2HD2 LEU 25 6.425 2.685 10.044 200 H LEU 26 H LEU 26 5.732 0.477 5.391 201 HA LEU 26 HA LEU 26 3.554 -0.931 6.560 202 HB2 LEU 26 2HB LEU 26 4.891 -1.157 3.904 203 HB3 LEU 26 1HB LEU 26 3.360 -1.885 4.342 204 HG LEU 26 HG LEU 26 3.955 0.869 3.511 205 HD11 LEU 26 1HD1 LEU 26 2.554 -0.650 2.319 206 HD12 LEU 26 2HD1 LEU 26 1.542 0.697 2.997 207 HD13 LEU 26 3HD1 LEU 26 1.703 -0.858 3.854 208 HD21 LEU 26 3HD2 LEU 26 1.960 0.475 5.752 209 HD22 LEU 26 1HD2 LEU 26 2.280 1.968 4.869 210 HD23 LEU 26 2HD2 LEU 26 3.515 1.289 5.925 211 H SER 27 H SER 27 6.905 -1.727 5.967 212 HA SER 27 HA SER 27 6.624 -4.539 6.140 213 HB2 SER 27 2HB SER 27 8.541 -3.466 5.062 214 HB3 SER 27 1HB SER 27 8.976 -2.674 6.566 215 HG SER 27 HG SER 27 8.898 -5.220 7.138 216 H LYS 28 H LYS 28 6.569 -1.933 8.362 217 HA LYS 28 HA LYS 28 7.240 -3.621 10.579 218 HB2 LYS 28 2HB LYS 28 6.387 -0.743 10.668 219 HB3 LYS 28 1HB LYS 28 7.206 -1.654 11.936 220 HG2 LYS 28 2HG LYS 28 9.012 -1.994 10.013 221 HG3 LYS 28 1HG LYS 28 8.189 -0.643 9.375 222 HD2 LYS 28 2HD LYS 28 9.280 -0.622 12.154 223 HD3 LYS 28 1HD LYS 28 10.180 -0.017 10.760 224 HE2 LYS 28 2HE LYS 28 8.374 1.608 10.344 225 HE3 LYS 28 1HE LYS 28 7.519 1.004 11.762 226 HZ1 LYS 28 3HZ LYS 28 9.378 1.693 13.127 227 HZ2 LYS 28 1HZ LYS 28 8.776 3.013 12.264 228 HZ3 LYS 28 2HZ LYS 28 10.209 2.256 11.787 229 H ASN 29 H ASN 29 4.640 -3.081 8.701 230 HA ASN 29 HA ASN 29 2.653 -3.604 10.791 231 HB2 ASN 29 2HB ASN 29 2.554 -1.609 8.587 232 HB3 ASN 29 1HB ASN 29 1.136 -2.056 9.355 233 HD21 ASN 29 1HD2 ASN 29 3.964 -0.196 9.604 234 HD22 ASN 29 2HD2 ASN 29 3.647 0.586 11.105 235 HA PRO 30 HA PRO 30 2.394 -6.070 6.619 236 HB2 PRO 30 2HB PRO 30 2.863 -8.496 8.245 237 HB3 PRO 30 1HB PRO 30 3.668 -7.994 6.756 238 HG2 PRO 30 2HG PRO 30 4.948 -7.956 9.113 239 HG3 PRO 30 1HG PRO 30 5.241 -6.718 7.880 240 HD2 PRO 30 2HD PRO 30 3.517 -6.560 10.338 241 HD3 PRO 30 1HD PRO 30 4.665 -5.371 9.714 242 H GLU 31 H GLU 31 1.435 -6.449 9.816 243 HA GLU 31 HA GLU 31 -0.794 -8.122 9.694 244 HB2 GLU 31 2HB GLU 31 -0.182 -5.872 11.582 245 HB3 GLU 31 1HB GLU 31 -1.307 -7.188 11.865 246 HG2 GLU 31 2HG GLU 31 1.679 -7.376 11.568 247 HG3 GLU 31 1HG GLU 31 0.754 -7.594 13.058 248 H TRP 32 H TRP 32 -0.361 -4.584 9.200 249 HA TRP 32 HA TRP 32 -3.200 -4.115 9.464 250 HB2 TRP 32 2HB TRP 32 -1.678 -2.345 10.214 251 HB3 TRP 32 1HB TRP 32 -0.903 -2.320 8.634 252 HD1 TRP 32 HD1 TRP 32 -4.116 -1.171 10.390 253 HE1 TRP 32 HE1 TRP 32 -5.280 0.570 8.918 254 HE3 TRP 32 HE3 TRP 32 -1.193 -1.581 6.265 255 HZ2 TRP 32 HZ2 TRP 32 -4.930 1.711 6.246 256 HZ3 TRP 32 HZ3 TRP 32 -1.622 -0.256 4.357 257 HH2 TRP 32 HH2 TRP 32 -3.453 1.386 4.303 258 H LEU 33 H LEU 33 -0.680 -4.199 7.129 259 HA LEU 33 HA LEU 33 -2.002 -3.484 4.898 260 HB2 LEU 33 2HB LEU 33 0.390 -5.084 5.470 261 HB3 LEU 33 1HB LEU 33 -0.350 -5.197 3.892 262 HG LEU 33 HG LEU 33 1.387 -3.597 3.790 263 HD11 LEU 33 1HD1 LEU 33 -1.273 -2.178 3.803 264 HD12 LEU 33 2HD1 LEU 33 -0.720 -3.255 2.563 265 HD13 LEU 33 3HD1 LEU 33 0.160 -1.747 2.856 266 HD21 LEU 33 3HD2 LEU 33 0.290 -2.782 6.381 267 HD22 LEU 33 1HD2 LEU 33 0.741 -1.421 5.341 268 HD23 LEU 33 2HD2 LEU 33 1.913 -2.659 5.742 269 H SER 34 H SER 34 -1.517 -6.816 6.009 270 HA SER 34 HA SER 34 -2.795 -8.049 3.901 271 HB2 SER 34 2HB SER 34 -3.191 -9.861 5.752 272 HB3 SER 34 1HB SER 34 -1.534 -9.444 5.288 273 HG SER 34 HG SER 34 -1.222 -8.552 7.147 274 H ALA 35 H ALA 35 -4.062 -6.889 6.856 275 HA ALA 35 HA ALA 35 -6.732 -7.719 6.783 276 HB1 ALA 35 3HB ALA 35 -5.593 -6.803 8.780 277 HB2 ALA 35 1HB ALA 35 -7.133 -5.997 8.459 278 HB3 ALA 35 2HB ALA 35 -5.620 -5.212 8.032 279 H LYS 36 H LYS 36 -5.297 -4.619 5.828 280 HA LYS 36 HA LYS 36 -7.739 -3.657 4.802 281 HB2 LYS 36 2HB LYS 36 -4.917 -2.589 4.590 282 HB3 LYS 36 1HB LYS 36 -6.263 -1.791 3.796 283 HG2 LYS 36 2HG LYS 36 -6.189 -2.418 6.714 284 HG3 LYS 36 1HG LYS 36 -5.651 -0.893 6.010 285 HD2 LYS 36 2HD LYS 36 -8.369 -1.991 5.437 286 HD3 LYS 36 1HD LYS 36 -8.086 -1.000 6.897 287 HE2 LYS 36 2HE LYS 36 -7.173 0.716 5.244 288 HE3 LYS 36 1HE LYS 36 -7.844 -0.310 3.978 289 HZ1 LYS 36 3HZ LYS 36 -9.400 1.420 4.571 290 HZ2 LYS 36 1HZ LYS 36 -9.307 0.948 6.194 291 HZ3 LYS 36 2HZ LYS 36 -10.022 -0.080 5.041 292 H LEU 37 H LEU 37 -5.035 -5.352 3.332 293 HA LEU 37 HA LEU 37 -5.746 -4.940 0.702 294 HB2 LEU 37 2HB LEU 37 -4.424 -7.273 2.055 295 HB3 LEU 37 1HB LEU 37 -4.512 -7.077 0.326 296 HG LEU 37 HG LEU 37 -3.040 -5.282 2.255 297 HD11 LEU 37 1HD1 LEU 37 -1.985 -7.212 0.206 298 HD12 LEU 37 2HD1 LEU 37 -2.032 -7.476 1.946 299 HD13 LEU 37 3HD1 LEU 37 -1.035 -6.184 1.287 300 HD21 LEU 37 3HD2 LEU 37 -3.174 -5.178 -0.761 301 HD22 LEU 37 1HD2 LEU 37 -2.110 -4.204 0.254 302 HD23 LEU 37 2HD2 LEU 37 -3.854 -3.992 0.357 303 H ARG 38 H ARG 38 -7.080 -7.062 3.141 304 HA ARG 38 HA ARG 38 -8.371 -8.847 1.403 305 HB2 ARG 38 2HB ARG 38 -9.332 -8.139 4.136 306 HB3 ARG 38 1HB ARG 38 -9.623 -9.622 3.236 307 HG2 ARG 38 2HG ARG 38 -6.912 -9.693 3.288 308 HG3 ARG 38 1HG ARG 38 -7.215 -8.638 4.553 309 HD2 ARG 38 2HD ARG 38 -7.107 -10.752 5.538 310 HD3 ARG 38 1HD ARG 38 -8.798 -10.176 5.542 311 HE ARG 38 HE ARG 38 -8.939 -11.621 3.423 312 HH11 ARG 38 1HH1 ARG 38 -7.162 -12.538 6.376 313 HH12 ARG 38 2HH1 ARG 38 -7.313 -14.200 6.112 314 HH21 ARG 38 1HH2 ARG 38 -9.147 -13.954 3.098 315 HH22 ARG 38 2HH2 ARG 38 -8.467 -15.013 4.234 316 H SER 39 H SER 39 -9.183 -5.685 2.527 317 HA SER 39 HA SER 39 -11.976 -5.751 1.869 318 HB2 SER 39 2HB SER 39 -11.109 -4.294 3.660 319 HB3 SER 39 1HB SER 39 -10.095 -3.485 2.473 320 HG SER 39 HG SER 39 -12.842 -3.521 1.970 321 H PHE 40 H PHE 40 -8.995 -4.670 0.430 322 HA PHE 40 HA PHE 40 -10.250 -3.449 -1.887 323 HB2 PHE 40 2HB PHE 40 -7.415 -4.013 -1.121 324 HB3 PHE 40 1HB PHE 40 -7.887 -3.209 -2.634 325 HD1 PHE 40 HD2 PHE 40 -9.312 -1.123 -2.389 326 HD2 PHE 40 HD1 PHE 40 -7.240 -2.734 0.951 327 HE1 PHE 40 HE2 PHE 40 -9.569 1.013 -1.186 328 HE2 PHE 40 HE1 PHE 40 -7.496 -0.647 2.123 329 HZ PHE 40 HZ PHE 40 -8.665 1.245 1.084 330 H LEU 41 H LEU 41 -8.007 -6.236 -1.495 331 HA LEU 41 HA LEU 41 -8.742 -7.181 -4.115 332 HB2 LEU 41 2HB LEU 41 -6.888 -8.320 -2.051 333 HB3 LEU 41 1HB LEU 41 -6.991 -8.793 -3.726 334 HG LEU 41 HG LEU 41 -5.148 -7.565 -3.742 335 HD11 LEU 41 1HD1 LEU 41 -7.259 -5.569 -4.280 336 HD12 LEU 41 2HD1 LEU 41 -6.409 -6.600 -5.445 337 HD13 LEU 41 3HD1 LEU 41 -5.565 -5.281 -4.610 338 HD21 LEU 41 3HD2 LEU 41 -5.061 -6.881 -1.485 339 HD22 LEU 41 1HD2 LEU 41 -6.270 -5.629 -1.761 340 HD23 LEU 41 2HD2 LEU 41 -4.682 -5.504 -2.521 341 HA PRO 42 HA PRO 42 -11.854 -9.608 -1.887 342 HB2 PRO 42 2HB PRO 42 -13.062 -10.639 -4.101 343 HB3 PRO 42 1HB PRO 42 -13.373 -9.000 -3.517 344 HG2 PRO 42 2HG PRO 42 -11.580 -9.909 -5.736 345 HG3 PRO 42 1HG PRO 42 -12.677 -8.518 -5.688 346 HD2 PRO 42 2HD PRO 42 -10.006 -8.303 -5.323 347 HD3 PRO 42 1HD PRO 42 -11.159 -7.218 -4.540 348 H THR 43 H THR 43 -9.503 -10.617 -4.144 349 HA THR 43 HA THR 43 -9.786 -13.442 -3.419 350 HB THR 43 HB THR 43 -8.499 -13.766 -5.564 351 HG1 THR 43 HG1 THR 43 -8.775 -11.801 -6.962 352 HG21 THR 43 3HG2 THR 43 -10.500 -13.283 -6.965 353 HG22 THR 43 1HG2 THR 43 -11.088 -12.302 -5.608 354 HG23 THR 43 2HG2 THR 43 -10.896 -14.043 -5.398 355 H MET 44 H MET 44 -8.520 -11.344 -1.951 356 HA MET 44 HA MET 44 -5.870 -10.795 -2.174 357 HB2 MET 44 2HB MET 44 -7.624 -10.563 -0.022 358 HB3 MET 44 1HB MET 44 -6.373 -11.610 0.556 359 HG2 MET 44 2HG MET 44 -6.169 -8.714 -0.234 360 HG3 MET 44 1HG MET 44 -5.878 -9.497 1.233 361 HE1 MET 44 3HE MET 44 -4.045 -10.485 -2.407 362 HE2 MET 44 1HE MET 44 -2.704 -9.397 -2.139 363 HE3 MET 44 2HE MET 44 -4.340 -8.745 -2.301 364 H ASP 45 H ASP 45 -4.518 -12.357 -2.928 365 HA ASP 45 HA ASP 45 -4.239 -14.839 -1.508 366 HB2 ASP 45 2HB ASP 45 -2.623 -15.385 -3.333 367 HB3 ASP 45 1HB ASP 45 -4.220 -14.968 -3.934 368 H LEU 46 H LEU 46 -3.791 -13.329 0.258 369 HA LEU 46 HA LEU 46 -1.200 -12.111 0.373 370 HB2 LEU 46 2HB LEU 46 -1.931 -11.241 2.584 371 HB3 LEU 46 1HB LEU 46 -3.109 -10.983 1.315 372 HG LEU 46 HG LEU 46 -4.485 -12.823 2.213 373 HD11 LEU 46 1HD1 LEU 46 -2.605 -12.700 4.565 374 HD12 LEU 46 2HD1 LEU 46 -2.829 -14.075 3.483 375 HD13 LEU 46 3HD1 LEU 46 -4.154 -13.540 4.520 376 HD21 LEU 46 3HD2 LEU 46 -4.945 -10.466 2.652 377 HD22 LEU 46 1HD2 LEU 46 -3.881 -10.496 4.031 378 HD23 LEU 46 2HD2 LEU 46 -5.365 -11.438 4.053 379 H ASP 47 H ASP 47 -2.400 -15.109 0.839 380 HA ASP 47 HA ASP 47 -0.699 -16.019 2.933 381 HB2 ASP 47 2HB ASP 47 -2.810 -17.113 2.530 382 HB3 ASP 47 1HB ASP 47 -2.376 -17.447 0.866 383 H CYS 48 H CYS 48 -0.278 -15.277 -0.212 384 HA CYS 48 HA CYS 48 1.922 -17.119 -0.681 385 HB2 CYS 48 2HB CYS 48 0.429 -16.476 -2.584 386 HB3 CYS 48 1HB CYS 48 0.994 -14.817 -2.406 387 HG CYS 48 HG CYS 48 2.323 -15.719 -4.606 388 H SER 49 H SER 49 3.612 -16.677 0.523 389 HA SER 49 HA SER 49 4.872 -14.086 0.236 390 HB2 SER 49 2HB SER 49 3.515 -14.013 2.375 391 HB3 SER 49 1HB SER 49 4.427 -15.401 2.949 392 HG SER 49 HG SER 49 6.187 -13.476 2.223 393 H TYR 50 H TYR 50 6.092 -15.307 -1.167 394 HA TYR 50 HA TYR 50 7.616 -17.527 -0.389 395 HB2 TYR 50 2HB TYR 50 9.106 -16.546 -2.385 396 HB3 TYR 50 1HB TYR 50 7.647 -17.503 -2.667 397 HD1 TYR 50 HD1 TYR 50 8.785 -13.957 -2.236 398 HD2 TYR 50 HD2 TYR 50 6.008 -16.603 -4.051 399 HE1 TYR 50 HE1 TYR 50 7.878 -12.097 -3.571 400 HE2 TYR 50 HE2 TYR 50 5.090 -14.759 -5.366 401 HH TYR 50 HH TYR 50 6.663 -11.726 -5.557 402 H GLU 51 H GLU 51 8.241 -14.259 -0.336 403 HA GLU 51 HA GLU 51 10.599 -14.655 1.280 404 HB2 GLU 51 2HB GLU 51 9.762 -12.574 -0.713 405 HB3 GLU 51 1HB GLU 51 10.913 -12.265 0.535 406 HG2 GLU 51 2HG GLU 51 11.227 -14.469 -1.496 407 HG3 GLU 51 1HG GLU 51 11.940 -12.865 -1.677 408 HA PRO 52 HA PRO 52 8.242 -12.433 4.486 409 HB2 PRO 52 2HB PRO 52 10.340 -10.970 5.539 410 HB3 PRO 52 1HB PRO 52 10.083 -12.683 5.867 411 HG2 PRO 52 2HG PRO 52 11.875 -11.395 3.851 412 HG3 PRO 52 1HG PRO 52 12.246 -12.690 5.004 413 HD2 PRO 52 2HD PRO 52 11.741 -13.252 2.478 414 HD3 PRO 52 1HD PRO 52 11.086 -14.276 3.771 415 H SER 53 H SER 53 9.243 -9.771 5.270 416 HA SER 53 HA SER 53 7.573 -8.205 3.583 417 HB2 SER 53 2HB SER 53 9.404 -7.386 5.831 418 HB3 SER 53 1HB SER 53 8.083 -6.426 5.164 419 HG SER 53 HG SER 53 6.737 -8.281 5.717 420 H ASN 54 H ASN 54 9.759 -9.169 2.054 421 HA ASN 54 HA ASN 54 11.848 -7.360 1.568 422 HB2 ASN 54 2HB ASN 54 10.431 -9.508 0.114 423 HB3 ASN 54 1HB ASN 54 11.635 -8.586 -0.734 424 HD21 ASN 54 1HD2 ASN 54 13.119 -10.193 -0.932 425 HD22 ASN 54 2HD2 ASN 54 13.873 -11.046 0.345 426 HA PRO 55 HA PRO 55 10.054 -3.878 -0.402 427 HB2 PRO 55 2HB PRO 55 11.710 -3.816 -2.700 428 HB3 PRO 55 1HB PRO 55 11.937 -2.921 -1.199 429 HG2 PRO 55 2HG PRO 55 13.226 -5.414 -2.121 430 HG3 PRO 55 1HG PRO 55 13.825 -4.185 -1.004 431 HD2 PRO 55 2HD PRO 55 12.981 -6.624 -0.188 432 HD3 PRO 55 1HD PRO 55 12.818 -5.181 0.825 433 H GLU 56 H GLU 56 10.823 -6.478 -2.801 434 HA GLU 56 HA GLU 56 8.846 -5.570 -4.547 435 HB2 GLU 56 2HB GLU 56 10.421 -8.050 -4.407 436 HB3 GLU 56 1HB GLU 56 9.284 -7.677 -5.708 437 HG2 GLU 56 2HG GLU 56 11.715 -6.107 -4.921 438 HG3 GLU 56 1HG GLU 56 11.357 -7.062 -6.362 439 H VAL 57 H VAL 57 8.884 -7.695 -1.868 440 HA VAL 57 HA VAL 57 6.535 -9.141 -2.552 441 HB VAL 57 HB VAL 57 7.874 -8.738 0.144 442 HG11 VAL 57 1HG1 VAL 57 5.730 -10.719 -0.652 443 HG12 VAL 57 2HG1 VAL 57 5.502 -9.335 0.422 444 HG13 VAL 57 3HG1 VAL 57 6.578 -10.662 0.896 445 HG21 VAL 57 3HG2 VAL 57 7.908 -11.091 -1.717 446 HG22 VAL 57 1HG2 VAL 57 8.722 -10.944 -0.162 447 HG23 VAL 57 2HG2 VAL 57 9.216 -9.919 -1.523 448 H ILE 58 H ILE 58 7.347 -6.355 -0.632 449 HA ILE 58 HA ILE 58 4.757 -5.653 0.205 450 HB ILE 58 HB ILE 58 7.169 -3.899 -0.344 451 HG12 ILE 58 2HG1 ILE 58 7.606 -5.539 1.399 452 HG13 ILE 58 1HG1 ILE 58 7.458 -3.928 2.086 453 HG21 ILE 58 1HG2 ILE 58 4.633 -3.202 1.131 454 HG22 ILE 58 2HG2 ILE 58 5.202 -2.499 -0.387 455 HG23 ILE 58 3HG2 ILE 58 6.093 -2.218 1.106 456 HD11 ILE 58 3HD1 ILE 58 6.387 -5.581 3.497 457 HD12 ILE 58 1HD1 ILE 58 5.339 -6.067 2.165 458 HD13 ILE 58 2HD1 ILE 58 5.200 -4.449 2.849 459 H HIS 59 H HIS 59 6.722 -4.687 -2.561 460 HA HIS 59 HA HIS 59 5.004 -3.036 -3.971 461 HB2 HIS 59 2HB HIS 59 7.412 -3.514 -4.560 462 HB3 HIS 59 1HB HIS 59 6.924 -5.083 -5.127 463 HD1 HIS 59 HD1 HIS 59 8.164 -4.159 -7.316 464 HD2 HIS 59 HD2 HIS 59 4.470 -2.467 -6.446 465 HE1 HIS 59 HE1 HIS 59 7.388 -3.060 -9.448 466 HE2 HIS 59 HE2 HIS 59 5.058 -2.313 -8.954 467 H ARG 60 H ARG 60 5.172 -6.552 -4.069 468 HA ARG 60 HA ARG 60 3.327 -7.191 -6.013 469 HB2 ARG 60 2HB ARG 60 4.758 -8.782 -4.852 470 HB3 ARG 60 1HB ARG 60 3.850 -8.541 -3.374 471 HG2 ARG 60 2HG ARG 60 1.887 -9.383 -4.407 472 HG3 ARG 60 1HG ARG 60 2.762 -9.728 -5.918 473 HD2 ARG 60 2HD ARG 60 4.307 -11.116 -4.364 474 HD3 ARG 60 1HD ARG 60 2.982 -11.007 -3.204 475 HE ARG 60 HE ARG 60 3.026 -12.414 -5.728 476 HH11 ARG 60 1HH1 ARG 60 1.170 -11.625 -2.794 477 HH12 ARG 60 2HH1 ARG 60 -0.113 -12.668 -3.189 478 HH21 ARG 60 1HH2 ARG 60 1.266 -13.849 -6.220 479 HH22 ARG 60 2HH2 ARG 60 -0.098 -13.845 -5.186 480 H GLN 61 H GLN 61 2.793 -6.376 -2.667 481 HA GLN 61 HA GLN 61 0.019 -7.084 -2.566 482 HB2 GLN 61 2HB GLN 61 1.642 -5.337 -0.735 483 HB3 GLN 61 1HB GLN 61 0.103 -6.115 -0.362 484 HG2 GLN 61 2HG GLN 61 1.071 -8.237 -0.687 485 HG3 GLN 61 1HG GLN 61 2.618 -7.574 -1.098 486 HE21 GLN 61 1HE2 GLN 61 3.743 -8.453 0.577 487 HE22 GLN 61 2HE2 GLN 61 3.513 -8.070 2.251 488 H LEU 62 H LEU 62 1.847 -4.237 -2.932 489 HA LEU 62 HA LEU 62 -0.448 -2.492 -2.952 490 HB2 LEU 62 2HB LEU 62 2.460 -1.990 -3.510 491 HB3 LEU 62 1HB LEU 62 1.273 -0.750 -3.832 492 HG LEU 62 HG LEU 62 2.292 -0.251 -1.727 493 HD11 LEU 62 1HD1 LEU 62 -0.400 -1.441 -1.157 494 HD12 LEU 62 2HD1 LEU 62 -0.068 0.177 -1.777 495 HD13 LEU 62 3HD1 LEU 62 0.459 -0.271 -0.158 496 HD21 LEU 62 3HD2 LEU 62 2.296 -1.757 0.190 497 HD22 LEU 62 1HD2 LEU 62 3.204 -2.428 -1.164 498 HD23 LEU 62 2HD2 LEU 62 1.583 -3.025 -0.808 499 H ASN 63 H ASN 63 1.480 -4.079 -5.372 500 HA ASN 63 HA ASN 63 0.700 -3.004 -7.757 501 HB2 ASN 63 2HB ASN 63 2.310 -4.839 -7.401 502 HB3 ASN 63 1HB ASN 63 0.950 -5.864 -6.959 503 HD21 ASN 63 1HD2 ASN 63 2.351 -4.112 -9.622 504 HD22 ASN 63 2HD2 ASN 63 1.472 -5.045 -10.782 505 H ARG 64 H ARG 64 -0.764 -5.472 -5.907 506 HA ARG 64 HA ARG 64 -2.988 -6.183 -7.335 507 HB2 ARG 64 2HB ARG 64 -2.508 -6.051 -4.383 508 HB3 ARG 64 1HB ARG 64 -4.054 -6.559 -5.019 509 HG2 ARG 64 2HG ARG 64 -1.490 -7.905 -5.795 510 HG3 ARG 64 1HG ARG 64 -2.420 -8.385 -4.370 511 HD2 ARG 64 2HD ARG 64 -4.361 -8.702 -5.850 512 HD3 ARG 64 1HD ARG 64 -3.334 -8.377 -7.243 513 HE ARG 64 HE ARG 64 -2.948 -10.685 -5.407 514 HH11 ARG 64 1HH1 ARG 64 -2.694 -9.304 -8.660 515 HH12 ARG 64 2HH1 ARG 64 -2.164 -10.743 -9.373 516 HH21 ARG 64 1HH2 ARG 64 -2.198 -12.629 -6.359 517 HH22 ARG 64 2HH2 ARG 64 -1.904 -12.697 -8.045 518 H LEU 65 H LEU 65 -2.607 -3.392 -5.202 519 HA LEU 65 HA LEU 65 -5.383 -2.662 -5.140 520 HB2 LEU 65 2HB LEU 65 -2.955 -1.004 -4.584 521 HB3 LEU 65 1HB LEU 65 -4.603 -0.593 -4.150 522 HG LEU 65 HG LEU 65 -2.985 -2.878 -3.040 523 HD11 LEU 65 1HD1 LEU 65 -4.054 -0.366 -1.887 524 HD12 LEU 65 2HD1 LEU 65 -2.348 -0.667 -2.282 525 HD13 LEU 65 3HD1 LEU 65 -3.161 -1.607 -1.004 526 HD21 LEU 65 3HD2 LEU 65 -4.868 -3.178 -1.537 527 HD22 LEU 65 1HD2 LEU 65 -5.327 -3.456 -3.219 528 HD23 LEU 65 2HD2 LEU 65 -5.758 -1.940 -2.428 529 H PHE 66 H PHE 66 -2.616 -1.756 -7.036 530 HA PHE 66 HA PHE 66 -3.840 0.362 -8.448 531 HB2 PHE 66 2HB PHE 66 -1.387 0.067 -8.331 532 HB3 PHE 66 1HB PHE 66 -1.520 -1.432 -9.236 533 HD1 PHE 66 HD2 PHE 66 -2.357 2.187 -9.521 534 HD2 PHE 66 HD1 PHE 66 -1.177 -1.382 -11.514 535 HE1 PHE 66 HE2 PHE 66 -2.097 3.447 -11.618 536 HE2 PHE 66 HE1 PHE 66 -0.914 -0.129 -13.610 537 HZ PHE 66 HZ PHE 66 -1.375 2.287 -13.664 538 H ALA 67 H ALA 67 -3.911 -3.060 -8.699 539 HA ALA 67 HA ALA 67 -5.067 -3.191 -11.301 540 HB1 ALA 67 3HB ALA 67 -3.824 -5.080 -10.345 541 HB2 ALA 67 1HB ALA 67 -5.463 -5.538 -10.812 542 HB3 ALA 67 2HB ALA 67 -5.072 -5.265 -9.113 543 H GLN 68 H GLN 68 -6.380 -2.860 -7.975 544 HA GLN 68 HA GLN 68 -9.029 -3.445 -8.650 545 HB2 GLN 68 2HB GLN 68 -7.755 -1.834 -6.457 546 HB3 GLN 68 1HB GLN 68 -9.476 -2.007 -6.629 547 HG2 GLN 68 2HG GLN 68 -7.495 -3.916 -5.464 548 HG3 GLN 68 1HG GLN 68 -9.091 -3.524 -5.084 549 HE21 GLN 68 1HE2 GLN 68 -7.310 -5.527 -7.308 550 HE22 GLN 68 2HE2 GLN 68 -8.642 -6.544 -7.714 551 H GLY 69 H GLY 69 -7.251 -0.433 -8.123 552 HA2 GLY 69 2HA GLY 69 -8.761 1.150 -10.062 553 HA3 GLY 69 1HA GLY 69 -9.273 1.301 -8.420 554 H MET 70 H MET 70 -7.661 2.826 -10.502 555 HA MET 70 HA MET 70 -5.339 3.608 -9.066 556 HB2 MET 70 2HB MET 70 -7.026 5.155 -11.060 557 HB3 MET 70 1HB MET 70 -5.412 5.601 -10.539 558 HG2 MET 70 2HG MET 70 -5.179 4.607 -12.671 559 HG3 MET 70 1HG MET 70 -4.630 3.439 -11.457 560 HE1 MET 70 3HE MET 70 -4.701 1.589 -13.364 561 HE2 MET 70 1HE MET 70 -5.368 2.717 -14.543 562 HE3 MET 70 2HE MET 70 -6.149 1.156 -14.271 563 H ALA 71 H ALA 71 -8.654 4.309 -9.142 564 HA ALA 71 HA ALA 71 -8.688 6.544 -7.335 565 HB1 ALA 71 3HB ALA 71 -10.479 6.209 -8.935 566 HB2 ALA 71 1HB ALA 71 -11.149 6.038 -7.305 567 HB3 ALA 71 2HB ALA 71 -10.779 4.603 -8.291 568 H THR 72 H THR 72 -8.755 3.096 -7.191 569 HA THR 72 HA THR 72 -9.611 2.855 -4.492 570 HB THR 72 HB THR 72 -8.199 0.900 -6.343 571 HG1 THR 72 HG1 THR 72 -10.851 1.473 -5.667 572 HG21 THR 72 3HG2 THR 72 -7.770 0.229 -3.990 573 HG22 THR 72 1HG2 THR 72 -8.939 -0.882 -4.691 574 HG23 THR 72 2HG2 THR 72 -9.481 0.389 -3.630 575 H TRP 73 H TRP 73 -6.532 3.138 -6.119 576 HA TRP 73 HA TRP 73 -4.869 2.756 -3.897 577 HB2 TRP 73 2HB TRP 73 -4.082 2.851 -6.260 578 HB3 TRP 73 1HB TRP 73 -4.420 4.578 -6.281 579 HD1 TRP 73 HD1 TRP 73 -2.604 6.164 -5.249 580 HE1 TRP 73 HE1 TRP 73 -0.257 5.788 -4.266 581 HE3 TRP 73 HE3 TRP 73 -2.703 1.089 -4.894 582 HZ2 TRP 73 HZ2 TRP 73 1.333 3.631 -3.463 583 HZ3 TRP 73 HZ3 TRP 73 -0.726 -0.049 -4.023 584 HH2 TRP 73 HH2 TRP 73 1.259 1.209 -3.320 585 H LYS 74 H LYS 74 -6.309 5.717 -5.271 586 HA LYS 74 HA LYS 74 -5.376 7.534 -3.404 587 HB2 LYS 74 2HB LYS 74 -8.048 7.694 -4.848 588 HB3 LYS 74 1HB LYS 74 -7.119 9.045 -4.200 589 HG2 LYS 74 2HG LYS 74 -5.309 8.385 -5.805 590 HG3 LYS 74 1HG LYS 74 -6.470 7.277 -6.501 591 HD2 LYS 74 2HD LYS 74 -7.983 9.144 -6.962 592 HD3 LYS 74 1HD LYS 74 -6.785 10.262 -6.289 593 HE2 LYS 74 2HE LYS 74 -5.155 9.428 -7.897 594 HE3 LYS 74 1HE LYS 74 -6.412 8.424 -8.619 595 HZ1 LYS 74 3HZ LYS 74 -7.636 10.626 -9.034 596 HZ2 LYS 74 1HZ LYS 74 -6.209 10.386 -9.925 597 HZ3 LYS 74 2HZ LYS 74 -6.156 11.367 -8.610 598 H SER 75 H SER 75 -8.221 5.390 -3.203 599 HA SER 75 HA SER 75 -9.239 6.465 -0.877 600 HB2 SER 75 2HB SER 75 -9.495 3.814 -2.271 601 HB3 SER 75 1HB SER 75 -10.543 4.418 -0.993 602 HG SER 75 HG SER 75 -10.251 5.395 -3.644 603 H PHE 76 H PHE 76 -7.176 3.639 -1.614 604 HA PHE 76 HA PHE 76 -6.907 2.540 0.910 605 HB2 PHE 76 2HB PHE 76 -6.133 1.341 -1.017 606 HB3 PHE 76 1HB PHE 76 -4.974 2.603 -1.405 607 HD1 PHE 76 HD2 PHE 76 -5.765 -0.034 1.069 608 HD2 PHE 76 HD1 PHE 76 -2.807 2.584 -0.496 609 HE1 PHE 76 HE2 PHE 76 -4.042 -1.209 2.369 610 HE2 PHE 76 HE1 PHE 76 -1.078 1.420 0.803 611 HZ PHE 76 HZ PHE 76 -1.692 -0.480 2.234 612 H ILE 77 H ILE 77 -4.848 4.921 -0.660 613 HA ILE 77 HA ILE 77 -2.995 5.093 1.436 614 HB ILE 77 HB ILE 77 -3.627 7.174 -0.664 615 HG12 ILE 77 2HG1 ILE 77 -2.913 4.977 -1.588 616 HG13 ILE 77 1HG1 ILE 77 -1.755 6.257 -1.914 617 HG21 ILE 77 1HG2 ILE 77 -2.399 8.016 1.326 618 HG22 ILE 77 2HG2 ILE 77 -1.527 8.132 -0.191 619 HG23 ILE 77 3HG2 ILE 77 -1.101 6.862 0.965 620 HD11 ILE 77 3HD1 ILE 77 -0.634 4.186 -1.313 621 HD12 ILE 77 1HD1 ILE 77 -1.497 4.139 0.226 622 HD13 ILE 77 2HD1 ILE 77 -0.337 5.428 -0.099 623 H ASN 78 H ASN 78 -6.023 6.719 0.900 624 HA ASN 78 HA ASN 78 -5.873 8.763 2.821 625 HB2 ASN 78 2HB ASN 78 -7.748 8.644 1.261 626 HB3 ASN 78 1HB ASN 78 -8.245 7.098 1.930 627 HD21 ASN 78 1HD2 ASN 78 -7.268 10.061 3.657 628 HD22 ASN 78 2HD2 ASN 78 -8.783 10.215 4.480 629 H ASP 79 H ASP 79 -6.886 5.385 3.078 630 HA ASP 79 HA ASP 79 -7.429 5.515 5.885 631 HB2 ASP 79 2HB ASP 79 -7.043 3.129 4.080 632 HB3 ASP 79 1HB ASP 79 -7.450 3.053 5.789 633 H LEU 80 H LEU 80 -4.821 4.407 3.903 634 HA LEU 80 HA LEU 80 -3.046 3.226 5.641 635 HB2 LEU 80 2HB LEU 80 -2.899 3.501 3.196 636 HB3 LEU 80 1HB LEU 80 -2.663 5.175 3.458 637 HG LEU 80 HG LEU 80 -0.644 4.025 2.650 638 HD11 LEU 80 1HD1 LEU 80 -0.249 5.150 5.403 639 HD12 LEU 80 2HD1 LEU 80 -0.247 6.041 3.881 640 HD13 LEU 80 3HD1 LEU 80 1.020 4.860 4.212 641 HD21 LEU 80 3HD2 LEU 80 -0.798 2.614 5.241 642 HD22 LEU 80 1HD2 LEU 80 0.546 2.502 4.082 643 HD23 LEU 80 2HD2 LEU 80 -1.088 1.955 3.628 644 H CYS 81 H CYS 81 -3.233 6.658 4.817 645 HA CYS 81 HA CYS 81 -1.360 7.554 6.745 646 HB2 CYS 81 2HB CYS 81 -3.617 9.112 5.475 647 HB3 CYS 81 1HB CYS 81 -2.223 9.809 6.292 648 HG CYS 81 HG CYS 81 -2.291 8.103 3.364 649 H PHE 82 H PHE 82 -4.828 7.082 6.898 650 HA PHE 82 HA PHE 82 -5.232 8.532 9.321 651 HB2 PHE 82 2HB PHE 82 -7.002 8.143 7.578 652 HB3 PHE 82 1HB PHE 82 -6.988 6.454 8.020 653 HD1 PHE 82 HD2 PHE 82 -7.701 9.832 9.333 654 HD2 PHE 82 HD1 PHE 82 -8.264 5.640 9.815 655 HE1 PHE 82 HE2 PHE 82 -9.393 10.261 11.064 656 HE2 PHE 82 HE1 PHE 82 -9.956 6.061 11.546 657 HZ PHE 82 HZ PHE 82 -10.523 8.374 12.175 658 H GLU 83 H GLU 83 -5.178 5.082 8.531 659 HA GLU 83 HA GLU 83 -5.707 4.276 11.207 660 HB2 GLU 83 2HB GLU 83 -4.814 2.573 8.887 661 HB3 GLU 83 1HB GLU 83 -5.587 2.022 10.363 662 HG2 GLU 83 2HG GLU 83 -7.583 3.453 9.663 663 HG3 GLU 83 1HG GLU 83 -6.785 3.616 8.118 664 H LEU 84 H LEU 84 -2.803 4.811 9.372 665 HA LEU 84 HA LEU 84 -1.259 3.324 11.320 666 HB2 LEU 84 2HB LEU 84 -0.374 4.823 8.868 667 HB3 LEU 84 1HB LEU 84 0.708 3.979 9.953 668 HG LEU 84 HG LEU 84 -1.443 2.718 8.250 669 HD11 LEU 84 1HD1 LEU 84 1.557 2.651 8.090 670 HD12 LEU 84 2HD1 LEU 84 0.476 3.483 6.980 671 HD13 LEU 84 3HD1 LEU 84 0.462 1.720 7.071 672 HD21 LEU 84 3HD2 LEU 84 -0.487 0.580 9.008 673 HD22 LEU 84 1HD2 LEU 84 -1.183 1.490 10.349 674 HD23 LEU 84 2HD2 LEU 84 0.565 1.452 10.120 675 H ASP 85 H ASP 85 -2.639 6.219 11.414 676 HA ASP 85 HA ASP 85 -2.491 7.920 12.916 677 HB2 ASP 85 2HB ASP 85 -1.787 6.393 14.618 678 HB3 ASP 85 1HB ASP 85 -0.161 6.314 13.969 679 H VAL 86 H VAL 86 0.632 7.150 11.573 680 HA VAL 86 HA VAL 86 1.973 9.543 11.944 681 HB VAL 86 HB VAL 86 2.347 7.615 9.645 682 HG11 VAL 86 1HG1 VAL 86 4.220 9.631 10.854 683 HG12 VAL 86 2HG1 VAL 86 3.523 9.676 9.233 684 HG13 VAL 86 3HG1 VAL 86 4.683 8.416 9.667 685 HG21 VAL 86 3HG2 VAL 86 4.067 6.565 11.074 686 HG22 VAL 86 1HG2 VAL 86 2.450 6.439 11.767 687 HG23 VAL 86 2HG2 VAL 86 3.588 7.627 12.397 688 HA PRO 87 HA PRO 87 0.103 12.040 8.674 689 HB2 PRO 87 2HB PRO 87 1.476 14.337 9.567 690 HB3 PRO 87 1HB PRO 87 -0.188 13.898 9.950 691 HG2 PRO 87 2HG PRO 87 1.974 14.006 11.749 692 HG3 PRO 87 1HG PRO 87 0.390 13.284 12.060 693 HD2 PRO 87 2HD PRO 87 2.960 11.988 11.334 694 HD3 PRO 87 1HD PRO 87 1.592 11.384 12.305 695 H LEU 88 H LEU 88 1.187 11.315 6.873 696 HA LEU 88 HA LEU 88 3.969 11.582 6.478 697 HB2 LEU 88 2HB LEU 88 1.768 11.101 4.446 698 HB3 LEU 88 1HB LEU 88 3.476 10.949 4.132 699 HG LEU 88 HG LEU 88 3.498 9.093 5.872 700 HD11 LEU 88 1HD1 LEU 88 1.411 7.902 6.281 701 HD12 LEU 88 2HD1 LEU 88 0.520 9.224 5.529 702 HD13 LEU 88 3HD1 LEU 88 1.434 9.504 7.013 703 HD21 LEU 88 3HD2 LEU 88 2.649 7.418 4.293 704 HD22 LEU 88 1HD2 LEU 88 3.649 8.637 3.503 705 HD23 LEU 88 2HD2 LEU 88 1.893 8.708 3.359 706 H ASP 89 H ASP 89 1.162 13.245 5.134 707 HA ASP 89 HA ASP 89 2.055 15.866 5.187 708 HB2 ASP 89 2HB ASP 89 3.816 15.168 3.538 709 HB3 ASP 89 1HB ASP 89 2.553 14.593 2.460 710 H MET 90 H MET 90 0.620 13.544 2.996 711 HA MET 90 HA MET 90 -2.066 14.220 3.328 712 HB2 MET 90 2HB MET 90 -1.268 16.271 2.066 713 HB3 MET 90 1HB MET 90 -0.730 15.220 0.773 714 HG2 MET 90 2HG MET 90 -3.104 14.515 0.477 715 HG3 MET 90 1HG MET 90 -3.554 15.743 1.661 716 HE1 MET 90 3HE MET 90 -4.741 17.410 -1.654 717 HE2 MET 90 1HE MET 90 -5.175 16.969 -0.002 718 HE3 MET 90 2HE MET 90 -4.838 15.711 -1.187 719 H GLU 91 H GLU 91 -3.284 12.640 1.979 720 HA GLU 91 HA GLU 91 -1.709 10.327 1.410 721 HB2 GLU 91 2HB GLU 91 -3.875 9.313 0.639 722 HB3 GLU 91 1HB GLU 91 -3.880 9.896 2.291 723 HG2 GLU 91 2HG GLU 91 -4.981 11.545 0.039 724 HG3 GLU 91 1HG GLU 91 -5.942 10.288 0.810 725 H ILE 92 H ILE 92 -3.246 12.703 -0.554 726 HA ILE 92 HA ILE 92 -3.192 11.493 -3.142 727 HB ILE 92 HB ILE 92 -3.154 14.355 -2.148 728 HG12 ILE 92 2HG1 ILE 92 -5.138 13.160 -1.473 729 HG13 ILE 92 1HG1 ILE 92 -5.543 14.337 -2.716 730 HG21 ILE 92 1HG2 ILE 92 -3.599 13.354 -4.905 731 HG22 ILE 92 2HG2 ILE 92 -2.291 14.382 -4.278 732 HG23 ILE 92 3HG2 ILE 92 -3.951 14.994 -4.339 733 HD11 ILE 92 3HD1 ILE 92 -6.743 12.304 -3.131 734 HD12 ILE 92 1HD1 ILE 92 -5.241 11.372 -3.075 735 HD13 ILE 92 2HD1 ILE 92 -5.514 12.528 -4.375 736 HA PRO 93 HA PRO 93 1.394 13.391 -3.789 737 HB2 PRO 93 2HB PRO 93 2.127 12.563 -1.013 738 HB3 PRO 93 1HB PRO 93 2.835 13.845 -1.987 739 HG2 PRO 93 2HG PRO 93 1.121 14.461 -0.031 740 HG3 PRO 93 1HG PRO 93 1.028 15.301 -1.588 741 HD2 PRO 93 2HD PRO 93 -0.801 13.268 -0.504 742 HD3 PRO 93 1HD PRO 93 -1.090 14.621 -1.594 743 H LEU 94 H LEU 94 0.539 10.879 -1.481 744 HA LEU 94 HA LEU 94 2.390 8.898 -2.407 745 HB2 LEU 94 2HB LEU 94 0.097 8.985 -0.523 746 HB3 LEU 94 1HB LEU 94 0.800 7.436 -0.942 747 HG LEU 94 HG LEU 94 1.443 8.243 1.217 748 HD11 LEU 94 1HD1 LEU 94 3.702 8.240 -0.768 749 HD12 LEU 94 2HD1 LEU 94 3.016 6.851 0.077 750 HD13 LEU 94 3HD1 LEU 94 3.916 8.075 0.976 751 HD21 LEU 94 3HD2 LEU 94 2.920 10.208 1.515 752 HD22 LEU 94 1HD2 LEU 94 1.320 10.643 0.914 753 HD23 LEU 94 2HD2 LEU 94 2.695 10.605 -0.188 754 H VAL 95 H VAL 95 -0.937 9.847 -3.142 755 HA VAL 95 HA VAL 95 -1.570 7.413 -4.293 756 HB VAL 95 HB VAL 95 -3.493 8.236 -4.808 757 HG11 VAL 95 1HG1 VAL 95 -2.900 9.670 -2.380 758 HG12 VAL 95 2HG1 VAL 95 -3.544 8.061 -2.638 759 HG13 VAL 95 3HG1 VAL 95 -4.525 9.471 -3.041 760 HG21 VAL 95 3HG2 VAL 95 -3.202 9.976 -6.312 761 HG22 VAL 95 1HG2 VAL 95 -2.614 11.078 -5.056 762 HG23 VAL 95 2HG2 VAL 95 -4.309 10.545 -5.075 763 H SER 96 H SER 96 -0.168 10.189 -5.269 764 HA SER 96 HA SER 96 -0.249 9.876 -8.150 765 HB2 SER 96 2HB SER 96 -0.060 12.012 -6.759 766 HB3 SER 96 1HB SER 96 1.634 11.629 -6.605 767 HG SER 96 HG SER 96 1.531 12.890 -8.314 768 H ILE 97 H ILE 97 1.387 8.165 -5.912 769 HA ILE 97 HA ILE 97 4.091 8.325 -6.503 770 HB ILE 97 HB ILE 97 3.034 7.240 -4.498 771 HG12 ILE 97 2HG1 ILE 97 5.032 5.435 -5.862 772 HG13 ILE 97 1HG1 ILE 97 5.463 6.975 -5.125 773 HG21 ILE 97 1HG2 ILE 97 1.370 5.845 -5.555 774 HG22 ILE 97 2HG2 ILE 97 2.493 4.820 -4.658 775 HG23 ILE 97 3HG2 ILE 97 2.624 4.943 -6.410 776 HD11 ILE 97 3HD1 ILE 97 4.221 4.643 -3.702 777 HD12 ILE 97 1HD1 ILE 97 4.700 6.172 -2.969 778 HD13 ILE 97 2HD1 ILE 97 5.932 5.103 -3.642 779 H TRP 98 H TRP 98 1.610 6.556 -8.186 780 HA TRP 98 HA TRP 98 3.573 5.059 -9.704 781 HB2 TRP 98 2HB TRP 98 1.472 3.986 -10.732 782 HB3 TRP 98 1HB TRP 98 1.849 3.630 -9.054 783 HD1 TRP 98 HD1 TRP 98 0.018 4.103 -7.328 784 HE1 TRP 98 HE1 TRP 98 -2.311 5.149 -7.389 785 HE3 TRP 98 HE3 TRP 98 0.069 5.957 -12.085 786 HZ2 TRP 98 HZ2 TRP 98 -3.931 6.566 -9.189 787 HZ3 TRP 98 HZ3 TRP 98 -1.919 7.146 -12.900 788 HH2 TRP 98 HH2 TRP 98 -3.873 7.441 -11.483 789 H GLY 99 H GLY 99 2.824 8.025 -9.956 790 HA2 GLY 99 2HA GLY 99 1.902 8.227 -12.674 791 HA3 GLY 99 1HA GLY 99 2.428 9.547 -11.637 792 HA PRO 100 HA PRO 100 5.774 9.779 -14.692 793 HB2 PRO 100 2HB PRO 100 6.766 11.590 -12.535 794 HB3 PRO 100 1HB PRO 100 6.702 11.863 -14.281 795 HG2 PRO 100 2HG PRO 100 4.922 13.020 -12.716 796 HG3 PRO 100 1HG PRO 100 4.416 12.305 -14.259 797 HD2 PRO 100 2HD PRO 100 4.062 11.261 -11.483 798 HD3 PRO 100 1HD PRO 100 2.962 11.182 -12.871 799 H ARG 101 H ARG 101 7.435 8.518 -14.861 800 HA ARG 101 HA ARG 101 8.815 6.875 -14.486 801 HB2 ARG 101 2HB ARG 101 10.873 7.389 -13.205 802 HB3 ARG 101 1HB ARG 101 10.408 8.674 -14.296 803 HG2 ARG 101 2HG ARG 101 9.504 9.920 -12.355 804 HG3 ARG 101 1HG ARG 101 10.092 8.641 -11.296 805 HD2 ARG 101 2HD ARG 101 11.714 10.460 -13.066 806 HD3 ARG 101 1HD ARG 101 11.716 10.409 -11.307 807 HE ARG 101 HE ARG 101 12.813 8.347 -13.093 808 HH11 ARG 101 1HH1 ARG 101 12.696 9.820 -9.876 809 HH12 ARG 101 2HH1 ARG 101 14.024 8.957 -9.267 810 HH21 ARG 101 1HH2 ARG 101 14.686 7.239 -12.314 811 HH22 ARG 101 2HH2 ARG 101 15.251 7.494 -10.727 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 -0.329 17.538 4.475 2 H2 GLY 1 2H GLY 1 -1.293 17.963 5.723 3 H3 GLY 1 3H GLY 1 0.392 17.892 5.985 4 HA2 GLY 1 1HA GLY 1 -0.318 20.185 5.776 5 HA3 GLY 1 2HA GLY 1 0.516 19.741 4.282 6 HA PRO 2 HA PRO 2 -4.349 20.492 4.106 7 HB2 PRO 2 2HB PRO 2 -3.734 23.339 3.586 8 HB3 PRO 2 1HB PRO 2 -5.057 22.632 4.523 9 HG2 PRO 2 2HG PRO 2 -3.005 23.800 5.748 10 HG3 PRO 2 1HG PRO 2 -3.728 22.322 6.402 11 HD2 PRO 2 2HD PRO 2 -1.181 22.667 4.875 12 HD3 PRO 2 1HD PRO 2 -1.549 21.618 6.262 13 H LEU 3 H LEU 3 -4.276 19.369 2.254 14 HA LEU 3 HA LEU 3 -3.685 20.873 -0.191 15 HB2 LEU 3 2HB LEU 3 -3.700 17.873 0.212 16 HB3 LEU 3 1HB LEU 3 -3.365 18.697 -1.290 17 HG LEU 3 HG LEU 3 -1.645 18.782 1.187 18 HD11 LEU 3 1HD1 LEU 3 -1.273 17.359 -1.443 19 HD12 LEU 3 2HD1 LEU 3 -1.609 16.609 0.115 20 HD13 LEU 3 3HD1 LEU 3 -0.081 17.443 -0.150 21 HD21 LEU 3 3HD2 LEU 3 -1.476 20.857 -0.092 22 HD22 LEU 3 1HD2 LEU 3 -1.188 19.936 -1.570 23 HD23 LEU 3 2HD2 LEU 3 -0.004 19.904 -0.266 24 H GLY 4 H GLY 4 -5.514 17.946 0.606 25 HA2 GLY 4 2HA GLY 4 -7.788 17.544 0.492 26 HA3 GLY 4 1HA GLY 4 -8.024 19.232 0.054 27 H SER 5 H SER 5 -6.793 19.674 -2.139 28 HA SER 5 HA SER 5 -8.282 18.632 -4.202 29 HB2 SER 5 2HB SER 5 -5.495 19.758 -4.371 30 HB3 SER 5 1HB SER 5 -6.772 19.845 -5.588 31 HG SER 5 HG SER 5 -7.975 21.123 -4.184 32 H MET 6 H MET 6 -8.137 16.757 -5.324 33 HA MET 6 HA MET 6 -6.087 14.909 -4.660 34 HB2 MET 6 2HB MET 6 -8.417 14.709 -6.545 35 HB3 MET 6 1HB MET 6 -7.212 13.434 -6.417 36 HG2 MET 6 2HG MET 6 -7.682 13.121 -4.122 37 HG3 MET 6 1HG MET 6 -8.830 14.473 -4.107 38 HE1 MET 6 3HE MET 6 -11.114 11.378 -3.561 39 HE2 MET 6 1HE MET 6 -10.669 12.990 -2.999 40 HE3 MET 6 2HE MET 6 -9.504 11.673 -2.905 41 H ASP 7 H ASP 7 -6.151 17.384 -6.795 42 HA ASP 7 HA ASP 7 -4.054 16.167 -8.504 43 HB2 ASP 7 2HB ASP 7 -5.712 18.666 -8.767 44 HB3 ASP 7 1HB ASP 7 -4.308 18.355 -9.768 45 H ALA 8 H ALA 8 -3.915 17.096 -5.654 46 HA ALA 8 HA ALA 8 -2.061 19.297 -5.683 47 HB1 ALA 8 3HB ALA 8 -3.396 18.846 -3.712 48 HB2 ALA 8 1HB ALA 8 -1.680 18.694 -3.321 49 HB3 ALA 8 2HB ALA 8 -2.675 17.246 -3.556 50 H GLU 9 H GLU 9 -2.023 16.105 -6.250 51 HA GLU 9 HA GLU 9 0.444 15.166 -5.422 52 HB2 GLU 9 2HB GLU 9 0.043 13.474 -7.254 53 HB3 GLU 9 1HB GLU 9 -1.066 13.511 -5.892 54 HG2 GLU 9 2HG GLU 9 -2.606 13.385 -7.652 55 HG3 GLU 9 1HG GLU 9 -2.371 15.130 -7.518 56 H SER 10 H SER 10 -0.421 16.532 -8.561 57 HA SER 10 HA SER 10 2.201 16.126 -9.592 58 HB2 SER 10 2HB SER 10 -0.185 17.679 -10.552 59 HB3 SER 10 1HB SER 10 1.333 17.601 -11.478 60 HG SER 10 HG SER 10 -0.479 15.540 -10.762 61 H ILE 11 H ILE 11 0.801 18.387 -7.549 62 HA ILE 11 HA ILE 11 2.359 20.631 -8.401 63 HB ILE 11 HB ILE 11 1.002 20.434 -5.747 64 HG12 ILE 11 2HG1 ILE 11 -0.848 19.802 -7.054 65 HG13 ILE 11 1HG1 ILE 11 -0.923 21.569 -6.949 66 HG21 ILE 11 1HG2 ILE 11 1.526 22.743 -7.601 67 HG22 ILE 11 2HG2 ILE 11 2.386 22.359 -6.109 68 HG23 ILE 11 3HG2 ILE 11 0.689 22.844 -6.048 69 HD11 ILE 11 3HD1 ILE 11 -0.031 21.679 -9.270 70 HD12 ILE 11 1HD1 ILE 11 -1.569 20.784 -9.111 71 HD13 ILE 11 2HD1 ILE 11 -0.091 19.888 -9.245 72 H ARG 12 H ARG 12 2.236 18.319 -5.754 73 HA ARG 12 HA ARG 12 4.691 19.343 -4.560 74 HB2 ARG 12 2HB ARG 12 2.625 17.430 -3.537 75 HB3 ARG 12 1HB ARG 12 3.994 18.042 -2.626 76 HG2 ARG 12 2HG ARG 12 1.703 19.685 -3.707 77 HG3 ARG 12 1HG ARG 12 1.928 19.212 -2.022 78 HD2 ARG 12 2HD ARG 12 3.975 20.494 -1.912 79 HD3 ARG 12 1HD ARG 12 3.844 20.914 -3.618 80 HE ARG 12 HE ARG 12 1.526 21.743 -2.503 81 HH11 ARG 12 1HH1 ARG 12 4.970 22.442 -1.892 82 HH12 ARG 12 2HH1 ARG 12 4.683 24.042 -1.407 83 HH21 ARG 12 1HH2 ARG 12 1.176 23.951 -1.806 84 HH22 ARG 12 2HH2 ARG 12 2.488 24.925 -1.354 85 H LEU 13 H LEU 13 4.103 17.315 -6.871 86 HA LEU 13 HA LEU 13 4.521 14.733 -6.487 87 HB2 LEU 13 2HB LEU 13 4.204 15.979 -8.649 88 HB3 LEU 13 1HB LEU 13 5.927 16.225 -8.689 89 HG LEU 13 HG LEU 13 5.102 14.427 -10.210 90 HD11 LEU 13 1HD1 LEU 13 6.776 12.735 -9.691 91 HD12 LEU 13 2HD1 LEU 13 7.009 13.462 -8.102 92 HD13 LEU 13 3HD1 LEU 13 7.415 14.373 -9.554 93 HD21 LEU 13 3HD2 LEU 13 4.419 12.275 -9.297 94 HD22 LEU 13 1HD2 LEU 13 3.307 13.557 -8.821 95 HD23 LEU 13 2HD2 LEU 13 4.487 12.934 -7.664 96 H ASN 14 H ASN 14 5.828 13.435 -5.591 97 HA ASN 14 HA ASN 14 8.710 13.628 -5.769 98 HB2 ASN 14 2HB ASN 14 7.971 14.643 -3.518 99 HB3 ASN 14 1HB ASN 14 7.220 13.103 -3.153 100 HD21 ASN 14 1HD2 ASN 14 9.284 14.555 -1.752 101 HD22 ASN 14 2HD2 ASN 14 10.641 13.522 -1.596 102 H ASN 15 H ASN 15 9.511 11.379 -5.540 103 HA ASN 15 HA ASN 15 7.328 9.438 -5.888 104 HB2 ASN 15 2HB ASN 15 8.105 10.055 -8.099 105 HB3 ASN 15 1HB ASN 15 9.769 9.721 -7.648 106 HD21 ASN 15 1HD2 ASN 15 10.049 8.241 -9.276 107 HD22 ASN 15 2HD2 ASN 15 9.318 6.678 -9.254 108 H GLU 16 H GLU 16 10.885 9.314 -5.890 109 HA GLU 16 HA GLU 16 10.922 6.681 -4.914 110 HB2 GLU 16 2HB GLU 16 13.142 8.702 -5.028 111 HB3 GLU 16 1HB GLU 16 13.352 6.979 -4.740 112 HG2 GLU 16 2HG GLU 16 12.322 6.529 -6.945 113 HG3 GLU 16 1HG GLU 16 12.258 8.267 -7.227 114 H ASN 17 H ASN 17 11.289 9.736 -3.260 115 HA ASN 17 HA ASN 17 12.261 8.697 -0.842 116 HB2 ASN 17 2HB ASN 17 10.699 11.233 -1.299 117 HB3 ASN 17 1HB ASN 17 11.490 10.817 0.220 118 HD21 ASN 17 1HD2 ASN 17 11.908 11.814 -3.051 119 HD22 ASN 17 2HD2 ASN 17 13.601 12.105 -2.897 120 H LEU 18 H LEU 18 9.103 9.286 -2.107 121 HA LEU 18 HA LEU 18 7.655 8.770 0.297 122 HB2 LEU 18 2HB LEU 18 6.718 8.886 -2.565 123 HB3 LEU 18 1HB LEU 18 5.688 8.863 -1.150 124 HG LEU 18 HG LEU 18 7.580 11.079 -1.921 125 HD11 LEU 18 1HD1 LEU 18 4.582 10.871 -1.995 126 HD12 LEU 18 2HD1 LEU 18 5.672 11.007 -3.371 127 HD13 LEU 18 3HD1 LEU 18 5.492 12.354 -2.246 128 HD21 LEU 18 3HD2 LEU 18 7.402 10.908 0.508 129 HD22 LEU 18 1HD2 LEU 18 5.640 10.879 0.387 130 HD23 LEU 18 2HD2 LEU 18 6.537 12.324 -0.079 131 H TRP 19 H TRP 19 8.447 6.990 -2.642 132 HA TRP 19 HA TRP 19 6.926 4.704 -2.058 133 HB2 TRP 19 2HB TRP 19 7.871 5.254 -4.314 134 HB3 TRP 19 1HB TRP 19 9.461 4.834 -3.703 135 HD1 TRP 19 HD1 TRP 19 10.152 2.532 -4.586 136 HE1 TRP 19 HE1 TRP 19 8.975 0.271 -5.000 137 HE3 TRP 19 HE3 TRP 19 5.374 3.792 -3.210 138 HZ2 TRP 19 HZ2 TRP 19 6.414 -0.820 -4.764 139 HZ3 TRP 19 HZ3 TRP 19 3.629 2.071 -3.333 140 HH2 TRP 19 HH2 TRP 19 4.135 -0.186 -4.095 141 H ALA 20 H ALA 20 10.284 5.537 -1.339 142 HA ALA 20 HA ALA 20 11.029 3.114 -0.164 143 HB1 ALA 20 3HB ALA 20 12.012 5.886 0.521 144 HB2 ALA 20 1HB ALA 20 12.616 4.849 -0.779 145 HB3 ALA 20 2HB ALA 20 12.810 4.346 0.901 146 H TRP 21 H TRP 21 9.505 5.973 1.209 147 HA TRP 21 HA TRP 21 9.395 5.177 3.889 148 HB2 TRP 21 2HB TRP 21 8.910 7.431 3.478 149 HB3 TRP 21 1HB TRP 21 7.763 7.063 2.198 150 HD1 TRP 21 HD1 TRP 21 5.318 7.341 2.874 151 HE1 TRP 21 HE1 TRP 21 3.993 7.415 5.072 152 HE3 TRP 21 HE3 TRP 21 9.117 6.329 6.142 153 HZ2 TRP 21 HZ2 TRP 21 4.482 7.081 7.825 154 HZ3 TRP 21 HZ3 TRP 21 8.597 6.221 8.538 155 HH2 TRP 21 HH2 TRP 21 6.319 6.587 9.356 156 H LEU 22 H LEU 22 7.045 4.814 1.290 157 HA LEU 22 HA LEU 22 5.024 3.504 2.697 158 HB2 LEU 22 2HB LEU 22 4.882 4.550 0.407 159 HB3 LEU 22 1HB LEU 22 5.794 3.211 -0.225 160 HG LEU 22 HG LEU 22 3.359 3.162 -0.744 161 HD11 LEU 22 1HD1 LEU 22 4.578 1.095 -0.859 162 HD12 LEU 22 2HD1 LEU 22 2.955 0.809 -0.227 163 HD13 LEU 22 3HD1 LEU 22 4.338 0.821 0.867 164 HD21 LEU 22 3HD2 LEU 22 1.765 2.535 0.994 165 HD22 LEU 22 1HD2 LEU 22 2.512 4.096 1.327 166 HD23 LEU 22 2HD2 LEU 22 3.035 2.659 2.209 167 H VAL 23 H VAL 23 7.619 2.181 0.720 168 HA VAL 23 HA VAL 23 7.022 -0.510 1.152 169 HB VAL 23 HB VAL 23 9.545 0.866 0.212 170 HG11 VAL 23 1HG1 VAL 23 10.163 -1.259 1.233 171 HG12 VAL 23 2HG1 VAL 23 10.381 -1.274 -0.514 172 HG13 VAL 23 3HG1 VAL 23 8.989 -2.103 0.212 173 HG21 VAL 23 3HG2 VAL 23 8.856 -0.035 -1.948 174 HG22 VAL 23 1HG2 VAL 23 7.625 1.013 -1.245 175 HG23 VAL 23 2HG2 VAL 23 7.428 -0.736 -1.190 176 H ARG 24 H ARG 24 9.238 1.629 2.943 177 HA ARG 24 HA ARG 24 10.270 -0.552 4.494 178 HB2 ARG 24 2HB ARG 24 11.539 1.590 4.088 179 HB3 ARG 24 1HB ARG 24 10.416 2.385 5.167 180 HG2 ARG 24 2HG ARG 24 12.496 1.865 6.290 181 HG3 ARG 24 1HG ARG 24 11.160 0.969 7.019 182 HD2 ARG 24 2HD ARG 24 11.833 -1.046 5.857 183 HD3 ARG 24 1HD ARG 24 13.080 -0.178 4.972 184 HE ARG 24 HE ARG 24 13.360 -0.022 7.820 185 HH11 ARG 24 1HH1 ARG 24 14.164 -2.024 4.982 186 HH12 ARG 24 2HH1 ARG 24 15.450 -2.823 5.740 187 HH21 ARG 24 1HH2 ARG 24 15.180 -1.147 8.834 188 HH22 ARG 24 2HH2 ARG 24 16.010 -2.354 7.959 189 H LEU 25 H LEU 25 7.781 1.861 5.025 190 HA LEU 25 HA LEU 25 7.391 1.171 7.758 191 HB2 LEU 25 2HB LEU 25 6.826 3.360 6.530 192 HB3 LEU 25 1HB LEU 25 5.450 2.530 5.872 193 HG LEU 25 HG LEU 25 4.828 4.044 7.710 194 HD11 LEU 25 1HD1 LEU 25 4.392 1.205 8.461 195 HD12 LEU 25 2HD1 LEU 25 3.508 2.154 7.267 196 HD13 LEU 25 3HD1 LEU 25 3.455 2.625 8.976 197 HD21 LEU 25 3HD2 LEU 25 6.500 2.254 9.452 198 HD22 LEU 25 1HD2 LEU 25 5.469 3.572 9.999 199 HD23 LEU 25 2HD2 LEU 25 6.886 3.919 9.007 200 H LEU 26 H LEU 26 5.792 0.212 4.744 201 HA LEU 26 HA LEU 26 3.875 -1.516 5.945 202 HB2 LEU 26 2HB LEU 26 5.002 -1.368 3.224 203 HB3 LEU 26 1HB LEU 26 3.681 -2.421 3.719 204 HG LEU 26 HG LEU 26 3.705 0.548 3.418 205 HD11 LEU 26 1HD1 LEU 26 1.923 -1.642 3.150 206 HD12 LEU 26 2HD1 LEU 26 2.851 -0.943 1.767 207 HD13 LEU 26 3HD1 LEU 26 1.501 -0.027 2.568 208 HD21 LEU 26 3HD2 LEU 26 1.884 -0.963 5.293 209 HD22 LEU 26 1HD2 LEU 26 1.654 0.700 4.757 210 HD23 LEU 26 2HD2 LEU 26 3.046 0.294 5.742 211 H SER 27 H SER 27 7.216 -1.886 5.129 212 HA SER 27 HA SER 27 7.297 -4.700 5.166 213 HB2 SER 27 2HB SER 27 9.078 -3.269 4.201 214 HB3 SER 27 1HB SER 27 9.428 -2.615 5.788 215 HG SER 27 HG SER 27 9.957 -5.151 4.725 216 H LYS 28 H LYS 28 6.908 -2.272 7.553 217 HA LYS 28 HA LYS 28 7.712 -4.026 9.693 218 HB2 LYS 28 2HB LYS 28 6.677 -1.224 9.947 219 HB3 LYS 28 1HB LYS 28 7.627 -2.137 11.117 220 HG2 LYS 28 2HG LYS 28 9.372 -2.217 9.125 221 HG3 LYS 28 1HG LYS 28 8.396 -0.935 8.566 222 HD2 LYS 28 2HD LYS 28 9.600 -0.913 11.289 223 HD3 LYS 28 1HD LYS 28 10.381 -0.181 9.886 224 HE2 LYS 28 2HE LYS 28 8.395 1.273 9.615 225 HE3 LYS 28 1HE LYS 28 7.711 0.573 11.085 226 HZ1 LYS 28 3HZ LYS 28 8.787 2.667 11.535 227 HZ2 LYS 28 1HZ LYS 28 10.227 2.120 10.868 228 HZ3 LYS 28 2HZ LYS 28 9.654 1.427 12.295 229 H ASN 29 H ASN 29 5.039 -3.523 7.806 230 HA ASN 29 HA ASN 29 3.105 -4.235 9.869 231 HB2 ASN 29 2HB ASN 29 2.871 -1.947 7.969 232 HB3 ASN 29 1HB ASN 29 1.551 -2.572 8.793 233 HD21 ASN 29 1HD2 ASN 29 4.367 -0.692 9.097 234 HD22 ASN 29 2HD2 ASN 29 4.102 -0.084 10.695 235 HA PRO 30 HA PRO 30 2.455 -6.060 5.461 236 HB2 PRO 30 2HB PRO 30 3.029 -8.689 6.646 237 HB3 PRO 30 1HB PRO 30 3.700 -7.981 5.177 238 HG2 PRO 30 2HG PRO 30 5.198 -8.321 7.390 239 HG3 PRO 30 1HG PRO 30 5.426 -6.934 6.310 240 HD2 PRO 30 2HD PRO 30 3.981 -7.064 8.939 241 HD3 PRO 30 1HD PRO 30 5.080 -5.815 8.324 242 H GLU 31 H GLU 31 1.824 -6.836 8.666 243 HA GLU 31 HA GLU 31 -0.436 -8.494 8.567 244 HB2 GLU 31 2HB GLU 31 0.382 -6.495 10.657 245 HB3 GLU 31 1HB GLU 31 -0.674 -7.881 10.887 246 HG2 GLU 31 2HG GLU 31 2.214 -8.052 10.074 247 HG3 GLU 31 1HG GLU 31 1.621 -8.231 11.720 248 H TRP 32 H TRP 32 -0.044 -4.894 8.780 249 HA TRP 32 HA TRP 32 -2.853 -4.452 8.968 250 HB2 TRP 32 2HB TRP 32 -1.345 -2.757 9.830 251 HB3 TRP 32 1HB TRP 32 -0.526 -2.643 8.277 252 HD1 TRP 32 HD1 TRP 32 -3.681 -1.464 10.074 253 HE1 TRP 32 HE1 TRP 32 -4.819 0.343 8.630 254 HE3 TRP 32 HE3 TRP 32 -0.809 -1.856 5.918 255 HZ2 TRP 32 HZ2 TRP 32 -4.492 1.504 6.037 256 HZ3 TRP 32 HZ3 TRP 32 -1.224 -0.482 4.040 257 HH2 TRP 32 HH2 TRP 32 -3.057 1.222 4.055 258 H LEU 33 H LEU 33 -0.431 -4.420 6.494 259 HA LEU 33 HA LEU 33 -1.928 -3.381 4.398 260 HB2 LEU 33 2HB LEU 33 0.577 -3.712 4.640 261 HB3 LEU 33 1HB LEU 33 0.333 -5.368 4.225 262 HG LEU 33 HG LEU 33 1.217 -3.924 2.357 263 HD11 LEU 33 1HD1 LEU 33 -1.446 -5.134 1.865 264 HD12 LEU 33 2HD1 LEU 33 0.095 -6.020 1.838 265 HD13 LEU 33 3HD1 LEU 33 -0.249 -4.752 0.637 266 HD21 LEU 33 3HD2 LEU 33 -0.096 -1.955 2.895 267 HD22 LEU 33 1HD2 LEU 33 -1.550 -2.819 2.404 268 HD23 LEU 33 2HD2 LEU 33 -0.291 -2.465 1.214 269 H SER 34 H SER 34 -1.411 -6.713 5.410 270 HA SER 34 HA SER 34 -2.985 -7.988 3.474 271 HB2 SER 34 2HB SER 34 -2.512 -8.815 6.345 272 HB3 SER 34 1HB SER 34 -3.106 -9.871 5.059 273 HG SER 34 HG SER 34 -0.593 -8.557 5.193 274 H ALA 35 H ALA 35 -3.913 -6.863 6.721 275 HA ALA 35 HA ALA 35 -6.588 -7.560 6.744 276 HB1 ALA 35 3HB ALA 35 -6.882 -5.875 8.468 277 HB2 ALA 35 1HB ALA 35 -5.357 -5.116 8.013 278 HB3 ALA 35 2HB ALA 35 -5.359 -6.737 8.705 279 H LYS 36 H LYS 36 -5.091 -4.646 5.427 280 HA LYS 36 HA LYS 36 -7.624 -3.608 4.621 281 HB2 LYS 36 2HB LYS 36 -4.797 -2.649 3.999 282 HB3 LYS 36 1HB LYS 36 -6.228 -1.825 3.400 283 HG2 LYS 36 2HG LYS 36 -5.679 -2.379 6.268 284 HG3 LYS 36 1HG LYS 36 -5.236 -0.895 5.426 285 HD2 LYS 36 2HD LYS 36 -8.028 -1.908 5.331 286 HD3 LYS 36 1HD LYS 36 -7.488 -0.950 6.744 287 HE2 LYS 36 2HE LYS 36 -6.800 0.754 4.946 288 HE3 LYS 36 1HE LYS 36 -7.765 -0.230 3.842 289 HZ1 LYS 36 3HZ LYS 36 -9.056 1.591 4.785 290 HZ2 LYS 36 1HZ LYS 36 -8.675 1.034 6.326 291 HZ3 LYS 36 2HZ LYS 36 -9.682 0.104 5.295 292 H LEU 37 H LEU 37 -5.134 -5.484 3.029 293 HA LEU 37 HA LEU 37 -6.181 -5.399 0.437 294 HB2 LEU 37 2HB LEU 37 -4.874 -7.753 1.793 295 HB3 LEU 37 1HB LEU 37 -5.197 -7.623 0.083 296 HG LEU 37 HG LEU 37 -3.237 -6.035 1.703 297 HD11 LEU 37 1HD1 LEU 37 -2.877 -8.013 -0.537 298 HD12 LEU 37 2HD1 LEU 37 -2.507 -8.272 1.171 299 HD13 LEU 37 3HD1 LEU 37 -1.588 -7.093 0.239 300 HD21 LEU 37 3HD2 LEU 37 -3.903 -5.746 -1.229 301 HD22 LEU 37 1HD2 LEU 37 -2.567 -4.956 -0.397 302 HD23 LEU 37 2HD2 LEU 37 -4.227 -4.555 0.036 303 H ARG 38 H ARG 38 -7.217 -7.106 3.251 304 HA ARG 38 HA ARG 38 -8.844 -9.033 2.098 305 HB2 ARG 38 2HB ARG 38 -9.513 -7.608 4.659 306 HB3 ARG 38 1HB ARG 38 -10.029 -9.212 4.175 307 HG2 ARG 38 2HG ARG 38 -7.517 -9.862 4.264 308 HG3 ARG 38 1HG ARG 38 -7.315 -8.282 4.907 309 HD2 ARG 38 2HD ARG 38 -8.880 -8.748 6.717 310 HD3 ARG 38 1HD ARG 38 -9.066 -10.382 6.071 311 HE ARG 38 HE ARG 38 -6.359 -9.991 6.526 312 HH11 ARG 38 1HH1 ARG 38 -9.332 -10.326 8.448 313 HH12 ARG 38 2HH1 ARG 38 -8.542 -10.737 9.883 314 HH21 ARG 38 1HH2 ARG 38 -5.246 -10.553 8.553 315 HH22 ARG 38 2HH2 ARG 38 -6.156 -10.893 9.932 316 H SER 39 H SER 39 -9.366 -5.635 2.436 317 HA SER 39 HA SER 39 -12.196 -5.818 1.825 318 HB2 SER 39 2HB SER 39 -11.319 -4.125 3.426 319 HB3 SER 39 1HB SER 39 -10.406 -3.416 2.099 320 HG SER 39 HG SER 39 -12.429 -2.985 1.056 321 H PHE 40 H PHE 40 -9.237 -4.558 0.406 322 HA PHE 40 HA PHE 40 -10.407 -3.635 -2.030 323 HB2 PHE 40 2HB PHE 40 -7.559 -4.110 -1.212 324 HB3 PHE 40 1HB PHE 40 -8.055 -3.282 -2.693 325 HD1 PHE 40 HD2 PHE 40 -9.732 -1.406 -2.352 326 HD2 PHE 40 HD1 PHE 40 -7.235 -2.770 0.786 327 HE1 PHE 40 HE2 PHE 40 -10.083 0.736 -1.125 328 HE2 PHE 40 HE1 PHE 40 -7.572 -0.703 1.984 329 HZ PHE 40 HZ PHE 40 -8.995 1.072 1.051 330 H LEU 41 H LEU 41 -8.499 -6.588 -1.282 331 HA LEU 41 HA LEU 41 -8.647 -7.495 -3.989 332 HB2 LEU 41 2HB LEU 41 -7.333 -8.379 -1.451 333 HB3 LEU 41 1HB LEU 41 -7.417 -9.444 -2.829 334 HG LEU 41 HG LEU 41 -6.206 -7.839 -4.160 335 HD11 LEU 41 1HD1 LEU 41 -5.939 -6.281 -1.652 336 HD12 LEU 41 2HD1 LEU 41 -6.872 -5.866 -3.094 337 HD13 LEU 41 3HD1 LEU 41 -5.102 -5.924 -3.187 338 HD21 LEU 41 3HD2 LEU 41 -4.954 -9.572 -3.130 339 HD22 LEU 41 1HD2 LEU 41 -4.892 -8.696 -1.599 340 HD23 LEU 41 2HD2 LEU 41 -4.028 -8.078 -2.999 341 HA PRO 42 HA PRO 42 -12.639 -9.340 -2.936 342 HB2 PRO 42 2HB PRO 42 -12.933 -10.708 -5.298 343 HB3 PRO 42 1HB PRO 42 -13.290 -8.990 -5.094 344 HG2 PRO 42 2HG PRO 42 -10.822 -10.286 -6.188 345 HG3 PRO 42 1HG PRO 42 -11.715 -8.885 -6.808 346 HD2 PRO 42 2HD PRO 42 -9.470 -8.576 -5.409 347 HD3 PRO 42 1HD PRO 42 -10.826 -7.455 -5.196 348 H THR 43 H THR 43 -9.887 -11.249 -4.047 349 HA THR 43 HA THR 43 -11.101 -13.627 -2.811 350 HB THR 43 HB THR 43 -9.502 -14.893 -4.258 351 HG1 THR 43 HG1 THR 43 -8.292 -13.833 -5.716 352 HG21 THR 43 3HG2 THR 43 -11.363 -12.963 -5.544 353 HG22 THR 43 1HG2 THR 43 -11.801 -14.554 -4.935 354 HG23 THR 43 2HG2 THR 43 -10.749 -14.414 -6.369 355 H MET 44 H MET 44 -9.330 -11.261 -1.948 356 HA MET 44 HA MET 44 -7.464 -10.659 -1.027 357 HB2 MET 44 2HB MET 44 -7.639 -12.961 0.881 358 HB3 MET 44 1HB MET 44 -7.248 -11.256 0.939 359 HG2 MET 44 2HG MET 44 -9.356 -10.494 1.065 360 HG3 MET 44 1HG MET 44 -10.085 -12.016 0.493 361 HE1 MET 44 3HE MET 44 -11.507 -11.821 4.111 362 HE2 MET 44 1HE MET 44 -11.867 -12.154 2.416 363 HE3 MET 44 2HE MET 44 -11.353 -10.541 2.905 364 H ASP 45 H ASP 45 -5.893 -10.992 -2.549 365 HA ASP 45 HA ASP 45 -4.381 -13.477 -2.283 366 HB2 ASP 45 2HB ASP 45 -4.945 -12.635 -4.611 367 HB3 ASP 45 1HB ASP 45 -3.935 -11.231 -4.294 368 H LEU 46 H LEU 46 -4.158 -12.545 -0.125 369 HA LEU 46 HA LEU 46 -2.119 -10.484 0.097 370 HB2 LEU 46 2HB LEU 46 -2.807 -10.371 2.497 371 HB3 LEU 46 1HB LEU 46 -4.071 -10.006 1.343 372 HG LEU 46 HG LEU 46 -4.934 -12.356 1.711 373 HD11 LEU 46 1HD1 LEU 46 -3.137 -12.243 4.125 374 HD12 LEU 46 2HD1 LEU 46 -2.986 -13.350 2.762 375 HD13 LEU 46 3HD1 LEU 46 -4.394 -13.441 3.818 376 HD21 LEU 46 3HD2 LEU 46 -5.999 -10.373 2.589 377 HD22 LEU 46 1HD2 LEU 46 -4.957 -10.415 4.004 378 HD23 LEU 46 2HD2 LEU 46 -6.124 -11.710 3.730 379 H ASP 47 H ASP 47 -2.351 -13.741 0.050 380 HA ASP 47 HA ASP 47 -0.492 -14.433 2.120 381 HB2 ASP 47 2HB ASP 47 -0.835 -16.737 1.262 382 HB3 ASP 47 1HB ASP 47 -2.337 -15.886 1.629 383 H CYS 48 H CYS 48 0.574 -12.661 0.273 384 HA CYS 48 HA CYS 48 2.369 -14.185 -1.442 385 HB2 CYS 48 2HB CYS 48 2.063 -11.207 -1.087 386 HB3 CYS 48 1HB CYS 48 3.100 -11.995 -2.272 387 HG CYS 48 HG CYS 48 0.294 -13.341 -2.849 388 H SER 49 H SER 49 2.402 -13.365 1.764 389 HA SER 49 HA SER 49 5.205 -12.680 1.765 390 HB2 SER 49 2HB SER 49 3.221 -12.801 4.031 391 HB3 SER 49 1HB SER 49 4.927 -12.428 4.242 392 HG SER 49 HG SER 49 2.881 -10.891 3.293 393 H TYR 50 H TYR 50 5.388 -14.916 0.747 394 HA TYR 50 HA TYR 50 5.692 -17.026 2.639 395 HB2 TYR 50 2HB TYR 50 7.152 -17.673 0.379 396 HB3 TYR 50 1HB TYR 50 5.477 -18.165 0.747 397 HD1 TYR 50 HD1 TYR 50 7.469 -15.477 -0.937 398 HD2 TYR 50 HD2 TYR 50 3.773 -17.575 -0.725 399 HE1 TYR 50 HE1 TYR 50 6.718 -14.369 -2.981 400 HE2 TYR 50 HE2 TYR 50 3.012 -16.442 -2.769 401 HH TYR 50 HH TYR 50 5.129 -14.754 -4.760 402 H GLU 51 H GLU 51 7.485 -14.675 1.175 403 HA GLU 51 HA GLU 51 10.040 -15.420 2.263 404 HB2 GLU 51 2HB GLU 51 9.054 -13.136 0.526 405 HB3 GLU 51 1HB GLU 51 10.658 -13.436 1.018 406 HG2 GLU 51 2HG GLU 51 10.941 -15.375 -0.204 407 HG3 GLU 51 1HG GLU 51 9.247 -15.535 -0.591 408 HA PRO 52 HA PRO 52 9.479 -12.363 5.533 409 HB2 PRO 52 2HB PRO 52 11.675 -10.743 5.406 410 HB3 PRO 52 1HB PRO 52 11.721 -12.368 6.095 411 HG2 PRO 52 2HG PRO 52 12.463 -11.459 3.349 412 HG3 PRO 52 1HG PRO 52 13.357 -12.546 4.433 413 HD2 PRO 52 2HD PRO 52 11.901 -13.523 2.439 414 HD3 PRO 52 1HD PRO 52 11.921 -14.332 4.014 415 H SER 53 H SER 53 9.997 -9.745 5.753 416 HA SER 53 HA SER 53 7.940 -8.655 4.092 417 HB2 SER 53 2HB SER 53 9.600 -7.397 6.274 418 HB3 SER 53 1HB SER 53 8.095 -6.766 5.605 419 HG SER 53 HG SER 53 7.264 -8.942 6.190 420 H ASN 54 H ASN 54 10.165 -9.301 2.496 421 HA ASN 54 HA ASN 54 12.098 -7.361 2.058 422 HB2 ASN 54 2HB ASN 54 10.743 -9.400 0.450 423 HB3 ASN 54 1HB ASN 54 11.987 -8.437 -0.289 424 HD21 ASN 54 1HD2 ASN 54 12.019 -11.144 -0.152 425 HD22 ASN 54 2HD2 ASN 54 13.256 -11.702 0.914 426 HA PRO 55 HA PRO 55 10.260 -3.858 0.016 427 HB2 PRO 55 2HB PRO 55 12.273 -4.502 -2.094 428 HB3 PRO 55 1HB PRO 55 11.920 -2.952 -1.323 429 HG2 PRO 55 2HG PRO 55 14.065 -4.415 -0.638 430 HG3 PRO 55 1HG PRO 55 13.177 -3.439 0.542 431 HD2 PRO 55 2HD PRO 55 13.258 -6.396 0.254 432 HD3 PRO 55 1HD PRO 55 12.860 -5.390 1.657 433 H GLU 56 H GLU 56 11.213 -6.482 -2.317 434 HA GLU 56 HA GLU 56 9.178 -5.747 -4.040 435 HB2 GLU 56 2HB GLU 56 11.026 -8.020 -3.915 436 HB3 GLU 56 1HB GLU 56 9.795 -7.859 -5.174 437 HG2 GLU 56 2HG GLU 56 11.938 -5.873 -4.512 438 HG3 GLU 56 1HG GLU 56 11.784 -6.942 -5.904 439 H VAL 57 H VAL 57 9.378 -7.949 -1.394 440 HA VAL 57 HA VAL 57 7.152 -9.513 -2.075 441 HB VAL 57 HB VAL 57 8.340 -8.909 0.668 442 HG11 VAL 57 1HG1 VAL 57 7.044 -10.761 1.537 443 HG12 VAL 57 2HG1 VAL 57 6.255 -10.972 -0.031 444 HG13 VAL 57 3HG1 VAL 57 5.962 -9.505 0.916 445 HG21 VAL 57 3HG2 VAL 57 9.261 -11.080 0.566 446 HG22 VAL 57 1HG2 VAL 57 9.701 -10.242 -0.923 447 HG23 VAL 57 2HG2 VAL 57 8.407 -11.448 -0.936 448 H ILE 58 H ILE 58 7.606 -6.525 -0.348 449 HA ILE 58 HA ILE 58 4.894 -6.093 0.351 450 HB ILE 58 HB ILE 58 7.193 -4.145 0.050 451 HG12 ILE 58 2HG1 ILE 58 7.624 -5.788 1.776 452 HG13 ILE 58 1HG1 ILE 58 7.261 -4.230 2.504 453 HG21 ILE 58 1HG2 ILE 58 4.507 -3.674 1.336 454 HG22 ILE 58 2HG2 ILE 58 5.122 -2.913 -0.134 455 HG23 ILE 58 3HG2 ILE 58 5.890 -2.580 1.417 456 HD11 ILE 58 3HD1 ILE 58 6.226 -6.039 3.751 457 HD12 ILE 58 1HD1 ILE 58 5.363 -6.566 2.308 458 HD13 ILE 58 2HD1 ILE 58 4.998 -5.000 3.029 459 H HIS 59 H HIS 59 6.948 -4.840 -2.242 460 HA HIS 59 HA HIS 59 5.179 -3.231 -3.656 461 HB2 HIS 59 2HB HIS 59 7.618 -3.364 -4.088 462 HB3 HIS 59 1HB HIS 59 7.424 -4.981 -4.722 463 HD1 HIS 59 HD1 HIS 59 8.336 -4.482 -6.999 464 HD2 HIS 59 HD2 HIS 59 5.180 -1.995 -5.960 465 HE1 HIS 59 HE1 HIS 59 7.753 -3.205 -9.092 466 HE2 HIS 59 HE2 HIS 59 6.011 -1.541 -8.351 467 H ARG 60 H ARG 60 5.655 -6.691 -3.894 468 HA ARG 60 HA ARG 60 4.077 -7.422 -6.032 469 HB2 ARG 60 2HB ARG 60 5.684 -8.758 -4.814 470 HB3 ARG 60 1HB ARG 60 4.668 -8.711 -3.400 471 HG2 ARG 60 2HG ARG 60 3.046 -10.041 -4.442 472 HG3 ARG 60 1HG ARG 60 3.943 -10.063 -5.987 473 HD2 ARG 60 2HD ARG 60 4.863 -11.096 -3.315 474 HD3 ARG 60 1HD ARG 60 4.432 -12.107 -4.706 475 HE ARG 60 HE ARG 60 6.404 -10.589 -5.698 476 HH11 ARG 60 1HH1 ARG 60 6.301 -12.413 -2.642 477 HH12 ARG 60 2HH1 ARG 60 7.991 -12.728 -2.672 478 HH21 ARG 60 1HH2 ARG 60 8.696 -10.972 -5.595 479 HH22 ARG 60 2HH2 ARG 60 9.348 -11.880 -4.307 480 H GLN 61 H GLN 61 3.206 -6.838 -2.688 481 HA GLN 61 HA GLN 61 0.503 -7.793 -2.915 482 HB2 GLN 61 2HB GLN 61 1.721 -6.090 -0.752 483 HB3 GLN 61 1HB GLN 61 0.293 -7.117 -0.627 484 HG2 GLN 61 2HG GLN 61 1.650 -9.034 -1.117 485 HG3 GLN 61 1HG GLN 61 3.082 -8.064 -1.170 486 HE21 GLN 61 1HE2 GLN 61 4.109 -8.986 0.499 487 HE22 GLN 61 2HE2 GLN 61 3.597 -8.941 2.150 488 H LEU 62 H LEU 62 2.109 -4.772 -2.866 489 HA LEU 62 HA LEU 62 -0.195 -3.090 -2.805 490 HB2 LEU 62 2HB LEU 62 2.665 -2.560 -3.505 491 HB3 LEU 62 1HB LEU 62 1.465 -1.351 -3.892 492 HG LEU 62 HG LEU 62 2.627 -0.844 -1.794 493 HD11 LEU 62 1HD1 LEU 62 0.700 -0.446 -0.380 494 HD12 LEU 62 2HD1 LEU 62 -0.256 -1.566 -1.343 495 HD13 LEU 62 3HD1 LEU 62 0.342 -0.071 -2.065 496 HD21 LEU 62 3HD2 LEU 62 2.257 -2.205 0.213 497 HD22 LEU 62 1HD2 LEU 62 3.123 -3.102 -1.036 498 HD23 LEU 62 2HD2 LEU 62 1.408 -3.397 -0.769 499 H ASN 63 H ASN 63 1.505 -4.632 -5.393 500 HA ASN 63 HA ASN 63 0.632 -3.414 -7.669 501 HB2 ASN 63 2HB ASN 63 2.246 -5.258 -7.366 502 HB3 ASN 63 1HB ASN 63 0.873 -6.290 -7.010 503 HD21 ASN 63 1HD2 ASN 63 1.111 -7.633 -8.609 504 HD22 ASN 63 2HD2 ASN 63 0.790 -7.214 -10.244 505 H ARG 64 H ARG 64 -0.975 -5.658 -5.538 506 HA ARG 64 HA ARG 64 -3.091 -6.346 -7.219 507 HB2 ARG 64 2HB ARG 64 -2.767 -6.448 -4.251 508 HB3 ARG 64 1HB ARG 64 -4.277 -6.917 -5.020 509 HG2 ARG 64 2HG ARG 64 -1.621 -8.132 -5.721 510 HG3 ARG 64 1HG ARG 64 -2.713 -8.811 -4.507 511 HD2 ARG 64 2HD ARG 64 -4.441 -8.950 -6.182 512 HD3 ARG 64 1HD ARG 64 -3.348 -8.336 -7.420 513 HE ARG 64 HE ARG 64 -2.673 -10.795 -5.944 514 HH11 ARG 64 1HH1 ARG 64 -3.214 -9.211 -9.088 515 HH12 ARG 64 2HH1 ARG 64 -2.811 -10.595 -9.973 516 HH21 ARG 64 1HH2 ARG 64 -2.113 -12.585 -7.127 517 HH22 ARG 64 2HH2 ARG 64 -2.106 -12.590 -8.851 518 H LEU 65 H LEU 65 -2.601 -3.608 -5.158 519 HA LEU 65 HA LEU 65 -5.316 -2.752 -5.158 520 HB2 LEU 65 2HB LEU 65 -2.809 -1.191 -4.664 521 HB3 LEU 65 1HB LEU 65 -4.435 -0.646 -4.296 522 HG LEU 65 HG LEU 65 -3.019 -2.977 -3.020 523 HD11 LEU 65 1HD1 LEU 65 -3.012 -1.559 -1.064 524 HD12 LEU 65 2HD1 LEU 65 -3.807 -0.291 -1.998 525 HD13 LEU 65 3HD1 LEU 65 -2.158 -0.777 -2.403 526 HD21 LEU 65 3HD2 LEU 65 -5.418 -3.364 -3.145 527 HD22 LEU 65 1HD2 LEU 65 -5.721 -1.762 -2.470 528 HD23 LEU 65 2HD2 LEU 65 -4.929 -2.997 -1.493 529 H PHE 66 H PHE 66 -2.522 -2.273 -7.151 530 HA PHE 66 HA PHE 66 -3.361 -0.141 -8.777 531 HB2 PHE 66 2HB PHE 66 -1.043 -0.930 -8.750 532 HB3 PHE 66 1HB PHE 66 -1.539 -2.496 -9.363 533 HD1 PHE 66 HD1 PHE 66 -0.932 1.018 -10.210 534 HD2 PHE 66 HD2 PHE 66 -1.974 -2.818 -11.720 535 HE1 PHE 66 HE1 PHE 66 -0.491 1.798 -12.497 536 HE2 PHE 66 HE2 PHE 66 -1.537 -2.036 -14.011 537 HZ PHE 66 HZ PHE 66 -0.794 0.275 -14.399 538 H ALA 67 H ALA 67 -4.073 -3.493 -8.703 539 HA ALA 67 HA ALA 67 -5.402 -3.584 -11.244 540 HB1 ALA 67 3HB ALA 67 -5.347 -5.597 -9.011 541 HB2 ALA 67 1HB ALA 67 -4.207 -5.517 -10.356 542 HB3 ALA 67 2HB ALA 67 -5.908 -5.868 -10.663 543 H GLN 68 H GLN 68 -6.362 -2.766 -7.927 544 HA GLN 68 HA GLN 68 -9.067 -3.447 -8.373 545 HB2 GLN 68 2HB GLN 68 -7.667 -1.932 -6.219 546 HB3 GLN 68 1HB GLN 68 -9.379 -2.216 -6.246 547 HG2 GLN 68 2HG GLN 68 -7.176 -3.979 -5.307 548 HG3 GLN 68 1HG GLN 68 -8.803 -3.838 -4.878 549 HE21 GLN 68 1HE2 GLN 68 -7.104 -6.190 -5.641 550 HE22 GLN 68 2HE2 GLN 68 -8.124 -7.130 -6.670 551 H GLY 69 H GLY 69 -7.103 -0.491 -8.178 552 HA2 GLY 69 2HA GLY 69 -8.881 1.189 -9.787 553 HA3 GLY 69 1HA GLY 69 -9.223 1.219 -8.113 554 H MET 70 H MET 70 -7.822 2.936 -10.263 555 HA MET 70 HA MET 70 -5.523 3.756 -8.810 556 HB2 MET 70 2HB MET 70 -5.674 5.853 -10.147 557 HB3 MET 70 1HB MET 70 -5.706 4.420 -11.155 558 HG2 MET 70 2HG MET 70 -8.141 5.990 -10.350 559 HG3 MET 70 1HG MET 70 -7.257 6.254 -11.846 560 HE1 MET 70 3HE MET 70 -10.509 4.513 -13.098 561 HE2 MET 70 1HE MET 70 -9.428 5.897 -13.276 562 HE3 MET 70 2HE MET 70 -10.347 5.678 -11.787 563 H ALA 71 H ALA 71 -8.890 4.293 -8.756 564 HA ALA 71 HA ALA 71 -8.888 6.496 -6.921 565 HB1 ALA 71 3HB ALA 71 -10.774 6.050 -8.415 566 HB2 ALA 71 1HB ALA 71 -11.303 5.965 -6.722 567 HB3 ALA 71 2HB ALA 71 -10.983 4.483 -7.646 568 H THR 72 H THR 72 -9.225 2.981 -6.774 569 HA THR 72 HA THR 72 -9.664 2.628 -4.086 570 HB THR 72 HB THR 72 -8.175 0.962 -6.116 571 HG1 THR 72 HG1 THR 72 -10.816 0.681 -5.176 572 HG21 THR 72 3HG2 THR 72 -7.617 0.138 -3.881 573 HG22 THR 72 1HG2 THR 72 -8.772 -0.985 -4.588 574 HG23 THR 72 2HG2 THR 72 -9.307 0.187 -3.410 575 H TRP 73 H TRP 73 -6.654 3.031 -5.896 576 HA TRP 73 HA TRP 73 -4.856 2.638 -3.799 577 HB2 TRP 73 2HB TRP 73 -4.287 2.734 -6.228 578 HB3 TRP 73 1HB TRP 73 -4.554 4.469 -6.189 579 HD1 TRP 73 HD1 TRP 73 -2.591 5.980 -5.234 580 HE1 TRP 73 HE1 TRP 73 -0.201 5.500 -4.522 581 HE3 TRP 73 HE3 TRP 73 -2.796 0.884 -5.146 582 HZ2 TRP 73 HZ2 TRP 73 1.432 3.249 -4.010 583 HZ3 TRP 73 HZ3 TRP 73 -0.753 -0.361 -4.551 584 HH2 TRP 73 HH2 TRP 73 1.314 0.808 -3.995 585 H LYS 74 H LYS 74 -6.382 5.635 -5.016 586 HA LYS 74 HA LYS 74 -5.172 7.381 -3.191 587 HB2 LYS 74 2HB LYS 74 -7.937 7.791 -4.330 588 HB3 LYS 74 1HB LYS 74 -6.798 9.030 -3.816 589 HG2 LYS 74 2HG LYS 74 -5.292 8.146 -5.723 590 HG3 LYS 74 1HG LYS 74 -6.713 7.291 -6.247 591 HD2 LYS 74 2HD LYS 74 -6.479 10.290 -5.964 592 HD3 LYS 74 1HD LYS 74 -6.489 9.375 -7.476 593 HE2 LYS 74 2HE LYS 74 -8.786 8.553 -6.696 594 HE3 LYS 74 1HE LYS 74 -8.601 9.835 -5.477 595 HZ1 LYS 74 3HZ LYS 74 -8.379 11.461 -7.317 596 HZ2 LYS 74 1HZ LYS 74 -9.865 10.667 -7.382 597 HZ3 LYS 74 2HZ LYS 74 -8.624 10.240 -8.419 598 H SER 75 H SER 75 -8.262 5.569 -2.884 599 HA SER 75 HA SER 75 -9.017 6.633 -0.490 600 HB2 SER 75 2HB SER 75 -9.474 3.981 -1.813 601 HB3 SER 75 1HB SER 75 -10.429 4.679 -0.511 602 HG SER 75 HG SER 75 -10.793 6.477 -1.937 603 H PHE 76 H PHE 76 -7.097 3.814 -1.377 604 HA PHE 76 HA PHE 76 -6.747 2.649 1.131 605 HB2 PHE 76 2HB PHE 76 -6.242 1.437 -0.887 606 HB3 PHE 76 1HB PHE 76 -5.012 2.605 -1.334 607 HD1 PHE 76 HD2 PHE 76 -5.858 -0.100 0.996 608 HD2 PHE 76 HD1 PHE 76 -2.806 2.464 -0.469 609 HE1 PHE 76 HE2 PHE 76 -4.165 -1.478 2.120 610 HE2 PHE 76 HE1 PHE 76 -1.106 1.092 0.653 611 HZ PHE 76 HZ PHE 76 -1.794 -0.889 1.941 612 H ILE 77 H ILE 77 -4.651 4.894 -0.635 613 HA ILE 77 HA ILE 77 -2.609 4.925 1.278 614 HB ILE 77 HB ILE 77 -3.290 7.005 -0.806 615 HG12 ILE 77 2HG1 ILE 77 -2.725 4.769 -1.708 616 HG13 ILE 77 1HG1 ILE 77 -1.529 5.981 -2.137 617 HG21 ILE 77 1HG2 ILE 77 -1.089 7.883 -0.520 618 HG22 ILE 77 2HG2 ILE 77 -0.695 6.658 0.678 619 HG23 ILE 77 3HG2 ILE 77 -1.888 7.901 1.057 620 HD11 ILE 77 3HD1 ILE 77 -0.468 3.881 -1.552 621 HD12 ILE 77 1HD1 ILE 77 -1.244 3.899 0.034 622 HD13 ILE 77 2HD1 ILE 77 -0.050 5.128 -0.377 623 H ASN 78 H ASN 78 -5.513 6.865 1.034 624 HA ASN 78 HA ASN 78 -4.848 8.780 2.996 625 HB2 ASN 78 2HB ASN 78 -6.823 9.003 1.526 626 HB3 ASN 78 1HB ASN 78 -7.567 7.627 2.327 627 HD21 ASN 78 1HD2 ASN 78 -5.781 10.344 3.880 628 HD22 ASN 78 2HD2 ASN 78 -7.137 10.861 4.779 629 H ASP 79 H ASP 79 -6.410 5.611 3.194 630 HA ASP 79 HA ASP 79 -6.771 5.616 6.007 631 HB2 ASP 79 2HB ASP 79 -6.661 3.302 4.057 632 HB3 ASP 79 1HB ASP 79 -7.003 3.158 5.770 633 H LEU 80 H LEU 80 -4.319 4.392 3.896 634 HA LEU 80 HA LEU 80 -2.566 2.990 5.502 635 HB2 LEU 80 2HB LEU 80 -2.470 3.344 3.095 636 HB3 LEU 80 1HB LEU 80 -2.179 5.005 3.353 637 HG LEU 80 HG LEU 80 -0.232 3.948 2.449 638 HD11 LEU 80 1HD1 LEU 80 0.345 4.644 5.298 639 HD12 LEU 80 2HD1 LEU 80 0.346 5.731 3.910 640 HD13 LEU 80 3HD1 LEU 80 1.547 4.446 4.023 641 HD21 LEU 80 3HD2 LEU 80 0.948 2.185 3.583 642 HD22 LEU 80 1HD2 LEU 80 -0.702 1.775 3.078 643 HD23 LEU 80 2HD2 LEU 80 -0.383 2.147 4.777 644 H CYS 81 H CYS 81 -2.651 6.429 4.875 645 HA CYS 81 HA CYS 81 -0.598 7.163 6.674 646 HB2 CYS 81 2HB CYS 81 -2.814 8.811 5.484 647 HB3 CYS 81 1HB CYS 81 -1.381 9.460 6.275 648 HG CYS 81 HG CYS 81 -1.656 7.859 3.308 649 H PHE 82 H PHE 82 -4.080 6.954 7.014 650 HA PHE 82 HA PHE 82 -4.270 8.333 9.517 651 HB2 PHE 82 2HB PHE 82 -6.055 8.112 7.725 652 HB3 PHE 82 1HB PHE 82 -6.242 6.462 8.243 653 HD1 PHE 82 HD1 PHE 82 -6.683 9.953 9.289 654 HD2 PHE 82 HD2 PHE 82 -7.459 5.873 10.210 655 HE1 PHE 82 HE1 PHE 82 -8.310 10.651 10.992 656 HE2 PHE 82 HE2 PHE 82 -9.084 6.564 11.921 657 HZ PHE 82 HZ PHE 82 -9.512 8.960 12.312 658 H GLU 83 H GLU 83 -4.178 4.976 8.522 659 HA GLU 83 HA GLU 83 -4.844 4.001 11.152 660 HB2 GLU 83 2HB GLU 83 -4.107 2.447 8.685 661 HB3 GLU 83 1HB GLU 83 -4.782 1.784 10.163 662 HG2 GLU 83 2HG GLU 83 -6.787 3.255 9.765 663 HG3 GLU 83 1HG GLU 83 -6.102 3.630 8.199 664 H LEU 84 H LEU 84 -1.908 4.373 9.310 665 HA LEU 84 HA LEU 84 -0.546 2.508 11.068 666 HB2 LEU 84 2HB LEU 84 0.412 3.999 8.662 667 HB3 LEU 84 1HB LEU 84 1.404 2.907 9.614 668 HG LEU 84 HG LEU 84 -1.139 2.070 8.220 669 HD11 LEU 84 1HD1 LEU 84 0.620 2.759 6.639 670 HD12 LEU 84 2HD1 LEU 84 0.298 1.027 6.583 671 HD13 LEU 84 3HD1 LEU 84 1.718 1.632 7.426 672 HD21 LEU 84 3HD2 LEU 84 -0.286 -0.180 8.663 673 HD22 LEU 84 1HD2 LEU 84 -0.567 0.708 10.157 674 HD23 LEU 84 2HD2 LEU 84 1.075 0.509 9.545 675 H ASP 85 H ASP 85 -0.820 5.924 10.733 676 HA ASP 85 HA ASP 85 0.863 6.246 13.029 677 HB2 ASP 85 2HB ASP 85 2.248 6.453 10.805 678 HB3 ASP 85 1HB ASP 85 1.347 7.937 10.552 679 H VAL 86 H VAL 86 0.702 9.021 13.043 680 HA VAL 86 HA VAL 86 -2.161 9.316 13.080 681 HB VAL 86 HB VAL 86 -1.746 11.626 14.004 682 HG11 VAL 86 1HG1 VAL 86 -0.364 9.374 15.448 683 HG12 VAL 86 2HG1 VAL 86 -2.084 9.756 15.507 684 HG13 VAL 86 3HG1 VAL 86 -0.907 10.879 16.190 685 HG21 VAL 86 3HG2 VAL 86 0.511 12.237 14.736 686 HG22 VAL 86 1HG2 VAL 86 0.437 12.049 12.986 687 HG23 VAL 86 2HG2 VAL 86 1.155 10.780 13.975 688 HA PRO 87 HA PRO 87 -3.205 10.478 9.038 689 HB2 PRO 87 2HB PRO 87 -3.873 13.171 10.086 690 HB3 PRO 87 1HB PRO 87 -4.864 12.029 9.171 691 HG2 PRO 87 2HG PRO 87 -4.807 12.392 12.005 692 HG3 PRO 87 1HG PRO 87 -5.747 11.214 11.080 693 HD2 PRO 87 2HD PRO 87 -3.699 10.587 12.833 694 HD3 PRO 87 1HD PRO 87 -4.258 9.528 11.522 695 H LEU 88 H LEU 88 -1.350 10.531 7.955 696 HA LEU 88 HA LEU 88 0.710 12.418 8.318 697 HB2 LEU 88 2HB LEU 88 0.191 10.704 5.884 698 HB3 LEU 88 1HB LEU 88 1.673 11.556 6.241 699 HG LEU 88 HG LEU 88 0.556 9.271 7.872 700 HD11 LEU 88 1HD1 LEU 88 1.365 8.545 5.703 701 HD12 LEU 88 2HD1 LEU 88 2.435 8.000 6.995 702 HD13 LEU 88 3HD1 LEU 88 2.898 9.369 5.984 703 HD21 LEU 88 3HD2 LEU 88 2.732 9.329 9.019 704 HD22 LEU 88 1HD2 LEU 88 1.826 10.822 9.260 705 HD23 LEU 88 2HD2 LEU 88 3.166 10.778 8.114 706 H ASP 89 H ASP 89 -2.040 12.288 6.200 707 HA ASP 89 HA ASP 89 -3.106 13.822 4.952 708 HB2 ASP 89 2HB ASP 89 -3.113 14.916 7.197 709 HB3 ASP 89 1HB ASP 89 -1.654 15.781 6.747 710 H MET 90 H MET 90 -0.768 12.849 3.980 711 HA MET 90 HA MET 90 -0.172 14.823 1.928 712 HB2 MET 90 2HB MET 90 2.247 14.354 1.964 713 HB3 MET 90 1HB MET 90 1.746 14.988 3.518 714 HG2 MET 90 2HG MET 90 1.793 12.731 4.453 715 HG3 MET 90 1HG MET 90 2.269 12.086 2.884 716 HE1 MET 90 3HE MET 90 5.586 11.684 4.924 717 HE2 MET 90 1HE MET 90 4.397 10.881 3.900 718 HE3 MET 90 2HE MET 90 3.941 11.446 5.508 719 H GLU 91 H GLU 91 -1.896 12.674 2.114 720 HA GLU 91 HA GLU 91 -0.712 10.271 1.154 721 HB2 GLU 91 2HB GLU 91 -3.066 9.511 0.806 722 HB3 GLU 91 1HB GLU 91 -2.652 9.933 2.466 723 HG2 GLU 91 2HG GLU 91 -4.150 11.718 0.554 724 HG3 GLU 91 1HG GLU 91 -4.938 10.593 1.659 725 H ILE 92 H ILE 92 -2.350 12.931 -0.388 726 HA ILE 92 HA ILE 92 -3.004 11.706 -2.876 727 HB ILE 92 HB ILE 92 -2.386 14.590 -2.129 728 HG12 ILE 92 2HG1 ILE 92 -4.306 13.686 -0.932 729 HG13 ILE 92 1HG1 ILE 92 -4.800 14.935 -2.069 730 HG21 ILE 92 1HG2 ILE 92 -3.597 15.248 -4.145 731 HG22 ILE 92 2HG2 ILE 92 -3.564 13.542 -4.654 732 HG23 ILE 92 3HG2 ILE 92 -2.051 14.433 -4.386 733 HD11 ILE 92 3HD1 ILE 92 -6.376 13.136 -2.091 734 HD12 ILE 92 1HD1 ILE 92 -5.089 11.963 -2.408 735 HD13 ILE 92 2HD1 ILE 92 -5.490 13.176 -3.622 736 HA PRO 93 HA PRO 93 1.487 13.156 -4.480 737 HB2 PRO 93 2HB PRO 93 2.752 12.546 -1.834 738 HB3 PRO 93 1HB PRO 93 3.272 13.686 -3.079 739 HG2 PRO 93 2HG PRO 93 2.042 14.556 -0.863 740 HG3 PRO 93 1HG PRO 93 1.704 15.297 -2.432 741 HD2 PRO 93 2HD PRO 93 -0.004 13.503 -0.833 742 HD3 PRO 93 1HD PRO 93 -0.405 14.775 -1.995 743 H LEU 94 H LEU 94 0.882 10.812 -1.887 744 HA LEU 94 HA LEU 94 2.360 8.657 -3.089 745 HB2 LEU 94 2HB LEU 94 0.487 8.912 -0.792 746 HB3 LEU 94 1HB LEU 94 0.893 7.312 -1.378 747 HG LEU 94 HG LEU 94 2.084 7.833 0.585 748 HD11 LEU 94 1HD1 LEU 94 3.919 7.928 -1.789 749 HD12 LEU 94 2HD1 LEU 94 3.251 6.498 -1.000 750 HD13 LEU 94 3HD1 LEU 94 4.399 7.520 -0.137 751 HD21 LEU 94 3HD2 LEU 94 2.058 10.229 0.595 752 HD22 LEU 94 1HD2 LEU 94 3.103 10.291 -0.823 753 HD23 LEU 94 2HD2 LEU 94 3.731 9.689 0.713 754 H VAL 95 H VAL 95 -1.026 9.788 -3.160 755 HA VAL 95 HA VAL 95 -2.098 7.424 -4.070 756 HB VAL 95 HB VAL 95 -3.966 8.446 -4.310 757 HG11 VAL 95 1HG1 VAL 95 -2.874 9.924 -2.129 758 HG12 VAL 95 2HG1 VAL 95 -3.782 8.426 -2.198 759 HG13 VAL 95 3HG1 VAL 95 -4.581 9.948 -2.582 760 HG21 VAL 95 3HG2 VAL 95 -4.667 10.697 -4.762 761 HG22 VAL 95 1HG2 VAL 95 -3.690 9.978 -6.018 762 HG23 VAL 95 2HG2 VAL 95 -2.957 11.196 -4.947 763 H SER 96 H SER 96 -0.619 9.964 -5.498 764 HA SER 96 HA SER 96 -1.245 9.581 -8.249 765 HB2 SER 96 2HB SER 96 -0.554 11.654 -7.254 766 HB3 SER 96 1HB SER 96 1.056 11.019 -6.972 767 HG SER 96 HG SER 96 0.039 12.111 -9.212 768 H ILE 97 H ILE 97 0.944 7.887 -6.175 769 HA ILE 97 HA ILE 97 3.065 7.507 -8.052 770 HB ILE 97 HB ILE 97 3.157 7.364 -5.456 771 HG12 ILE 97 2HG1 ILE 97 4.539 5.229 -7.081 772 HG13 ILE 97 1HG1 ILE 97 5.032 6.915 -7.042 773 HG21 ILE 97 1HG2 ILE 97 2.405 4.494 -6.107 774 HG22 ILE 97 2HG2 ILE 97 1.373 5.626 -5.286 775 HG23 ILE 97 3HG2 ILE 97 2.883 5.102 -4.517 776 HD11 ILE 97 3HD1 ILE 97 6.403 5.533 -5.625 777 HD12 ILE 97 1HD1 ILE 97 4.981 5.051 -4.703 778 HD13 ILE 97 2HD1 ILE 97 5.516 6.737 -4.679 779 H TRP 98 H TRP 98 0.071 6.310 -7.975 780 HA TRP 98 HA TRP 98 0.021 3.603 -8.436 781 HB2 TRP 98 2HB TRP 98 -1.857 5.256 -8.185 782 HB3 TRP 98 1HB TRP 98 -1.620 5.671 -9.873 783 HD1 TRP 98 HD1 TRP 98 -2.657 2.824 -7.639 784 HE1 TRP 98 HE1 TRP 98 -4.271 1.262 -8.968 785 HE3 TRP 98 HE3 TRP 98 -2.216 4.958 -12.231 786 HZ2 TRP 98 HZ2 TRP 98 -5.166 0.981 -11.634 787 HZ3 TRP 98 HZ3 TRP 98 -3.460 3.994 -14.127 788 HH2 TRP 98 HH2 TRP 98 -4.903 2.050 -13.830 789 H GLY 99 H GLY 99 0.439 6.242 -10.780 790 HA2 GLY 99 2HA GLY 99 2.090 4.630 -12.446 791 HA3 GLY 99 1HA GLY 99 0.512 4.994 -13.158 792 HA PRO 100 HA PRO 100 3.220 8.748 -13.661 793 HB2 PRO 100 2HB PRO 100 3.574 8.242 -16.469 794 HB3 PRO 100 1HB PRO 100 4.814 8.300 -15.218 795 HG2 PRO 100 2HG PRO 100 4.072 6.009 -16.584 796 HG3 PRO 100 1HG PRO 100 4.868 6.034 -15.004 797 HD2 PRO 100 2HD PRO 100 1.989 5.633 -15.671 798 HD3 PRO 100 1HD PRO 100 2.972 4.872 -14.402 799 H ARG 101 H ARG 101 1.363 10.018 -13.456 800 HA ARG 101 HA ARG 101 0.005 10.583 -15.920 801 HB2 ARG 101 2HB ARG 101 -1.377 8.965 -14.733 802 HB3 ARG 101 1HB ARG 101 -1.302 9.948 -13.279 803 HG2 ARG 101 2HG ARG 101 -2.422 11.718 -14.389 804 HG3 ARG 101 1HG ARG 101 -2.502 10.774 -15.884 805 HD2 ARG 101 2HD ARG 101 -3.778 9.052 -14.669 806 HD3 ARG 101 1HD ARG 101 -3.788 10.085 -13.240 807 HE ARG 101 HE ARG 101 -4.840 11.559 -15.320 808 HH11 ARG 101 1HH1 ARG 101 -5.623 8.562 -13.628 809 HH12 ARG 101 2HH1 ARG 101 -7.311 8.703 -13.796 810 HH21 ARG 101 1HH2 ARG 101 -7.144 11.755 -15.641 811 HH22 ARG 101 2HH2 ARG 101 -8.203 10.567 -15.028 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 -17.252 18.016 -2.922 2 H2 GLY 1 2H GLY 1 -17.666 16.430 -2.550 3 H3 GLY 1 3H GLY 1 -18.391 17.229 -3.893 4 HA2 GLY 1 1HA GLY 1 -16.648 15.702 -4.611 5 HA3 GLY 1 2HA GLY 1 -16.292 17.390 -4.963 6 HA PRO 2 HA PRO 2 -13.372 15.565 -1.538 7 HB2 PRO 2 2HB PRO 2 -12.201 13.518 -3.297 8 HB3 PRO 2 1HB PRO 2 -12.706 13.384 -1.611 9 HG2 PRO 2 2HG PRO 2 -14.077 12.205 -3.601 10 HG3 PRO 2 1HG PRO 2 -14.879 12.855 -2.164 11 HD2 PRO 2 2HD PRO 2 -14.670 14.026 -4.909 12 HD3 PRO 2 1HD PRO 2 -16.040 14.004 -3.780 13 H LEU 3 H LEU 3 -12.201 17.314 -1.761 14 HA LEU 3 HA LEU 3 -10.474 18.646 -2.185 15 HB2 LEU 3 2HB LEU 3 -9.481 16.415 -3.950 16 HB3 LEU 3 1HB LEU 3 -8.564 17.858 -3.577 17 HG LEU 3 HG LEU 3 -9.453 15.766 -1.585 18 HD11 LEU 3 1HD1 LEU 3 -6.746 16.396 -2.729 19 HD12 LEU 3 2HD1 LEU 3 -7.712 14.948 -3.033 20 HD13 LEU 3 3HD1 LEU 3 -7.071 15.261 -1.422 21 HD21 LEU 3 3HD2 LEU 3 -7.744 18.232 -1.208 22 HD22 LEU 3 1HD2 LEU 3 -8.006 16.970 -0.004 23 HD23 LEU 3 2HD2 LEU 3 -9.357 17.962 -0.544 24 H GLY 4 H GLY 4 -9.495 20.053 -3.813 25 HA2 GLY 4 2HA GLY 4 -11.528 20.748 -5.737 26 HA3 GLY 4 1HA GLY 4 -10.088 21.691 -5.354 27 H SER 5 H SER 5 -11.445 19.137 -7.208 28 HA SER 5 HA SER 5 -10.837 17.990 -9.009 29 HB2 SER 5 2HB SER 5 -8.572 19.986 -9.298 30 HB3 SER 5 1HB SER 5 -9.157 18.897 -10.560 31 HG SER 5 HG SER 5 -10.570 21.027 -9.319 32 H MET 6 H MET 6 -10.289 16.084 -8.196 33 HA MET 6 HA MET 6 -7.832 15.862 -6.702 34 HB2 MET 6 2HB MET 6 -9.916 14.998 -5.922 35 HB3 MET 6 1HB MET 6 -9.919 13.739 -7.151 36 HG2 MET 6 2HG MET 6 -7.889 12.731 -6.102 37 HG3 MET 6 1HG MET 6 -7.881 14.066 -4.942 38 HE1 MET 6 3HE MET 6 -8.920 11.091 -2.682 39 HE2 MET 6 1HE MET 6 -7.851 12.478 -2.872 40 HE3 MET 6 2HE MET 6 -7.723 11.109 -3.975 41 H ASP 7 H ASP 7 -7.121 16.411 -8.739 42 HA ASP 7 HA ASP 7 -5.579 14.154 -9.822 43 HB2 ASP 7 2HB ASP 7 -6.867 16.310 -11.549 44 HB3 ASP 7 1HB ASP 7 -5.533 15.281 -12.069 45 H ALA 8 H ALA 8 -5.389 16.203 -7.868 46 HA ALA 8 HA ALA 8 -3.692 18.352 -8.750 47 HB1 ALA 8 3HB ALA 8 -5.205 18.581 -6.812 48 HB2 ALA 8 1HB ALA 8 -3.517 18.813 -6.342 49 HB3 ALA 8 2HB ALA 8 -4.334 17.289 -5.995 50 H GLU 9 H GLU 9 -3.548 15.281 -7.297 51 HA GLU 9 HA GLU 9 -0.997 15.011 -6.383 52 HB2 GLU 9 2HB GLU 9 -1.363 12.541 -7.222 53 HB3 GLU 9 1HB GLU 9 -2.237 13.163 -5.842 54 HG2 GLU 9 2HG GLU 9 -3.417 13.227 -8.618 55 HG3 GLU 9 1HG GLU 9 -3.410 11.764 -7.581 56 H SER 10 H SER 10 -2.168 14.499 -9.642 57 HA SER 10 HA SER 10 0.062 13.452 -10.889 58 HB2 SER 10 2HB SER 10 -2.015 15.357 -11.938 59 HB3 SER 10 1HB SER 10 -1.042 14.250 -12.908 60 HG SER 10 HG SER 10 -1.940 12.557 -11.634 61 H ILE 11 H ILE 11 -0.899 16.725 -10.259 62 HA ILE 11 HA ILE 11 1.181 17.958 -11.744 63 HB ILE 11 HB ILE 11 -1.067 18.909 -9.978 64 HG12 ILE 11 2HG1 ILE 11 -2.176 19.637 -11.831 65 HG13 ILE 11 1HG1 ILE 11 -0.805 19.501 -12.972 66 HG21 ILE 11 1HG2 ILE 11 -0.590 21.201 -10.643 67 HG22 ILE 11 2HG2 ILE 11 0.877 20.664 -11.455 68 HG23 ILE 11 3HG2 ILE 11 0.728 20.495 -9.705 69 HD11 ILE 11 3HD1 ILE 11 -2.618 17.957 -13.392 70 HD12 ILE 11 1HD1 ILE 11 -2.610 17.425 -11.710 71 HD13 ILE 11 2HD1 ILE 11 -1.249 17.041 -12.759 72 H ARG 12 H ARG 12 0.347 17.414 -8.327 73 HA ARG 12 HA ARG 12 2.188 19.291 -7.348 74 HB2 ARG 12 2HB ARG 12 0.663 17.152 -5.933 75 HB3 ARG 12 1HB ARG 12 1.645 18.364 -5.130 76 HG2 ARG 12 2HG ARG 12 -0.794 18.862 -6.832 77 HG3 ARG 12 1HG ARG 12 -0.691 19.013 -5.077 78 HD2 ARG 12 2HD ARG 12 0.931 20.821 -5.328 79 HD3 ARG 12 1HD ARG 12 0.855 20.662 -7.080 80 HE ARG 12 HE ARG 12 -1.716 21.089 -6.102 81 HH11 ARG 12 1HH1 ARG 12 1.340 22.797 -6.623 82 HH12 ARG 12 2HH1 ARG 12 0.623 24.338 -6.636 83 HH21 ARG 12 1HH2 ARG 12 -2.678 23.193 -6.174 84 HH22 ARG 12 2HH2 ARG 12 -1.708 24.570 -6.372 85 H LEU 13 H LEU 13 2.414 15.682 -6.869 86 HA LEU 13 HA LEU 13 5.237 15.742 -7.114 87 HB2 LEU 13 2HB LEU 13 4.794 17.192 -5.038 88 HB3 LEU 13 1HB LEU 13 4.275 15.738 -4.246 89 HG LEU 13 HG LEU 13 6.565 16.511 -3.628 90 HD11 LEU 13 1HD1 LEU 13 6.502 13.785 -4.877 91 HD12 LEU 13 2HD1 LEU 13 6.010 14.208 -3.238 92 HD13 LEU 13 3HD1 LEU 13 7.699 14.368 -3.720 93 HD21 LEU 13 3HD2 LEU 13 8.420 16.158 -5.168 94 HD22 LEU 13 1HD2 LEU 13 7.288 17.365 -5.773 95 HD23 LEU 13 2HD2 LEU 13 7.280 15.732 -6.443 96 H ASN 14 H ASN 14 5.949 13.689 -7.227 97 HA ASN 14 HA ASN 14 5.045 11.667 -5.433 98 HB2 ASN 14 2HB ASN 14 4.808 9.921 -7.255 99 HB3 ASN 14 1HB ASN 14 3.509 11.098 -7.255 100 HD21 ASN 14 1HD2 ASN 14 3.206 12.314 -8.991 101 HD22 ASN 14 2HD2 ASN 14 4.067 12.199 -10.481 102 H ASN 15 H ASN 15 6.759 10.221 -4.983 103 HA ASN 15 HA ASN 15 9.164 10.484 -6.577 104 HB2 ASN 15 2HB ASN 15 9.179 12.473 -5.040 105 HB3 ASN 15 1HB ASN 15 9.173 11.362 -3.678 106 HD21 ASN 15 1HD2 ASN 15 11.044 12.805 -6.174 107 HD22 ASN 15 2HD2 ASN 15 12.567 12.155 -5.689 108 H GLU 16 H GLU 16 10.735 8.943 -6.039 109 HA GLU 16 HA GLU 16 9.811 6.427 -5.246 110 HB2 GLU 16 2HB GLU 16 12.714 7.225 -5.232 111 HB3 GLU 16 1HB GLU 16 12.036 5.632 -5.510 112 HG2 GLU 16 2HG GLU 16 12.589 6.237 -7.652 113 HG3 GLU 16 1HG GLU 16 10.932 6.810 -7.568 114 H ASN 17 H ASN 17 11.356 8.955 -3.371 115 HA ASN 17 HA ASN 17 12.138 7.332 -1.206 116 HB2 ASN 17 2HB ASN 17 11.669 10.292 -1.376 117 HB3 ASN 17 1HB ASN 17 12.104 9.521 0.148 118 HD21 ASN 17 1HD2 ASN 17 13.169 10.375 -3.031 119 HD22 ASN 17 2HD2 ASN 17 14.833 10.022 -2.769 120 H LEU 18 H LEU 18 9.138 8.684 -2.101 121 HA LEU 18 HA LEU 18 7.846 8.436 0.440 122 HB2 LEU 18 2HB LEU 18 6.665 8.551 -2.339 123 HB3 LEU 18 1HB LEU 18 5.793 8.795 -0.838 124 HG LEU 18 HG LEU 18 7.975 10.597 -1.890 125 HD11 LEU 18 1HD1 LEU 18 4.990 10.991 -1.830 126 HD12 LEU 18 2HD1 LEU 18 5.985 10.712 -3.259 127 HD13 LEU 18 3HD1 LEU 18 6.191 12.188 -2.318 128 HD21 LEU 18 3HD2 LEU 18 6.125 10.916 0.474 129 HD22 LEU 18 1HD2 LEU 18 7.257 12.132 -0.114 130 HD23 LEU 18 2HD2 LEU 18 7.860 10.615 0.550 131 H TRP 19 H TRP 19 8.301 6.469 -2.415 132 HA TRP 19 HA TRP 19 6.601 4.319 -1.731 133 HB2 TRP 19 2HB TRP 19 7.511 4.667 -4.010 134 HB3 TRP 19 1HB TRP 19 9.123 4.319 -3.412 135 HD1 TRP 19 HD1 TRP 19 9.884 1.873 -3.631 136 HE1 TRP 19 HE1 TRP 19 8.727 -0.371 -4.144 137 HE3 TRP 19 HE3 TRP 19 5.011 3.423 -3.579 138 HZ2 TRP 19 HZ2 TRP 19 6.123 -1.354 -4.465 139 HZ3 TRP 19 HZ3 TRP 19 3.253 1.764 -3.997 140 HH2 TRP 19 HH2 TRP 19 3.796 -0.574 -4.432 141 H ALA 20 H ALA 20 10.031 4.941 -1.248 142 HA ALA 20 HA ALA 20 10.715 2.589 0.077 143 HB1 ALA 20 3HB ALA 20 12.366 4.191 -0.743 144 HB2 ALA 20 1HB ALA 20 12.630 3.782 0.951 145 HB3 ALA 20 2HB ALA 20 11.889 5.329 0.526 146 H TRP 21 H TRP 21 9.495 5.641 1.383 147 HA TRP 21 HA TRP 21 9.487 4.969 4.105 148 HB2 TRP 21 2HB TRP 21 9.068 7.217 3.827 149 HB3 TRP 21 1HB TRP 21 8.072 6.976 2.400 150 HD1 TRP 21 HD1 TRP 21 5.553 7.327 2.749 151 HE1 TRP 21 HE1 TRP 21 3.971 7.511 4.754 152 HE3 TRP 21 HE3 TRP 21 8.858 6.236 6.492 153 HZ2 TRP 21 HZ2 TRP 21 4.086 7.219 7.559 154 HZ3 TRP 21 HZ3 TRP 21 8.040 6.217 8.815 155 HH2 TRP 21 HH2 TRP 21 5.708 6.705 9.337 156 H LEU 22 H LEU 22 6.943 4.654 1.677 157 HA LEU 22 HA LEU 22 4.958 3.576 3.302 158 HB2 LEU 22 2HB LEU 22 4.624 4.475 1.027 159 HB3 LEU 22 1HB LEU 22 5.465 3.090 0.369 160 HG LEU 22 HG LEU 22 3.661 1.629 1.283 161 HD11 LEU 22 1HD1 LEU 22 2.307 4.256 1.866 162 HD12 LEU 22 2HD1 LEU 22 2.851 3.074 3.060 163 HD13 LEU 22 3HD1 LEU 22 1.548 2.669 1.945 164 HD21 LEU 22 3HD2 LEU 22 3.668 2.333 -1.045 165 HD22 LEU 22 1HD2 LEU 22 2.801 3.806 -0.613 166 HD23 LEU 22 2HD2 LEU 22 2.021 2.236 -0.422 167 H VAL 23 H VAL 23 7.288 1.972 1.201 168 HA VAL 23 HA VAL 23 6.550 -0.644 1.763 169 HB VAL 23 HB VAL 23 9.141 0.530 0.735 170 HG11 VAL 23 1HG1 VAL 23 9.809 -1.726 0.078 171 HG12 VAL 23 2HG1 VAL 23 8.425 -2.397 0.958 172 HG13 VAL 23 3HG1 VAL 23 9.714 -1.556 1.829 173 HG21 VAL 23 3HG2 VAL 23 8.390 -0.431 -1.379 174 HG22 VAL 23 1HG2 VAL 23 7.211 0.703 -0.724 175 HG23 VAL 23 2HG2 VAL 23 6.935 -1.033 -0.589 176 H ARG 24 H ARG 24 8.917 1.428 3.359 177 HA ARG 24 HA ARG 24 10.004 -0.663 4.997 178 HB2 ARG 24 2HB ARG 24 10.942 1.755 4.344 179 HB3 ARG 24 1HB ARG 24 10.069 2.239 5.773 180 HG2 ARG 24 2HG ARG 24 12.306 0.202 5.723 181 HG3 ARG 24 1HG ARG 24 12.470 1.884 6.192 182 HD2 ARG 24 2HD ARG 24 10.889 1.495 8.024 183 HD3 ARG 24 1HD ARG 24 10.788 -0.200 7.563 184 HE ARG 24 HE ARG 24 13.343 1.026 8.307 185 HH11 ARG 24 1HH1 ARG 24 11.062 -1.619 8.615 186 HH12 ARG 24 2HH1 ARG 24 11.739 -2.300 10.017 187 HH21 ARG 24 1HH2 ARG 24 14.365 0.108 10.216 188 HH22 ARG 24 2HH2 ARG 24 13.680 -1.269 10.971 189 H LEU 25 H LEU 25 7.598 1.859 5.515 190 HA LEU 25 HA LEU 25 7.135 1.253 8.241 191 HB2 LEU 25 2HB LEU 25 6.623 3.396 6.934 192 HB3 LEU 25 1HB LEU 25 5.250 2.570 6.262 193 HG LEU 25 HG LEU 25 4.619 4.162 8.029 194 HD11 LEU 25 1HD1 LEU 25 4.094 1.348 8.825 195 HD12 LEU 25 2HD1 LEU 25 3.188 2.337 7.665 196 HD13 LEU 25 3HD1 LEU 25 3.224 2.791 9.375 197 HD21 LEU 25 3HD2 LEU 25 6.629 4.034 9.386 198 HD22 LEU 25 1HD2 LEU 25 6.188 2.399 9.888 199 HD23 LEU 25 2HD2 LEU 25 5.172 3.767 10.341 200 H LEU 26 H LEU 26 5.546 0.215 5.257 201 HA LEU 26 HA LEU 26 3.581 -1.396 6.562 202 HB2 LEU 26 2HB LEU 26 4.539 -1.294 3.771 203 HB3 LEU 26 1HB LEU 26 3.180 -2.250 4.358 204 HG LEU 26 HG LEU 26 3.411 0.725 4.117 205 HD11 LEU 26 1HD1 LEU 26 1.489 -1.324 3.846 206 HD12 LEU 26 2HD1 LEU 26 2.376 -0.620 2.437 207 HD13 LEU 26 3HD1 LEU 26 1.121 0.331 3.354 208 HD21 LEU 26 3HD2 LEU 26 1.411 0.958 5.548 209 HD22 LEU 26 1HD2 LEU 26 2.821 0.430 6.463 210 HD23 LEU 26 2HD2 LEU 26 1.566 -0.727 6.017 211 H SER 27 H SER 27 6.883 -1.956 5.582 212 HA SER 27 HA SER 27 6.748 -4.766 5.621 213 HB2 SER 27 2HB SER 27 8.553 -3.541 4.515 214 HB3 SER 27 1HB SER 27 9.019 -2.777 6.015 215 HG SER 27 HG SER 27 9.492 -5.355 5.051 216 H LYS 28 H LYS 28 6.703 -2.295 8.009 217 HA LYS 28 HA LYS 28 7.478 -4.037 10.159 218 HB2 LYS 28 2HB LYS 28 6.349 -1.280 10.427 219 HB3 LYS 28 1HB LYS 28 7.330 -2.175 11.581 220 HG2 LYS 28 2HG LYS 28 9.081 -2.135 9.598 221 HG3 LYS 28 1HG LYS 28 8.040 -0.896 9.063 222 HD2 LYS 28 2HD LYS 28 9.194 -0.856 11.807 223 HD3 LYS 28 1HD LYS 28 9.962 -0.037 10.441 224 HE2 LYS 28 2HE LYS 28 7.856 1.258 10.142 225 HE3 LYS 28 1HE LYS 28 7.221 0.513 11.600 226 HZ1 LYS 28 3HZ LYS 28 8.165 2.704 12.049 227 HZ2 LYS 28 1HZ LYS 28 9.635 2.209 11.425 228 HZ3 LYS 28 2HZ LYS 28 9.048 1.526 12.852 229 H ASN 29 H ASN 29 4.718 -3.445 8.346 230 HA ASN 29 HA ASN 29 2.888 -4.140 10.502 231 HB2 ASN 29 2HB ASN 29 2.552 -1.952 8.495 232 HB3 ASN 29 1HB ASN 29 1.254 -2.538 9.380 233 HD21 ASN 29 1HD2 ASN 29 4.092 -0.662 9.546 234 HD22 ASN 29 2HD2 ASN 29 3.869 0.013 11.122 235 HA PRO 30 HA PRO 30 2.213 -6.315 6.285 236 HB2 PRO 30 2HB PRO 30 2.805 -8.831 7.700 237 HB3 PRO 30 1HB PRO 30 3.483 -8.237 6.182 238 HG2 PRO 30 2HG PRO 30 4.969 -8.358 8.411 239 HG3 PRO 30 1HG PRO 30 5.158 -7.035 7.244 240 HD2 PRO 30 2HD PRO 30 3.643 -7.059 9.834 241 HD3 PRO 30 1HD PRO 30 4.754 -5.827 9.225 242 H GLU 31 H GLU 31 1.536 -6.879 9.564 243 HA GLU 31 HA GLU 31 -0.743 -8.508 9.516 244 HB2 GLU 31 2HB GLU 31 -0.170 -6.278 11.455 245 HB3 GLU 31 1HB GLU 31 -1.151 -7.702 11.735 246 HG2 GLU 31 2HG GLU 31 0.844 -9.103 11.608 247 HG3 GLU 31 1HG GLU 31 1.828 -7.666 11.312 248 H TRP 32 H TRP 32 -0.327 -4.905 9.367 249 HA TRP 32 HA TRP 32 -3.147 -4.489 9.395 250 HB2 TRP 32 2HB TRP 32 -1.708 -2.765 10.312 251 HB3 TRP 32 1HB TRP 32 -0.808 -2.665 8.801 252 HD1 TRP 32 HD1 TRP 32 -4.120 -1.610 10.366 253 HE1 TRP 32 HE1 TRP 32 -5.207 0.176 8.856 254 HE3 TRP 32 HE3 TRP 32 -0.897 -1.829 6.483 255 HZ2 TRP 32 HZ2 TRP 32 -4.712 1.392 6.318 256 HZ3 TRP 32 HZ3 TRP 32 -1.198 -0.438 4.587 257 HH2 TRP 32 HH2 TRP 32 -3.095 1.205 4.464 258 H LEU 33 H LEU 33 -0.585 -4.497 7.043 259 HA LEU 33 HA LEU 33 -2.010 -3.471 4.889 260 HB2 LEU 33 2HB LEU 33 0.475 -3.677 5.246 261 HB3 LEU 33 1HB LEU 33 0.348 -5.334 4.808 262 HG LEU 33 HG LEU 33 1.214 -3.814 2.980 263 HD11 LEU 33 1HD1 LEU 33 0.282 -5.985 2.395 264 HD12 LEU 33 2HD1 LEU 33 -0.153 -4.716 1.215 265 HD13 LEU 33 3HD1 LEU 33 -1.325 -5.237 2.420 266 HD21 LEU 33 3HD2 LEU 33 -0.311 -2.465 1.788 267 HD22 LEU 33 1HD2 LEU 33 -0.303 -1.970 3.479 268 HD23 LEU 33 2HD2 LEU 33 -1.634 -2.951 2.847 269 H SER 34 H SER 34 -1.428 -6.806 5.839 270 HA SER 34 HA SER 34 -2.738 -8.073 3.711 271 HB2 SER 34 2HB SER 34 -2.533 -8.996 6.588 272 HB3 SER 34 1HB SER 34 -2.976 -10.030 5.228 273 HG SER 34 HG SER 34 -0.529 -8.738 5.765 274 H ALA 35 H ALA 35 -4.088 -7.065 6.818 275 HA ALA 35 HA ALA 35 -6.732 -7.763 6.499 276 HB1 ALA 35 3HB ALA 35 -5.602 -5.378 7.949 277 HB2 ALA 35 1HB ALA 35 -5.788 -7.003 8.606 278 HB3 ALA 35 2HB ALA 35 -7.213 -6.056 8.173 279 H LYS 36 H LYS 36 -5.066 -4.827 5.475 280 HA LYS 36 HA LYS 36 -7.475 -3.715 4.463 281 HB2 LYS 36 2HB LYS 36 -4.599 -2.785 4.201 282 HB3 LYS 36 1HB LYS 36 -5.935 -1.904 3.480 283 HG2 LYS 36 2HG LYS 36 -5.713 -2.591 6.369 284 HG3 LYS 36 1HG LYS 36 -5.224 -1.062 5.644 285 HD2 LYS 36 2HD LYS 36 -8.004 -2.194 5.407 286 HD3 LYS 36 1HD LYS 36 -7.532 -1.040 6.676 287 HE2 LYS 36 2HE LYS 36 -6.861 0.478 4.780 288 HE3 LYS 36 1HE LYS 36 -7.591 -0.711 3.701 289 HZ1 LYS 36 3HZ LYS 36 -8.935 0.711 5.890 290 HZ2 LYS 36 1HZ LYS 36 -9.716 -0.371 4.844 291 HZ3 LYS 36 2HZ LYS 36 -9.112 1.089 4.249 292 H LEU 37 H LEU 37 -4.990 -5.661 3.087 293 HA LEU 37 HA LEU 37 -5.770 -5.441 0.403 294 HB2 LEU 37 2HB LEU 37 -4.709 -7.872 1.838 295 HB3 LEU 37 1HB LEU 37 -4.869 -7.714 0.107 296 HG LEU 37 HG LEU 37 -3.015 -6.165 1.894 297 HD11 LEU 37 1HD1 LEU 37 -2.497 -8.265 -0.201 298 HD12 LEU 37 2HD1 LEU 37 -2.311 -8.452 1.542 299 HD13 LEU 37 3HD1 LEU 37 -1.257 -7.352 0.654 300 HD21 LEU 37 3HD2 LEU 37 -3.376 -6.005 -1.099 301 HD22 LEU 37 1HD2 LEU 37 -2.090 -5.220 -0.181 302 HD23 LEU 37 2HD2 LEU 37 -3.765 -4.741 0.069 303 H ARG 38 H ARG 38 -7.135 -7.102 3.102 304 HA ARG 38 HA ARG 38 -8.762 -8.931 1.739 305 HB2 ARG 38 2HB ARG 38 -9.456 -7.635 4.355 306 HB3 ARG 38 1HB ARG 38 -10.000 -9.195 3.757 307 HG2 ARG 38 2HG ARG 38 -7.491 -9.917 3.889 308 HG3 ARG 38 1HG ARG 38 -7.286 -8.389 4.629 309 HD2 ARG 38 2HD ARG 38 -8.848 -8.899 6.381 310 HD3 ARG 38 1HD ARG 38 -9.185 -10.456 5.619 311 HE ARG 38 HE ARG 38 -6.417 -10.004 6.338 312 HH11 ARG 38 1HH1 ARG 38 -9.520 -11.324 7.437 313 HH12 ARG 38 2HH1 ARG 38 -8.837 -12.371 8.577 314 HH21 ARG 38 1HH2 ARG 38 -5.479 -11.409 7.962 315 HH22 ARG 38 2HH2 ARG 38 -6.468 -12.395 8.922 316 H SER 39 H SER 39 -9.170 -5.559 2.440 317 HA SER 39 HA SER 39 -11.963 -5.544 1.703 318 HB2 SER 39 2HB SER 39 -11.101 -4.072 3.501 319 HB3 SER 39 1HB SER 39 -10.082 -3.281 2.301 320 HG SER 39 HG SER 39 -11.766 -2.008 2.325 321 H PHE 40 H PHE 40 -8.882 -4.594 0.322 322 HA PHE 40 HA PHE 40 -10.111 -3.370 -2.011 323 HB2 PHE 40 2HB PHE 40 -7.279 -3.734 -1.128 324 HB3 PHE 40 1HB PHE 40 -7.731 -2.970 -2.659 325 HD1 PHE 40 HD2 PHE 40 -9.621 -1.193 -2.403 326 HD2 PHE 40 HD1 PHE 40 -7.017 -2.269 0.790 327 HE1 PHE 40 HE2 PHE 40 -10.104 0.954 -1.270 328 HE2 PHE 40 HE1 PHE 40 -7.502 -0.150 1.892 329 HZ PHE 40 HZ PHE 40 -9.033 1.458 0.882 330 H LEU 41 H LEU 41 -8.108 -6.282 -1.411 331 HA LEU 41 HA LEU 41 -8.298 -7.041 -4.163 332 HB2 LEU 41 2HB LEU 41 -6.929 -8.130 -1.728 333 HB3 LEU 41 1HB LEU 41 -7.013 -9.012 -3.228 334 HG LEU 41 HG LEU 41 -5.768 -7.300 -4.343 335 HD11 LEU 41 1HD1 LEU 41 -6.470 -5.434 -3.155 336 HD12 LEU 41 2HD1 LEU 41 -4.690 -5.501 -3.107 337 HD13 LEU 41 3HD1 LEU 41 -5.662 -5.980 -1.687 338 HD21 LEU 41 3HD2 LEU 41 -3.621 -7.666 -3.166 339 HD22 LEU 41 1HD2 LEU 41 -4.565 -9.139 -3.392 340 HD23 LEU 41 2HD2 LEU 41 -4.526 -8.350 -1.820 341 HA PRO 42 HA PRO 42 -11.960 -9.476 -3.096 342 HB2 PRO 42 2HB PRO 42 -11.506 -10.535 -5.821 343 HB3 PRO 42 1HB PRO 42 -12.947 -9.768 -5.152 344 HG2 PRO 42 2HG PRO 42 -11.386 -8.508 -6.929 345 HG3 PRO 42 1HG PRO 42 -12.187 -7.635 -5.608 346 HD2 PRO 42 2HD PRO 42 -9.321 -8.480 -5.858 347 HD3 PRO 42 1HD PRO 42 -10.001 -6.995 -5.176 348 H THR 43 H THR 43 -9.156 -10.687 -4.846 349 HA THR 43 HA THR 43 -9.618 -13.396 -3.981 350 HB THR 43 HB THR 43 -8.852 -13.067 -6.279 351 HG1 THR 43 HG1 THR 43 -7.720 -14.722 -4.551 352 HG21 THR 43 3HG2 THR 43 -7.574 -11.022 -5.930 353 HG22 THR 43 1HG2 THR 43 -6.586 -12.235 -6.757 354 HG23 THR 43 2HG2 THR 43 -6.360 -11.928 -5.028 355 H MET 44 H MET 44 -8.188 -10.800 -2.526 356 HA MET 44 HA MET 44 -6.295 -10.327 -1.373 357 HB2 MET 44 2HB MET 44 -7.097 -12.520 0.480 358 HB3 MET 44 1HB MET 44 -6.650 -10.831 0.628 359 HG2 MET 44 2HG MET 44 -8.662 -9.996 0.234 360 HG3 MET 44 1HG MET 44 -9.293 -11.468 -0.540 361 HE1 MET 44 3HE MET 44 -11.587 -11.277 2.563 362 HE2 MET 44 1HE MET 44 -11.485 -11.549 0.824 363 HE3 MET 44 2HE MET 44 -11.061 -9.973 1.499 364 H ASP 45 H ASP 45 -4.369 -11.034 -2.544 365 HA ASP 45 HA ASP 45 -3.608 -13.674 -1.706 366 HB2 ASP 45 2HB ASP 45 -1.876 -13.685 -3.500 367 HB3 ASP 45 1HB ASP 45 -3.508 -13.515 -4.101 368 H LEU 46 H LEU 46 -3.505 -12.697 0.266 369 HA LEU 46 HA LEU 46 -1.187 -11.066 0.834 370 HB2 LEU 46 2HB LEU 46 -2.196 -10.882 3.118 371 HB3 LEU 46 1HB LEU 46 -3.242 -10.344 1.825 372 HG LEU 46 HG LEU 46 -4.373 -12.637 2.006 373 HD11 LEU 46 1HD1 LEU 46 -3.013 -12.612 4.683 374 HD12 LEU 46 2HD1 LEU 46 -2.748 -13.771 3.381 375 HD13 LEU 46 3HD1 LEU 46 -4.315 -13.698 4.190 376 HD21 LEU 46 3HD2 LEU 46 -5.436 -10.570 2.652 377 HD22 LEU 46 1HD2 LEU 46 -4.652 -10.623 4.228 378 HD23 LEU 46 2HD2 LEU 46 -5.838 -11.851 3.793 379 H ASP 47 H ASP 47 -2.173 -14.283 0.922 380 HA ASP 47 HA ASP 47 -0.015 -15.049 2.696 381 HB2 ASP 47 2HB ASP 47 -2.308 -16.079 2.948 382 HB3 ASP 47 1HB ASP 47 -2.084 -16.827 1.372 383 H CYS 48 H CYS 48 -0.238 -14.151 -0.298 384 HA CYS 48 HA CYS 48 1.277 -16.219 -1.639 385 HB2 CYS 48 2HB CYS 48 -0.462 -14.938 -2.833 386 HB3 CYS 48 1HB CYS 48 0.428 -13.446 -2.555 387 HG CYS 48 HG CYS 48 2.667 -14.796 -3.971 388 H SER 49 H SER 49 2.254 -14.664 0.733 389 HA SER 49 HA SER 49 4.450 -13.083 -0.148 390 HB2 SER 49 2HB SER 49 3.936 -14.357 2.557 391 HB3 SER 49 1HB SER 49 5.037 -13.022 2.211 392 HG SER 49 HG SER 49 2.274 -13.000 2.515 393 H TYR 50 H TYR 50 5.595 -14.222 -1.514 394 HA TYR 50 HA TYR 50 6.501 -16.859 -1.119 395 HB2 TYR 50 2HB TYR 50 8.153 -16.007 -3.026 396 HB3 TYR 50 1HB TYR 50 6.484 -16.491 -3.372 397 HD1 TYR 50 HD1 TYR 50 8.464 -13.444 -2.398 398 HD2 TYR 50 HD2 TYR 50 5.227 -15.016 -4.655 399 HE1 TYR 50 HE1 TYR 50 8.090 -11.224 -3.401 400 HE2 TYR 50 HE2 TYR 50 4.837 -12.803 -5.648 401 HH TYR 50 HH TYR 50 7.075 -10.209 -5.313 402 H GLU 51 H GLU 51 7.625 -13.979 -0.041 403 HA GLU 51 HA GLU 51 10.041 -15.152 0.968 404 HB2 GLU 51 2HB GLU 51 9.500 -12.636 -0.522 405 HB3 GLU 51 1HB GLU 51 10.841 -12.792 0.552 406 HG2 GLU 51 2HG GLU 51 11.750 -14.606 -0.820 407 HG3 GLU 51 1HG GLU 51 10.324 -14.548 -1.851 408 HA PRO 52 HA PRO 52 8.723 -13.062 4.799 409 HB2 PRO 52 2HB PRO 52 10.972 -11.552 5.416 410 HB3 PRO 52 1HB PRO 52 10.806 -13.279 5.744 411 HG2 PRO 52 2HG PRO 52 12.113 -11.916 3.424 412 HG3 PRO 52 1HG PRO 52 12.712 -13.257 4.425 413 HD2 PRO 52 2HD PRO 52 11.689 -13.766 2.062 414 HD3 PRO 52 1HD PRO 52 11.263 -14.789 3.444 415 H SER 53 H SER 53 9.687 -10.446 5.646 416 HA SER 53 HA SER 53 7.720 -8.797 4.424 417 HB2 SER 53 2HB SER 53 8.769 -7.166 6.114 418 HB3 SER 53 1HB SER 53 8.004 -8.631 6.740 419 HG SER 53 HG SER 53 10.776 -8.474 6.146 420 H ASN 54 H ASN 54 9.673 -9.487 2.492 421 HA ASN 54 HA ASN 54 11.704 -7.543 2.199 422 HB2 ASN 54 2HB ASN 54 10.601 -9.793 0.689 423 HB3 ASN 54 1HB ASN 54 11.625 -8.701 -0.190 424 HD21 ASN 54 1HD2 ASN 54 12.327 -11.361 0.128 425 HD22 ASN 54 2HD2 ASN 54 13.613 -11.511 1.254 426 HA PRO 55 HA PRO 55 9.624 -4.219 0.214 427 HB2 PRO 55 2HB PRO 55 11.501 -3.520 -1.696 428 HB3 PRO 55 1HB PRO 55 11.569 -3.040 0.001 429 HG2 PRO 55 2HG PRO 55 12.970 -5.274 -1.392 430 HG3 PRO 55 1HG PRO 55 13.591 -4.163 -0.159 431 HD2 PRO 55 2HD PRO 55 12.876 -6.667 0.453 432 HD3 PRO 55 1HD PRO 55 12.565 -5.333 1.579 433 H GLU 56 H GLU 56 10.999 -6.673 -1.917 434 HA GLU 56 HA GLU 56 9.381 -5.905 -4.140 435 HB2 GLU 56 2HB GLU 56 11.089 -8.324 -3.616 436 HB3 GLU 56 1HB GLU 56 10.260 -8.019 -5.141 437 HG2 GLU 56 2HG GLU 56 11.475 -6.011 -5.510 438 HG3 GLU 56 1HG GLU 56 12.179 -6.073 -3.901 439 H VAL 57 H VAL 57 9.011 -7.912 -1.436 440 HA VAL 57 HA VAL 57 6.827 -9.469 -2.394 441 HB VAL 57 HB VAL 57 7.778 -8.798 0.402 442 HG11 VAL 57 1HG1 VAL 57 6.437 -10.686 1.165 443 HG12 VAL 57 2HG1 VAL 57 5.813 -10.929 -0.473 444 HG13 VAL 57 3HG1 VAL 57 5.394 -9.465 0.426 445 HG21 VAL 57 3HG2 VAL 57 9.340 -10.033 -0.954 446 HG22 VAL 57 1HG2 VAL 57 8.112 -11.264 -1.250 447 HG23 VAL 57 2HG2 VAL 57 8.717 -10.992 0.394 448 H ILE 58 H ILE 58 7.288 -6.663 -0.391 449 HA ILE 58 HA ILE 58 4.666 -5.913 0.095 450 HB ILE 58 HB ILE 58 7.116 -4.175 -0.262 451 HG12 ILE 58 2HG1 ILE 58 7.419 -5.810 1.515 452 HG13 ILE 58 1HG1 ILE 58 7.211 -4.197 2.185 453 HG21 ILE 58 1HG2 ILE 58 5.156 -2.818 -0.474 454 HG22 ILE 58 2HG2 ILE 58 5.916 -2.499 1.094 455 HG23 ILE 58 3HG2 ILE 58 4.472 -3.513 0.989 456 HD11 ILE 58 3HD1 ILE 58 6.036 -5.839 3.517 457 HD12 ILE 58 1HD1 ILE 58 5.115 -6.359 2.103 458 HD13 ILE 58 2HD1 ILE 58 4.895 -4.735 2.752 459 H HIS 59 H HIS 59 6.771 -5.286 -2.635 460 HA HIS 59 HA HIS 59 5.260 -3.452 -4.095 461 HB2 HIS 59 2HB HIS 59 7.554 -4.001 -4.755 462 HB3 HIS 59 1HB HIS 59 7.080 -5.647 -5.129 463 HD1 HIS 59 HD1 HIS 59 6.718 -6.061 -7.572 464 HD2 HIS 59 HD2 HIS 59 6.134 -2.065 -6.574 465 HE1 HIS 59 HE1 HIS 59 6.280 -4.882 -9.720 466 HE2 HIS 59 HE2 HIS 59 6.229 -2.457 -9.106 467 H ARG 60 H ARG 60 4.980 -6.998 -4.148 468 HA ARG 60 HA ARG 60 3.048 -7.349 -6.071 469 HB2 ARG 60 2HB ARG 60 4.028 -9.269 -5.236 470 HB3 ARG 60 1HB ARG 60 3.937 -8.715 -3.576 471 HG2 ARG 60 2HG ARG 60 2.457 -10.522 -3.760 472 HG3 ARG 60 1HG ARG 60 1.526 -9.072 -3.644 473 HD2 ARG 60 2HD ARG 60 0.492 -10.406 -5.391 474 HD3 ARG 60 1HD ARG 60 1.250 -8.917 -5.984 475 HE ARG 60 HE ARG 60 3.146 -10.364 -6.689 476 HH11 ARG 60 1HH1 ARG 60 -0.092 -11.836 -6.396 477 HH12 ARG 60 2HH1 ARG 60 0.141 -12.845 -7.743 478 HH21 ARG 60 1HH2 ARG 60 3.395 -11.766 -8.514 479 HH22 ARG 60 2HH2 ARG 60 2.146 -12.838 -8.959 480 H GLN 61 H GLN 61 2.687 -6.930 -2.647 481 HA GLN 61 HA GLN 61 -0.082 -7.018 -2.408 482 HB2 GLN 61 2HB GLN 61 1.862 -5.507 -0.689 483 HB3 GLN 61 1HB GLN 61 0.287 -6.145 -0.217 484 HG2 GLN 61 2HG GLN 61 1.040 -8.356 -0.698 485 HG3 GLN 61 1HG GLN 61 2.633 -7.805 -1.106 486 HE21 GLN 61 1HE2 GLN 61 1.906 -9.637 0.977 487 HE22 GLN 61 2HE2 GLN 61 2.460 -8.951 2.467 488 H LEU 62 H LEU 62 2.044 -4.348 -2.842 489 HA LEU 62 HA LEU 62 -0.136 -2.453 -2.680 490 HB2 LEU 62 2HB LEU 62 2.813 -2.073 -3.105 491 HB3 LEU 62 1HB LEU 62 1.711 -0.738 -3.353 492 HG LEU 62 HG LEU 62 2.809 -0.639 -1.134 493 HD11 LEU 62 1HD1 LEU 62 -0.125 -1.208 -0.895 494 HD12 LEU 62 2HD1 LEU 62 0.593 0.333 -1.360 495 HD13 LEU 62 3HD1 LEU 62 0.863 -0.316 0.256 496 HD21 LEU 62 3HD2 LEU 62 1.320 -3.175 -0.503 497 HD22 LEU 62 1HD2 LEU 62 2.276 -2.220 0.627 498 HD23 LEU 62 2HD2 LEU 62 3.060 -3.046 -0.726 499 H ASN 63 H ASN 63 1.691 -3.945 -5.266 500 HA ASN 63 HA ASN 63 0.989 -2.620 -7.546 501 HB2 ASN 63 2HB ASN 63 2.449 -4.583 -7.374 502 HB3 ASN 63 1HB ASN 63 1.064 -5.513 -6.860 503 HD21 ASN 63 1HD2 ASN 63 2.427 -3.928 -9.631 504 HD22 ASN 63 2HD2 ASN 63 1.439 -4.821 -10.728 505 H ARG 64 H ARG 64 -0.649 -5.120 -5.841 506 HA ARG 64 HA ARG 64 -2.879 -5.560 -7.336 507 HB2 ARG 64 2HB ARG 64 -2.424 -5.767 -4.398 508 HB3 ARG 64 1HB ARG 64 -3.951 -6.228 -5.127 509 HG2 ARG 64 2HG ARG 64 -1.300 -7.387 -5.919 510 HG3 ARG 64 1HG ARG 64 -2.369 -8.115 -4.720 511 HD2 ARG 64 2HD ARG 64 -4.136 -8.057 -6.496 512 HD3 ARG 64 1HD ARG 64 -2.853 -7.673 -7.647 513 HE ARG 64 HE ARG 64 -2.489 -9.981 -5.944 514 HH11 ARG 64 1HH1 ARG 64 -3.254 -8.784 -9.208 515 HH12 ARG 64 2HH1 ARG 64 -3.150 -10.333 -9.920 516 HH21 ARG 64 1HH2 ARG 64 -2.309 -12.003 -6.945 517 HH22 ARG 64 2HH2 ARG 64 -2.613 -12.215 -8.629 518 H LEU 65 H LEU 65 -2.312 -2.971 -5.069 519 HA LEU 65 HA LEU 65 -5.050 -2.227 -4.774 520 HB2 LEU 65 2HB LEU 65 -2.561 -0.661 -4.265 521 HB3 LEU 65 1HB LEU 65 -4.171 -0.225 -3.710 522 HG LEU 65 HG LEU 65 -2.612 -2.665 -2.871 523 HD11 LEU 65 1HD1 LEU 65 -2.476 -1.519 -0.749 524 HD12 LEU 65 2HD1 LEU 65 -3.365 -0.165 -1.452 525 HD13 LEU 65 3HD1 LEU 65 -1.745 -0.551 -2.040 526 HD21 LEU 65 3HD2 LEU 65 -4.391 -2.942 -1.214 527 HD22 LEU 65 1HD2 LEU 65 -5.012 -3.092 -2.857 528 HD23 LEU 65 2HD2 LEU 65 -5.280 -1.608 -1.948 529 H PHE 66 H PHE 66 -2.382 -1.039 -6.754 530 HA PHE 66 HA PHE 66 -3.967 0.963 -8.026 531 HB2 PHE 66 2HB PHE 66 -1.500 1.106 -7.961 532 HB3 PHE 66 1HB PHE 66 -1.388 -0.345 -8.946 533 HD1 PHE 66 HD1 PHE 66 -3.118 2.962 -9.081 534 HD2 PHE 66 HD2 PHE 66 -0.898 -0.000 -11.158 535 HE1 PHE 66 HE1 PHE 66 -3.127 4.375 -11.093 536 HE2 PHE 66 HE2 PHE 66 -0.899 1.414 -13.178 537 HZ PHE 66 HZ PHE 66 -2.013 3.599 -13.144 538 H ALA 67 H ALA 67 -3.425 -2.391 -8.448 539 HA ALA 67 HA ALA 67 -4.528 -2.649 -11.022 540 HB1 ALA 67 3HB ALA 67 -4.720 -5.039 -10.500 541 HB2 ALA 67 1HB ALA 67 -4.364 -4.692 -8.809 542 HB3 ALA 67 2HB ALA 67 -3.136 -4.401 -10.043 543 H GLN 68 H GLN 68 -5.933 -2.441 -7.738 544 HA GLN 68 HA GLN 68 -8.511 -3.156 -8.531 545 HB2 GLN 68 2HB GLN 68 -7.486 -1.489 -6.259 546 HB3 GLN 68 1HB GLN 68 -9.143 -1.994 -6.434 547 HG2 GLN 68 2HG GLN 68 -6.794 -3.463 -5.318 548 HG3 GLN 68 1HG GLN 68 -8.440 -3.415 -4.920 549 HE21 GLN 68 1HE2 GLN 68 -6.556 -5.637 -5.538 550 HE22 GLN 68 2HE2 GLN 68 -7.455 -6.681 -6.583 551 H GLY 69 H GLY 69 -6.842 -0.095 -7.783 552 HA2 GLY 69 2HA GLY 69 -8.343 1.498 -9.739 553 HA3 GLY 69 1HA GLY 69 -8.827 1.622 -8.095 554 H MET 70 H MET 70 -7.310 3.259 -10.123 555 HA MET 70 HA MET 70 -4.972 4.098 -8.723 556 HB2 MET 70 2HB MET 70 -5.452 4.746 -11.066 557 HB3 MET 70 1HB MET 70 -6.881 5.612 -10.526 558 HG2 MET 70 2HG MET 70 -5.453 7.152 -9.261 559 HG3 MET 70 1HG MET 70 -4.028 6.300 -9.849 560 HE1 MET 70 3HE MET 70 -7.361 7.136 -11.840 561 HE2 MET 70 1HE MET 70 -6.924 8.681 -12.564 562 HE3 MET 70 2HE MET 70 -7.105 8.549 -10.817 563 H ALA 71 H ALA 71 -8.343 4.607 -8.645 564 HA ALA 71 HA ALA 71 -8.448 6.711 -6.693 565 HB1 ALA 71 3HB ALA 71 -10.309 6.321 -8.210 566 HB2 ALA 71 1HB ALA 71 -10.856 6.038 -6.551 567 HB3 ALA 71 2HB ALA 71 -10.459 4.674 -7.620 568 H THR 72 H THR 72 -8.668 3.179 -6.694 569 HA THR 72 HA THR 72 -9.136 2.715 -4.026 570 HB THR 72 HB THR 72 -7.538 1.123 -6.057 571 HG1 THR 72 HG1 THR 72 -10.226 1.096 -5.231 572 HG21 THR 72 3HG2 THR 72 -8.620 0.334 -3.333 573 HG22 THR 72 1HG2 THR 72 -6.947 0.276 -3.826 574 HG23 THR 72 2HG2 THR 72 -8.144 -0.857 -4.488 575 H TRP 73 H TRP 73 -6.078 3.315 -5.739 576 HA TRP 73 HA TRP 73 -4.377 2.924 -3.562 577 HB2 TRP 73 2HB TRP 73 -3.607 3.108 -5.923 578 HB3 TRP 73 1HB TRP 73 -3.989 4.828 -5.891 579 HD1 TRP 73 HD1 TRP 73 -2.145 6.417 -4.959 580 HE1 TRP 73 HE1 TRP 73 0.147 6.088 -3.891 581 HE3 TRP 73 HE3 TRP 73 -2.280 1.373 -4.391 582 HZ2 TRP 73 HZ2 TRP 73 1.715 3.961 -2.934 583 HZ3 TRP 73 HZ3 TRP 73 -0.331 0.255 -3.401 584 HH2 TRP 73 HH2 TRP 73 1.623 1.529 -2.687 585 H LYS 74 H LYS 74 -5.808 5.955 -4.792 586 HA LYS 74 HA LYS 74 -4.888 7.728 -2.862 587 HB2 LYS 74 2HB LYS 74 -7.650 7.854 -4.114 588 HB3 LYS 74 1HB LYS 74 -6.693 9.204 -3.539 589 HG2 LYS 74 2HG LYS 74 -5.032 8.642 -5.293 590 HG3 LYS 74 1HG LYS 74 -6.185 7.481 -5.901 591 HD2 LYS 74 2HD LYS 74 -7.834 9.221 -6.188 592 HD3 LYS 74 1HD LYS 74 -6.690 10.405 -5.538 593 HE2 LYS 74 2HE LYS 74 -5.124 9.786 -7.262 594 HE3 LYS 74 1HE LYS 74 -6.364 8.755 -7.998 595 HZ1 LYS 74 3HZ LYS 74 -6.326 10.914 -9.051 596 HZ2 LYS 74 1HZ LYS 74 -6.472 11.660 -7.543 597 HZ3 LYS 74 2HZ LYS 74 -7.773 10.758 -8.183 598 H SER 75 H SER 75 -7.839 5.716 -2.763 599 HA SER 75 HA SER 75 -8.795 6.628 -0.373 600 HB2 SER 75 2HB SER 75 -9.099 4.066 -1.888 601 HB3 SER 75 1HB SER 75 -10.159 4.657 -0.618 602 HG SER 75 HG SER 75 -9.809 5.574 -3.252 603 H PHE 76 H PHE 76 -6.720 3.929 -1.265 604 HA PHE 76 HA PHE 76 -6.520 2.662 1.209 605 HB2 PHE 76 2HB PHE 76 -5.756 1.621 -0.860 606 HB3 PHE 76 1HB PHE 76 -4.484 2.824 -1.013 607 HD1 PHE 76 HD2 PHE 76 -5.662 -0.053 0.928 608 HD2 PHE 76 HD1 PHE 76 -2.440 2.619 0.195 609 HE1 PHE 76 HE2 PHE 76 -4.166 -1.514 2.202 610 HE2 PHE 76 HE1 PHE 76 -0.934 1.157 1.475 611 HZ PHE 76 HZ PHE 76 -1.816 -0.928 2.469 612 H ILE 77 H ILE 77 -4.452 5.152 -0.247 613 HA ILE 77 HA ILE 77 -2.648 5.314 1.907 614 HB ILE 77 HB ILE 77 -3.354 7.501 -0.084 615 HG12 ILE 77 2HG1 ILE 77 -2.585 5.451 -1.206 616 HG13 ILE 77 1HG1 ILE 77 -1.401 6.742 -1.361 617 HG21 ILE 77 1HG2 ILE 77 -0.892 7.171 1.620 618 HG22 ILE 77 2HG2 ILE 77 -2.166 8.366 1.872 619 HG23 ILE 77 3HG2 ILE 77 -1.153 8.437 0.419 620 HD11 ILE 77 3HD1 ILE 77 -0.323 4.609 -0.950 621 HD12 ILE 77 1HD1 ILE 77 -1.245 4.404 0.540 622 HD13 ILE 77 2HD1 ILE 77 -0.058 5.700 0.410 623 H ASN 78 H ASN 78 -5.690 6.845 1.295 624 HA ASN 78 HA ASN 78 -5.734 8.723 3.407 625 HB2 ASN 78 2HB ASN 78 -7.370 8.623 1.469 626 HB3 ASN 78 1HB ASN 78 -8.101 7.229 2.223 627 HD21 ASN 78 1HD2 ASN 78 -8.067 8.367 4.970 628 HD22 ASN 78 2HD2 ASN 78 -9.262 9.602 4.961 629 H ASP 79 H ASP 79 -6.615 5.284 3.253 630 HA ASP 79 HA ASP 79 -7.498 5.163 5.981 631 HB2 ASP 79 2HB ASP 79 -6.671 2.940 4.112 632 HB3 ASP 79 1HB ASP 79 -7.283 2.751 5.750 633 H LEU 80 H LEU 80 -4.619 4.323 4.235 634 HA LEU 80 HA LEU 80 -2.976 3.073 6.048 635 HB2 LEU 80 2HB LEU 80 -2.615 3.539 3.647 636 HB3 LEU 80 1HB LEU 80 -2.442 5.192 4.029 637 HG LEU 80 HG LEU 80 -0.339 4.280 3.368 638 HD11 LEU 80 1HD1 LEU 80 1.167 4.734 5.209 639 HD12 LEU 80 2HD1 LEU 80 -0.217 4.797 6.308 640 HD13 LEU 80 3HD1 LEU 80 -0.077 5.967 5.002 641 HD21 LEU 80 3HD2 LEU 80 -0.704 2.321 5.544 642 HD22 LEU 80 1HD2 LEU 80 0.746 2.499 4.528 643 HD23 LEU 80 2HD2 LEU 80 -0.823 2.059 3.799 644 H CYS 81 H CYS 81 -3.209 6.537 5.427 645 HA CYS 81 HA CYS 81 -1.510 7.398 7.493 646 HB2 CYS 81 2HB CYS 81 -2.042 8.775 5.564 647 HB3 CYS 81 1HB CYS 81 -3.718 8.874 6.047 648 HG CYS 81 HG CYS 81 -1.385 9.977 8.204 649 H PHE 82 H PHE 82 -4.942 6.755 7.430 650 HA PHE 82 HA PHE 82 -5.554 8.033 9.923 651 HB2 PHE 82 2HB PHE 82 -7.211 7.695 8.026 652 HB3 PHE 82 1HB PHE 82 -7.145 5.994 8.382 653 HD1 PHE 82 HD1 PHE 82 -7.998 9.238 9.956 654 HD2 PHE 82 HD2 PHE 82 -8.557 5.023 9.945 655 HE1 PHE 82 HE1 PHE 82 -9.798 9.479 11.616 656 HE2 PHE 82 HE2 PHE 82 -10.356 5.254 11.607 657 HZ PHE 82 HZ PHE 82 -10.979 7.484 12.442 658 H GLU 83 H GLU 83 -5.380 4.669 8.838 659 HA GLU 83 HA GLU 83 -6.044 3.578 11.361 660 HB2 GLU 83 2HB GLU 83 -4.859 2.201 8.968 661 HB3 GLU 83 1HB GLU 83 -5.686 1.431 10.315 662 HG2 GLU 83 2HG GLU 83 -7.713 2.778 9.682 663 HG3 GLU 83 1HG GLU 83 -6.850 3.251 8.240 664 H LEU 84 H LEU 84 -2.972 3.988 9.654 665 HA LEU 84 HA LEU 84 -1.573 2.615 11.775 666 HB2 LEU 84 2HB LEU 84 -0.546 4.186 9.413 667 HB3 LEU 84 1HB LEU 84 0.469 3.286 10.522 668 HG LEU 84 HG LEU 84 -1.651 2.062 8.752 669 HD11 LEU 84 1HD1 LEU 84 1.344 2.064 8.492 670 HD12 LEU 84 2HD1 LEU 84 0.229 2.952 7.466 671 HD13 LEU 84 3HD1 LEU 84 0.226 1.191 7.450 672 HD21 LEU 84 3HD2 LEU 84 -1.288 0.781 10.787 673 HD22 LEU 84 1HD2 LEU 84 0.456 0.808 10.513 674 HD23 LEU 84 2HD2 LEU 84 -0.603 -0.053 9.397 675 H ASP 85 H ASP 85 -2.891 5.539 11.340 676 HA ASP 85 HA ASP 85 -2.769 7.582 12.167 677 HB2 ASP 85 2HB ASP 85 -3.623 6.438 14.118 678 HB3 ASP 85 1HB ASP 85 -1.994 6.037 14.643 679 H VAL 86 H VAL 86 -1.086 7.959 10.705 680 HA VAL 86 HA VAL 86 1.203 9.152 12.090 681 HB VAL 86 HB VAL 86 1.387 7.773 9.380 682 HG11 VAL 86 1HG1 VAL 86 3.533 8.951 11.124 683 HG12 VAL 86 2HG1 VAL 86 2.907 9.629 9.621 684 HG13 VAL 86 3HG1 VAL 86 3.798 8.108 9.598 685 HG21 VAL 86 3HG2 VAL 86 2.820 6.070 10.461 686 HG22 VAL 86 1HG2 VAL 86 1.166 6.043 11.079 687 HG23 VAL 86 2HG2 VAL 86 2.447 6.787 12.029 688 HA PRO 87 HA PRO 87 -0.843 12.318 9.578 689 HB2 PRO 87 2HB PRO 87 1.166 14.198 10.562 690 HB3 PRO 87 1HB PRO 87 -0.569 14.191 10.869 691 HG2 PRO 87 2HG PRO 87 1.293 13.618 12.777 692 HG3 PRO 87 1HG PRO 87 -0.355 12.977 12.796 693 HD2 PRO 87 2HD PRO 87 2.192 11.655 11.971 694 HD3 PRO 87 1HD PRO 87 0.789 10.974 12.824 695 H LEU 88 H LEU 88 -0.282 11.873 7.520 696 HA LEU 88 HA LEU 88 2.493 11.784 6.744 697 HB2 LEU 88 2HB LEU 88 0.073 11.585 4.967 698 HB3 LEU 88 1HB LEU 88 1.717 11.191 4.536 699 HG LEU 88 HG LEU 88 -0.117 9.688 6.377 700 HD11 LEU 88 1HD1 LEU 88 1.210 8.956 3.785 701 HD12 LEU 88 2HD1 LEU 88 -0.495 9.344 4.014 702 HD13 LEU 88 3HD1 LEU 88 0.194 7.898 4.759 703 HD21 LEU 88 3HD2 LEU 88 1.654 8.076 6.679 704 HD22 LEU 88 1HD2 LEU 88 2.120 9.644 7.333 705 HD23 LEU 88 2HD2 LEU 88 2.783 9.103 5.779 706 H ASP 89 H ASP 89 -0.335 13.759 6.070 707 HA ASP 89 HA ASP 89 -0.693 15.770 5.129 708 HB2 ASP 89 2HB ASP 89 0.948 16.801 6.578 709 HB3 ASP 89 1HB ASP 89 2.274 16.204 5.583 710 H MET 90 H MET 90 2.133 14.247 3.879 711 HA MET 90 HA MET 90 1.687 15.130 1.156 712 HB2 MET 90 2HB MET 90 3.712 13.269 2.418 713 HB3 MET 90 1HB MET 90 3.696 13.691 0.717 714 HG2 MET 90 2HG MET 90 4.049 15.640 2.981 715 HG3 MET 90 1HG MET 90 5.356 14.948 2.025 716 HE1 MET 90 3HE MET 90 5.001 18.078 2.419 717 HE2 MET 90 1HE MET 90 5.291 18.651 0.777 718 HE3 MET 90 2HE MET 90 6.281 17.353 1.446 719 H GLU 91 H GLU 91 -0.508 13.622 2.160 720 HA GLU 91 HA GLU 91 -0.140 10.865 1.543 721 HB2 GLU 91 2HB GLU 91 -2.495 10.516 1.839 722 HB3 GLU 91 1HB GLU 91 -1.886 11.478 3.187 723 HG2 GLU 91 2HG GLU 91 -3.551 12.384 0.834 724 HG3 GLU 91 1HG GLU 91 -4.091 12.170 2.494 725 H ILE 92 H ILE 92 -1.665 13.509 -0.181 726 HA ILE 92 HA ILE 92 -2.429 12.032 -2.558 727 HB ILE 92 HB ILE 92 -1.889 14.975 -1.912 728 HG12 ILE 92 2HG1 ILE 92 -3.798 14.079 -0.720 729 HG13 ILE 92 1HG1 ILE 92 -4.312 15.250 -1.929 730 HG21 ILE 92 1HG2 ILE 92 -2.946 15.638 -3.934 731 HG22 ILE 92 2HG2 ILE 92 -3.201 13.950 -4.369 732 HG23 ILE 92 3HG2 ILE 92 -1.549 14.598 -4.264 733 HD11 ILE 92 3HD1 ILE 92 -5.816 13.359 -1.866 734 HD12 ILE 92 1HD1 ILE 92 -4.472 12.255 -2.177 735 HD13 ILE 92 2HD1 ILE 92 -4.957 13.425 -3.406 736 HA PRO 93 HA PRO 93 2.087 13.326 -4.154 737 HB2 PRO 93 2HB PRO 93 3.194 13.045 -1.374 738 HB3 PRO 93 1HB PRO 93 3.867 13.929 -2.753 739 HG2 PRO 93 2HG PRO 93 2.583 15.283 -0.877 740 HG3 PRO 93 1HG PRO 93 2.277 15.653 -2.582 741 HD2 PRO 93 2HD PRO 93 0.549 14.196 -0.654 742 HD3 PRO 93 1HD PRO 93 0.121 15.262 -2.005 743 H LEU 94 H LEU 94 1.421 11.235 -1.326 744 HA LEU 94 HA LEU 94 2.809 8.928 -2.318 745 HB2 LEU 94 2HB LEU 94 0.907 9.475 -0.101 746 HB3 LEU 94 1HB LEU 94 0.924 7.838 -0.696 747 HG LEU 94 HG LEU 94 2.277 8.099 1.302 748 HD11 LEU 94 1HD1 LEU 94 4.323 7.052 0.499 749 HD12 LEU 94 2HD1 LEU 94 3.888 7.505 -1.154 750 HD13 LEU 94 3HD1 LEU 94 2.858 6.400 -0.237 751 HD21 LEU 94 3HD2 LEU 94 4.380 9.367 1.256 752 HD22 LEU 94 1HD2 LEU 94 2.977 10.418 1.057 753 HD23 LEU 94 2HD2 LEU 94 3.955 9.987 -0.341 754 H VAL 95 H VAL 95 -0.609 10.034 -2.530 755 HA VAL 95 HA VAL 95 -1.554 7.737 -3.694 756 HB VAL 95 HB VAL 95 -3.446 8.756 -3.970 757 HG11 VAL 95 1HG1 VAL 95 -2.499 10.215 -1.702 758 HG12 VAL 95 2HG1 VAL 95 -3.321 8.665 -1.836 759 HG13 VAL 95 3HG1 VAL 95 -4.181 10.153 -2.246 760 HG21 VAL 95 3HG2 VAL 95 -2.301 11.423 -4.557 761 HG22 VAL 95 1HG2 VAL 95 -4.027 11.161 -4.220 762 HG23 VAL 95 2HG2 VAL 95 -3.277 10.331 -5.562 763 H SER 96 H SER 96 -0.146 10.491 -4.878 764 HA SER 96 HA SER 96 -0.541 10.402 -7.643 765 HB2 SER 96 2HB SER 96 0.336 12.313 -6.301 766 HB3 SER 96 1HB SER 96 1.853 11.464 -6.181 767 HG SER 96 HG SER 96 1.259 13.095 -8.014 768 H ILE 97 H ILE 97 1.515 8.377 -5.681 769 HA ILE 97 HA ILE 97 3.518 8.051 -7.643 770 HB ILE 97 HB ILE 97 3.797 7.597 -5.133 771 HG12 ILE 97 2HG1 ILE 97 4.755 5.430 -6.987 772 HG13 ILE 97 1HG1 ILE 97 5.443 7.046 -6.948 773 HG21 ILE 97 1HG2 ILE 97 2.640 4.915 -5.924 774 HG22 ILE 97 2HG2 ILE 97 1.842 6.093 -4.896 775 HG23 ILE 97 3HG2 ILE 97 3.336 5.322 -4.350 776 HD11 ILE 97 3HD1 ILE 97 6.040 6.711 -4.605 777 HD12 ILE 97 1HD1 ILE 97 6.796 5.536 -5.687 778 HD13 ILE 97 2HD1 ILE 97 5.398 5.073 -4.701 779 H TRP 98 H TRP 98 0.440 6.549 -7.148 780 HA TRP 98 HA TRP 98 1.040 4.972 -9.481 781 HB2 TRP 98 2HB TRP 98 -0.640 4.203 -7.115 782 HB3 TRP 98 1HB TRP 98 -0.865 3.448 -8.690 783 HD1 TRP 98 HD1 TRP 98 0.871 2.817 -5.608 784 HE1 TRP 98 HE1 TRP 98 2.870 1.243 -5.925 785 HE3 TRP 98 HE3 TRP 98 1.317 3.100 -10.676 786 HZ2 TRP 98 HZ2 TRP 98 4.444 0.260 -8.040 787 HZ3 TRP 98 HZ3 TRP 98 3.095 1.823 -11.766 788 HH2 TRP 98 HH2 TRP 98 4.626 0.432 -10.488 789 H GLY 99 H GLY 99 0.458 6.414 -10.904 790 HA2 GLY 99 2HA GLY 99 -2.354 6.666 -11.362 791 HA3 GLY 99 1HA GLY 99 -1.502 8.184 -11.060 792 HA PRO 100 HA PRO 100 -0.903 7.167 -15.522 793 HB2 PRO 100 2HB PRO 100 -2.005 9.730 -16.226 794 HB3 PRO 100 1HB PRO 100 -2.704 8.141 -16.524 795 HG2 PRO 100 2HG PRO 100 -3.759 9.998 -14.787 796 HG3 PRO 100 1HG PRO 100 -4.042 8.254 -14.670 797 HD2 PRO 100 2HD PRO 100 -2.127 9.978 -13.155 798 HD3 PRO 100 1HD PRO 100 -3.140 8.640 -12.576 799 H ARG 101 H ARG 101 0.888 8.244 -13.679 800 HA ARG 101 HA ARG 101 2.642 9.641 -13.335 801 HB2 ARG 101 2HB ARG 101 4.320 9.479 -15.394 802 HB3 ARG 101 1HB ARG 101 3.977 8.099 -14.378 803 HG2 ARG 101 2HG ARG 101 3.520 6.965 -16.241 804 HG3 ARG 101 1HG ARG 101 2.077 7.948 -16.403 805 HD2 ARG 101 2HD ARG 101 4.782 8.569 -17.595 806 HD3 ARG 101 1HD ARG 101 3.405 7.887 -18.451 807 HE ARG 101 HE ARG 101 2.872 10.373 -17.143 808 HH11 ARG 101 1HH1 ARG 101 3.982 8.894 -20.157 809 HH12 ARG 101 2HH1 ARG 101 3.669 10.284 -21.100 810 HH21 ARG 101 1HH2 ARG 101 2.439 12.236 -18.450 811 HH22 ARG 101 2HH2 ARG 101 2.803 12.198 -20.124 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 -6.694 17.746 9.619 2 H2 GLY 1 2H GLY 1 -7.418 19.259 9.675 3 H3 GLY 1 3H GLY 1 -5.830 19.086 10.217 4 HA2 GLY 1 1HA GLY 1 -5.839 20.106 8.059 5 HA3 GLY 1 2HA GLY 1 -5.196 18.472 7.946 6 HA PRO 2 HA PRO 2 -9.638 18.823 5.968 7 HB2 PRO 2 2HB PRO 2 -9.117 21.107 4.214 8 HB3 PRO 2 1HB PRO 2 -10.487 20.828 5.290 9 HG2 PRO 2 2HG PRO 2 -8.627 22.729 5.785 10 HG3 PRO 2 1HG PRO 2 -9.458 21.854 7.081 11 HD2 PRO 2 2HD PRO 2 -6.714 21.439 5.973 12 HD3 PRO 2 1HD PRO 2 -7.279 21.397 7.659 13 H LEU 3 H LEU 3 -9.469 17.186 4.564 14 HA LEU 3 HA LEU 3 -7.384 17.261 2.542 15 HB2 LEU 3 2HB LEU 3 -7.583 15.272 3.946 16 HB3 LEU 3 1HB LEU 3 -9.220 15.035 3.366 17 HG LEU 3 HG LEU 3 -8.395 14.633 1.101 18 HD11 LEU 3 1HD1 LEU 3 -5.649 14.993 2.312 19 HD12 LEU 3 2HD1 LEU 3 -6.417 16.059 1.132 20 HD13 LEU 3 3HD1 LEU 3 -5.992 14.413 0.685 21 HD21 LEU 3 3HD2 LEU 3 -6.963 13.075 3.198 22 HD22 LEU 3 1HD2 LEU 3 -7.266 12.525 1.544 23 HD23 LEU 3 2HD2 LEU 3 -8.624 12.798 2.654 24 H GLY 4 H GLY 4 -7.928 18.140 0.699 25 HA2 GLY 4 2HA GLY 4 -10.493 17.441 -0.491 26 HA3 GLY 4 1HA GLY 4 -10.046 19.138 -0.373 27 H SER 5 H SER 5 -10.516 18.132 -2.788 28 HA SER 5 HA SER 5 -9.749 18.026 -4.873 29 HB2 SER 5 2HB SER 5 -7.186 19.011 -3.674 30 HB3 SER 5 1HB SER 5 -7.546 18.963 -5.400 31 HG SER 5 HG SER 5 -9.565 20.190 -4.135 32 H MET 6 H MET 6 -9.872 15.962 -5.360 33 HA MET 6 HA MET 6 -8.027 14.049 -4.346 34 HB2 MET 6 2HB MET 6 -10.439 13.592 -4.835 35 HB3 MET 6 1HB MET 6 -10.077 13.718 -6.540 36 HG2 MET 6 2HG MET 6 -10.226 11.389 -5.879 37 HG3 MET 6 1HG MET 6 -8.591 11.792 -6.396 38 HE1 MET 6 3HE MET 6 -9.835 11.230 -1.972 39 HE2 MET 6 1HE MET 6 -10.944 11.045 -3.331 40 HE3 MET 6 2HE MET 6 -10.307 12.640 -2.917 41 H ASP 7 H ASP 7 -7.995 16.189 -6.837 42 HA ASP 7 HA ASP 7 -5.896 14.754 -8.413 43 HB2 ASP 7 2HB ASP 7 -7.624 17.101 -9.213 44 HB3 ASP 7 1HB ASP 7 -6.427 16.292 -10.216 45 H ALA 8 H ALA 8 -5.719 16.276 -5.846 46 HA ALA 8 HA ALA 8 -4.050 18.539 -6.504 47 HB1 ALA 8 3HB ALA 8 -5.228 18.439 -4.365 48 HB2 ALA 8 1HB ALA 8 -3.488 18.552 -4.122 49 HB3 ALA 8 2HB ALA 8 -4.321 17.003 -3.910 50 H GLU 9 H GLU 9 -3.758 15.344 -6.537 51 HA GLU 9 HA GLU 9 -1.064 14.854 -5.960 52 HB2 GLU 9 2HB GLU 9 -1.587 12.766 -7.477 53 HB3 GLU 9 1HB GLU 9 -2.236 12.916 -5.852 54 HG2 GLU 9 2HG GLU 9 -4.079 12.212 -7.032 55 HG3 GLU 9 1HG GLU 9 -4.297 13.946 -7.070 56 H SER 10 H SER 10 -2.660 15.893 -8.807 57 HA SER 10 HA SER 10 -0.713 15.615 -10.742 58 HB2 SER 10 2HB SER 10 -2.744 17.788 -10.249 59 HB3 SER 10 1HB SER 10 -1.915 17.563 -11.794 60 HG SER 10 HG SER 10 -3.333 15.410 -10.606 61 H ILE 11 H ILE 11 -1.309 18.200 -8.481 62 HA ILE 11 HA ILE 11 0.709 19.909 -9.348 63 HB ILE 11 HB ILE 11 -0.946 19.858 -6.830 64 HG12 ILE 11 2HG1 ILE 11 -2.064 21.709 -8.488 65 HG13 ILE 11 1HG1 ILE 11 -1.508 20.518 -9.634 66 HG21 ILE 11 1HG2 ILE 11 -0.539 22.283 -6.770 67 HG22 ILE 11 2HG2 ILE 11 0.520 22.139 -8.172 68 HG23 ILE 11 3HG2 ILE 11 0.971 21.381 -6.643 69 HD11 ILE 11 3HD1 ILE 11 -2.841 18.811 -8.356 70 HD12 ILE 11 1HD1 ILE 11 -3.789 20.123 -9.069 71 HD13 ILE 11 2HD1 ILE 11 -3.399 20.147 -7.363 72 H ARG 12 H ARG 12 0.445 17.645 -6.617 73 HA ARG 12 HA ARG 12 2.937 18.449 -5.479 74 HB2 ARG 12 2HB ARG 12 1.194 16.067 -4.961 75 HB3 ARG 12 1HB ARG 12 2.597 16.497 -4.002 76 HG2 ARG 12 2HG ARG 12 0.119 18.182 -4.337 77 HG3 ARG 12 1HG ARG 12 0.494 17.181 -2.935 78 HD2 ARG 12 2HD ARG 12 2.490 18.547 -2.500 79 HD3 ARG 12 1HD ARG 12 2.122 19.536 -3.910 80 HE ARG 12 HE ARG 12 -0.135 19.683 -2.489 81 HH11 ARG 12 1HH1 ARG 12 3.236 20.274 -1.552 82 HH12 ARG 12 2HH1 ARG 12 2.855 21.481 -0.419 83 HH21 ARG 12 1HH2 ARG 12 -0.664 21.338 -0.929 84 HH22 ARG 12 2HH2 ARG 12 0.587 22.079 -0.043 85 H LEU 13 H LEU 13 1.922 15.954 -7.717 86 HA LEU 13 HA LEU 13 2.885 14.415 -8.892 87 HB2 LEU 13 2HB LEU 13 5.106 16.121 -8.252 88 HB3 LEU 13 1HB LEU 13 5.449 14.641 -9.185 89 HG LEU 13 HG LEU 13 3.757 17.047 -9.934 90 HD11 LEU 13 1HD1 LEU 13 6.159 15.773 -11.131 91 HD12 LEU 13 2HD1 LEU 13 6.134 17.286 -10.208 92 HD13 LEU 13 3HD1 LEU 13 5.327 17.186 -11.792 93 HD21 LEU 13 3HD2 LEU 13 3.353 15.879 -12.079 94 HD22 LEU 13 1HD2 LEU 13 2.572 15.076 -10.719 95 HD23 LEU 13 2HD2 LEU 13 4.060 14.420 -11.390 96 H ASN 14 H ASN 14 4.665 12.675 -8.902 97 HA ASN 14 HA ASN 14 4.407 11.316 -6.357 98 HB2 ASN 14 2HB ASN 14 5.156 9.301 -7.627 99 HB3 ASN 14 1HB ASN 14 3.729 10.047 -8.330 100 HD21 ASN 14 1HD2 ASN 14 5.708 8.266 -9.553 101 HD22 ASN 14 2HD2 ASN 14 6.368 9.139 -10.887 102 H ASN 15 H ASN 15 6.400 9.882 -5.776 103 HA ASN 15 HA ASN 15 8.949 10.979 -6.416 104 HB2 ASN 15 2HB ASN 15 8.315 12.691 -4.833 105 HB3 ASN 15 1HB ASN 15 7.722 11.493 -3.695 106 HD21 ASN 15 1HD2 ASN 15 10.533 13.024 -5.024 107 HD22 ASN 15 2HD2 ASN 15 11.646 12.440 -3.849 108 H GLU 16 H GLU 16 10.500 9.487 -6.101 109 HA GLU 16 HA GLU 16 9.707 6.827 -5.536 110 HB2 GLU 16 2HB GLU 16 12.433 7.992 -6.036 111 HB3 GLU 16 1HB GLU 16 12.115 6.274 -5.865 112 HG2 GLU 16 2HG GLU 16 10.653 6.349 -7.809 113 HG3 GLU 16 1HG GLU 16 10.956 8.079 -7.973 114 H ASN 17 H ASN 17 11.405 9.236 -3.621 115 HA ASN 17 HA ASN 17 12.315 7.477 -1.595 116 HB2 ASN 17 2HB ASN 17 11.565 10.405 -1.389 117 HB3 ASN 17 1HB ASN 17 12.346 9.494 -0.108 118 HD21 ASN 17 1HD2 ASN 17 14.195 8.032 -1.816 119 HD22 ASN 17 2HD2 ASN 17 15.297 9.203 -2.413 120 H LEU 18 H LEU 18 9.302 9.136 -2.150 121 HA LEU 18 HA LEU 18 8.036 8.437 0.280 122 HB2 LEU 18 2HB LEU 18 6.805 8.980 -2.419 123 HB3 LEU 18 1HB LEU 18 5.925 8.888 -0.908 124 HG LEU 18 HG LEU 18 7.984 10.972 -1.633 125 HD11 LEU 18 1HD1 LEU 18 4.996 11.169 -1.322 126 HD12 LEU 18 2HD1 LEU 18 5.864 11.182 -2.846 127 HD13 LEU 18 3HD1 LEU 18 6.091 12.500 -1.693 128 HD21 LEU 18 3HD2 LEU 18 7.282 12.077 0.441 129 HD22 LEU 18 1HD2 LEU 18 8.004 10.501 0.763 130 HD23 LEU 18 2HD2 LEU 18 6.253 10.699 0.825 131 H TRP 19 H TRP 19 8.348 6.820 -2.814 132 HA TRP 19 HA TRP 19 6.597 4.686 -2.246 133 HB2 TRP 19 2HB TRP 19 7.269 5.117 -4.540 134 HB3 TRP 19 1HB TRP 19 8.957 4.827 -4.140 135 HD1 TRP 19 HD1 TRP 19 9.783 2.494 -4.783 136 HE1 TRP 19 HE1 TRP 19 8.718 0.191 -5.168 137 HE3 TRP 19 HE3 TRP 19 4.938 3.624 -3.590 138 HZ2 TRP 19 HZ2 TRP 19 6.169 -0.992 -4.987 139 HZ3 TRP 19 HZ3 TRP 19 3.255 1.854 -3.725 140 HH2 TRP 19 HH2 TRP 19 3.855 -0.413 -4.405 141 H ALA 20 H ALA 20 10.087 5.050 -1.864 142 HA ALA 20 HA ALA 20 10.576 2.517 -0.754 143 HB1 ALA 20 3HB ALA 20 12.655 3.453 0.105 144 HB2 ALA 20 1HB ALA 20 12.065 5.086 -0.208 145 HB3 ALA 20 2HB ALA 20 12.369 3.984 -1.554 146 H TRP 21 H TRP 21 9.680 5.570 0.735 147 HA TRP 21 HA TRP 21 9.671 4.836 3.420 148 HB2 TRP 21 2HB TRP 21 9.305 7.113 3.211 149 HB3 TRP 21 1HB TRP 21 8.322 6.917 1.769 150 HD1 TRP 21 HD1 TRP 21 5.750 6.992 2.054 151 HE1 TRP 21 HE1 TRP 21 4.152 7.301 4.027 152 HE3 TRP 21 HE3 TRP 21 9.096 6.564 5.901 153 HZ2 TRP 21 HZ2 TRP 21 4.261 7.378 6.817 154 HZ3 TRP 21 HZ3 TRP 21 8.254 6.777 8.200 155 HH2 TRP 21 HH2 TRP 21 5.893 7.175 8.655 156 H LEU 22 H LEU 22 7.094 4.637 1.026 157 HA LEU 22 HA LEU 22 5.085 3.532 2.608 158 HB2 LEU 22 2HB LEU 22 4.861 4.567 0.328 159 HB3 LEU 22 1HB LEU 22 5.628 3.162 -0.356 160 HG LEU 22 HG LEU 22 3.185 3.289 -0.733 161 HD11 LEU 22 1HD1 LEU 22 4.082 0.900 0.844 162 HD12 LEU 22 2HD1 LEU 22 4.185 1.136 -0.900 163 HD13 LEU 22 3HD1 LEU 22 2.609 0.989 -0.122 164 HD21 LEU 22 3HD2 LEU 22 1.633 2.810 1.099 165 HD22 LEU 22 1HD2 LEU 22 2.500 4.325 1.343 166 HD23 LEU 22 2HD2 LEU 22 2.972 2.885 2.245 167 H VAL 23 H VAL 23 7.424 1.909 0.464 168 HA VAL 23 HA VAL 23 6.638 -0.696 0.950 169 HB VAL 23 HB VAL 23 9.385 0.371 0.238 170 HG11 VAL 23 1HG1 VAL 23 8.373 -2.472 0.089 171 HG12 VAL 23 2HG1 VAL 23 9.584 -1.857 1.218 172 HG13 VAL 23 3HG1 VAL 23 9.930 -1.885 -0.514 173 HG21 VAL 23 3HG2 VAL 23 7.640 0.852 -1.395 174 HG22 VAL 23 1HG2 VAL 23 7.206 -0.854 -1.446 175 HG23 VAL 23 2HG2 VAL 23 8.787 -0.329 -2.027 176 H ARG 24 H ARG 24 9.122 1.178 2.662 177 HA ARG 24 HA ARG 24 9.872 -1.044 4.325 178 HB2 ARG 24 2HB ARG 24 10.511 1.888 4.564 179 HB3 ARG 24 1HB ARG 24 11.236 0.613 5.531 180 HG2 ARG 24 2HG ARG 24 12.261 -0.350 3.582 181 HG3 ARG 24 1HG ARG 24 11.441 0.814 2.536 182 HD2 ARG 24 2HD ARG 24 13.735 1.508 2.924 183 HD3 ARG 24 1HD ARG 24 12.609 2.639 3.668 184 HE ARG 24 HE ARG 24 13.591 0.563 5.418 185 HH11 ARG 24 1HH1 ARG 24 14.032 3.907 4.280 186 HH12 ARG 24 2HH1 ARG 24 15.033 4.338 5.578 187 HH21 ARG 24 1HH2 ARG 24 14.936 1.188 7.185 188 HH22 ARG 24 2HH2 ARG 24 15.551 2.779 7.265 189 H LEU 25 H LEU 25 7.629 1.621 4.692 190 HA LEU 25 HA LEU 25 7.456 1.299 7.542 191 HB2 LEU 25 2HB LEU 25 6.978 3.409 6.153 192 HB3 LEU 25 1HB LEU 25 5.498 2.655 5.669 193 HG LEU 25 HG LEU 25 5.089 4.347 7.399 194 HD11 LEU 25 1HD1 LEU 25 3.805 3.120 8.994 195 HD12 LEU 25 2HD1 LEU 25 4.556 1.610 8.481 196 HD13 LEU 25 3HD1 LEU 25 3.574 2.536 7.352 197 HD21 LEU 25 3HD2 LEU 25 5.914 4.125 9.645 198 HD22 LEU 25 1HD2 LEU 25 7.257 4.243 8.511 199 HD23 LEU 25 2HD2 LEU 25 6.810 2.677 9.204 200 H LEU 26 H LEU 26 5.482 0.412 4.730 201 HA LEU 26 HA LEU 26 3.468 -0.930 6.133 202 HB2 LEU 26 2HB LEU 26 4.441 -1.159 3.299 203 HB3 LEU 26 1HB LEU 26 2.951 -1.840 3.906 204 HG LEU 26 HG LEU 26 3.364 0.709 2.745 205 HD11 LEU 26 1HD1 LEU 26 1.124 -0.438 4.246 206 HD12 LEU 26 2HD1 LEU 26 1.459 -0.728 2.519 207 HD13 LEU 26 3HD1 LEU 26 0.947 0.891 3.091 208 HD21 LEU 26 3HD2 LEU 26 2.359 1.022 5.581 209 HD22 LEU 26 1HD2 LEU 26 2.391 2.272 4.336 210 HD23 LEU 26 2HD2 LEU 26 3.901 1.619 4.978 211 H SER 27 H SER 27 6.670 -1.863 5.143 212 HA SER 27 HA SER 27 6.407 -4.655 5.345 213 HB2 SER 27 2HB SER 27 8.765 -2.785 5.710 214 HB3 SER 27 1HB SER 27 8.932 -4.540 5.798 215 HG SER 27 HG SER 27 8.028 -2.959 3.619 216 H LYS 28 H LYS 28 6.281 -2.156 7.686 217 HA LYS 28 HA LYS 28 7.016 -3.922 9.831 218 HB2 LYS 28 2HB LYS 28 6.252 -1.040 10.076 219 HB3 LYS 28 1HB LYS 28 7.184 -2.022 11.201 220 HG2 LYS 28 2HG LYS 28 8.811 -2.254 9.143 221 HG3 LYS 28 1HG LYS 28 7.913 -0.899 8.599 222 HD2 LYS 28 2HD LYS 28 9.289 -0.987 11.249 223 HD3 LYS 28 1HD LYS 28 9.988 -0.226 9.819 224 HE2 LYS 28 2HE LYS 28 8.134 1.346 9.741 225 HE3 LYS 28 1HE LYS 28 7.380 0.584 11.141 226 HZ1 LYS 28 3HZ LYS 28 8.556 2.540 11.846 227 HZ2 LYS 28 1HZ LYS 28 9.965 2.052 11.074 228 HZ3 LYS 28 2HZ LYS 28 9.406 1.203 12.415 229 H ASN 29 H ASN 29 4.365 -3.291 7.997 230 HA ASN 29 HA ASN 29 2.368 -3.296 10.174 231 HB2 ASN 29 2HB ASN 29 1.879 -2.295 7.392 232 HB3 ASN 29 1HB ASN 29 0.951 -2.016 8.777 233 HD21 ASN 29 1HD2 ASN 29 3.020 -1.071 10.555 234 HD22 ASN 29 2HD2 ASN 29 3.465 0.466 9.929 235 HA PRO 30 HA PRO 30 1.986 -6.592 6.629 236 HB2 PRO 30 2HB PRO 30 2.610 -8.847 8.304 237 HB3 PRO 30 1HB PRO 30 3.522 -8.255 6.917 238 HG2 PRO 30 2HG PRO 30 4.363 -8.159 9.569 239 HG3 PRO 30 1HG PRO 30 5.041 -7.205 8.241 240 HD2 PRO 30 2HD PRO 30 3.139 -6.347 10.394 241 HD3 PRO 30 1HD PRO 30 4.346 -5.426 9.524 242 H GLU 31 H GLU 31 1.122 -6.461 9.887 243 HA GLU 31 HA GLU 31 -1.046 -8.314 9.881 244 HB2 GLU 31 2HB GLU 31 -0.459 -6.044 11.779 245 HB3 GLU 31 1HB GLU 31 -1.454 -7.457 12.100 246 HG2 GLU 31 2HG GLU 31 0.498 -8.904 11.955 247 HG3 GLU 31 1HG GLU 31 1.500 -7.513 11.537 248 H TRP 32 H TRP 32 -0.631 -4.791 9.568 249 HA TRP 32 HA TRP 32 -3.436 -4.265 9.455 250 HB2 TRP 32 2HB TRP 32 -1.955 -2.574 10.386 251 HB3 TRP 32 1HB TRP 32 -1.008 -2.547 8.904 252 HD1 TRP 32 HD1 TRP 32 -4.292 -1.272 10.363 253 HE1 TRP 32 HE1 TRP 32 -5.294 0.463 8.764 254 HE3 TRP 32 HE3 TRP 32 -1.048 -1.812 6.506 255 HZ2 TRP 32 HZ2 TRP 32 -4.751 1.511 6.155 256 HZ3 TRP 32 HZ3 TRP 32 -1.299 -0.506 4.537 257 HH2 TRP 32 HH2 TRP 32 -3.139 1.194 4.329 258 H LEU 33 H LEU 33 -0.769 -4.380 7.175 259 HA LEU 33 HA LEU 33 -2.017 -3.361 4.927 260 HB2 LEU 33 2HB LEU 33 0.427 -3.722 5.435 261 HB3 LEU 33 1HB LEU 33 0.209 -5.383 5.030 262 HG LEU 33 HG LEU 33 1.315 -3.992 3.267 263 HD11 LEU 33 1HD1 LEU 33 -1.292 -5.196 2.504 264 HD12 LEU 33 2HD1 LEU 33 0.258 -6.069 2.596 265 HD13 LEU 33 3HD1 LEU 33 -0.004 -4.793 1.384 266 HD21 LEU 33 3HD2 LEU 33 -0.022 -2.548 1.914 267 HD22 LEU 33 1HD2 LEU 33 0.004 -2.003 3.591 268 HD23 LEU 33 2HD2 LEU 33 -1.417 -2.846 2.952 269 H SER 34 H SER 34 -1.617 -6.752 5.869 270 HA SER 34 HA SER 34 -2.886 -7.945 3.726 271 HB2 SER 34 2HB SER 34 -3.405 -9.798 5.403 272 HB3 SER 34 1HB SER 34 -1.710 -9.337 5.251 273 HG SER 34 HG SER 34 -1.722 -8.582 7.206 274 H ALA 35 H ALA 35 -4.335 -6.939 6.751 275 HA ALA 35 HA ALA 35 -6.986 -7.536 6.386 276 HB1 ALA 35 3HB ALA 35 -6.050 -6.694 8.478 277 HB2 ALA 35 1HB ALA 35 -7.495 -5.800 8.011 278 HB3 ALA 35 2HB ALA 35 -5.900 -5.086 7.766 279 H LYS 36 H LYS 36 -5.362 -4.552 5.360 280 HA LYS 36 HA LYS 36 -7.741 -3.463 4.128 281 HB2 LYS 36 2HB LYS 36 -4.802 -2.626 3.916 282 HB3 LYS 36 1HB LYS 36 -6.122 -1.718 3.199 283 HG2 LYS 36 2HG LYS 36 -5.929 -2.366 6.084 284 HG3 LYS 36 1HG LYS 36 -5.257 -0.915 5.346 285 HD2 LYS 36 2HD LYS 36 -8.126 -1.705 5.019 286 HD3 LYS 36 1HD LYS 36 -7.592 -0.692 6.381 287 HE2 LYS 36 2HE LYS 36 -6.641 0.838 4.573 288 HE3 LYS 36 1HE LYS 36 -7.561 -0.145 3.428 289 HZ1 LYS 36 3HZ LYS 36 -8.638 1.302 5.745 290 HZ2 LYS 36 1HZ LYS 36 -9.571 0.383 4.690 291 HZ3 LYS 36 2HZ LYS 36 -8.847 1.807 4.138 292 H LEU 37 H LEU 37 -5.145 -5.491 2.999 293 HA LEU 37 HA LEU 37 -5.856 -5.365 0.264 294 HB2 LEU 37 2HB LEU 37 -4.721 -7.712 1.758 295 HB3 LEU 37 1HB LEU 37 -4.778 -7.534 0.022 296 HG LEU 37 HG LEU 37 -3.144 -5.888 1.927 297 HD11 LEU 37 1HD1 LEU 37 -1.272 -7.060 0.997 298 HD12 LEU 37 2HD1 LEU 37 -2.324 -7.936 -0.117 299 HD13 LEU 37 3HD1 LEU 37 -2.432 -8.234 1.616 300 HD21 LEU 37 3HD2 LEU 37 -2.104 -4.970 -0.105 301 HD22 LEU 37 1HD2 LEU 37 -3.819 -4.567 -0.011 302 HD23 LEU 37 2HD2 LEU 37 -3.267 -5.851 -1.092 303 H ARG 38 H ARG 38 -7.020 -7.245 2.974 304 HA ARG 38 HA ARG 38 -8.598 -9.125 1.603 305 HB2 ARG 38 2HB ARG 38 -9.272 -7.900 4.282 306 HB3 ARG 38 1HB ARG 38 -9.786 -9.464 3.676 307 HG2 ARG 38 2HG ARG 38 -7.273 -10.119 3.702 308 HG3 ARG 38 1HG ARG 38 -7.050 -8.606 4.488 309 HD2 ARG 38 2HD ARG 38 -8.520 -9.225 6.287 310 HD3 ARG 38 1HD ARG 38 -8.823 -10.766 5.475 311 HE ARG 38 HE ARG 38 -6.460 -11.295 5.771 312 HH11 ARG 38 1HH1 ARG 38 -7.869 -8.934 8.025 313 HH12 ARG 38 2HH1 ARG 38 -6.635 -9.104 9.184 314 HH21 ARG 38 1HH2 ARG 38 -4.767 -11.503 7.420 315 HH22 ARG 38 2HH2 ARG 38 -4.872 -10.543 8.821 316 H SER 39 H SER 39 -9.214 -5.777 2.562 317 HA SER 39 HA SER 39 -11.872 -5.614 1.977 318 HB2 SER 39 2HB SER 39 -9.556 -3.904 2.316 319 HB3 SER 39 1HB SER 39 -11.145 -3.205 2.323 320 HG SER 39 HG SER 39 -10.675 -3.634 4.422 321 H PHE 40 H PHE 40 -8.911 -4.582 0.267 322 HA PHE 40 HA PHE 40 -10.320 -3.487 -2.028 323 HB2 PHE 40 2HB PHE 40 -7.449 -3.798 -1.282 324 HB3 PHE 40 1HB PHE 40 -7.964 -3.124 -2.832 325 HD1 PHE 40 HD2 PHE 40 -9.930 -1.438 -2.563 326 HD2 PHE 40 HD1 PHE 40 -7.066 -2.184 0.471 327 HE1 PHE 40 HE2 PHE 40 -10.463 0.760 -1.514 328 HE2 PHE 40 HE1 PHE 40 -7.573 -0.031 1.501 329 HZ PHE 40 HZ PHE 40 -9.268 1.449 0.521 330 H LEU 41 H LEU 41 -8.301 -6.375 -1.495 331 HA LEU 41 HA LEU 41 -8.468 -7.134 -4.233 332 HB2 LEU 41 2HB LEU 41 -7.202 -8.258 -1.779 333 HB3 LEU 41 1HB LEU 41 -7.275 -9.168 -3.266 334 HG LEU 41 HG LEU 41 -5.939 -7.495 -4.356 335 HD11 LEU 41 1HD1 LEU 41 -5.790 -6.205 -1.685 336 HD12 LEU 41 2HD1 LEU 41 -6.654 -5.633 -3.117 337 HD13 LEU 41 3HD1 LEU 41 -4.873 -5.717 -3.140 338 HD21 LEU 41 3HD2 LEU 41 -3.849 -7.929 -3.055 339 HD22 LEU 41 1HD2 LEU 41 -4.818 -9.359 -3.410 340 HD23 LEU 41 2HD2 LEU 41 -4.861 -8.643 -1.803 341 HA PRO 42 HA PRO 42 -11.674 -10.146 -3.234 342 HB2 PRO 42 2HB PRO 42 -12.263 -10.572 -5.928 343 HB3 PRO 42 1HB PRO 42 -13.089 -9.423 -4.876 344 HG2 PRO 42 2HG PRO 42 -11.411 -8.836 -7.115 345 HG3 PRO 42 1HG PRO 42 -12.160 -7.686 -6.001 346 HD2 PRO 42 2HD PRO 42 -9.375 -8.697 -6.070 347 HD3 PRO 42 1HD PRO 42 -10.017 -7.202 -5.366 348 H THR 43 H THR 43 -8.825 -10.324 -5.158 349 HA THR 43 HA THR 43 -8.918 -13.244 -5.419 350 HB THR 43 HB THR 43 -7.189 -12.757 -7.209 351 HG1 THR 43 HG1 THR 43 -7.201 -10.592 -7.935 352 HG21 THR 43 3HG2 THR 43 -9.935 -11.672 -7.281 353 HG22 THR 43 1HG2 THR 43 -9.471 -13.312 -7.687 354 HG23 THR 43 2HG2 THR 43 -8.995 -11.968 -8.772 355 H MET 44 H MET 44 -8.132 -11.767 -3.084 356 HA MET 44 HA MET 44 -5.720 -10.913 -2.538 357 HB2 MET 44 2HB MET 44 -6.823 -12.866 -0.583 358 HB3 MET 44 1HB MET 44 -5.916 -11.405 -0.440 359 HG2 MET 44 2HG MET 44 -7.950 -10.820 0.316 360 HG3 MET 44 1HG MET 44 -7.810 -10.112 -1.270 361 HE1 MET 44 3HE MET 44 -10.317 -13.929 -0.548 362 HE2 MET 44 1HE MET 44 -9.382 -13.119 0.706 363 HE3 MET 44 2HE MET 44 -8.560 -13.947 -0.624 364 H ASP 45 H ASP 45 -3.853 -11.768 -3.306 365 HA ASP 45 HA ASP 45 -3.198 -14.467 -2.382 366 HB2 ASP 45 2HB ASP 45 -1.409 -14.476 -4.090 367 HB3 ASP 45 1HB ASP 45 -2.969 -14.182 -4.837 368 H LEU 46 H LEU 46 -3.290 -13.028 -0.457 369 HA LEU 46 HA LEU 46 -0.910 -11.396 -0.073 370 HB2 LEU 46 2HB LEU 46 -2.083 -10.443 1.867 371 HB3 LEU 46 1HB LEU 46 -3.039 -10.360 0.403 372 HG LEU 46 HG LEU 46 -4.297 -12.398 1.282 373 HD11 LEU 46 1HD1 LEU 46 -2.993 -11.534 3.847 374 HD12 LEU 46 2HD1 LEU 46 -2.811 -13.096 3.041 375 HD13 LEU 46 3HD1 LEU 46 -4.373 -12.620 3.714 376 HD21 LEU 46 3HD2 LEU 46 -5.220 -10.149 1.170 377 HD22 LEU 46 1HD2 LEU 46 -4.521 -9.784 2.748 378 HD23 LEU 46 2HD2 LEU 46 -5.777 -11.017 2.602 379 H ASP 47 H ASP 47 -2.122 -14.424 0.628 380 HA ASP 47 HA ASP 47 -0.593 -14.858 3.034 381 HB2 ASP 47 2HB ASP 47 -2.812 -15.930 2.713 382 HB3 ASP 47 1HB ASP 47 -2.169 -16.818 1.341 383 H CYS 48 H CYS 48 0.125 -14.625 -0.066 384 HA CYS 48 HA CYS 48 1.889 -16.859 -0.442 385 HB2 CYS 48 2HB CYS 48 1.482 -14.353 -2.073 386 HB3 CYS 48 1HB CYS 48 2.351 -15.797 -2.597 387 HG CYS 48 HG CYS 48 -0.048 -17.382 -2.158 388 H SER 49 H SER 49 2.578 -15.373 1.852 389 HA SER 49 HA SER 49 4.878 -13.773 1.134 390 HB2 SER 49 2HB SER 49 3.356 -13.015 2.977 391 HB3 SER 49 1HB SER 49 3.777 -14.463 3.880 392 HG SER 49 HG SER 49 6.040 -13.132 3.152 393 H TYR 50 H TYR 50 5.801 -15.569 0.097 394 HA TYR 50 HA TYR 50 6.817 -17.830 1.455 395 HB2 TYR 50 2HB TYR 50 8.563 -17.606 -0.588 396 HB3 TYR 50 1HB TYR 50 6.955 -18.294 -0.782 397 HD1 TYR 50 HD1 TYR 50 8.751 -14.996 -1.006 398 HD2 TYR 50 HD2 TYR 50 5.553 -17.412 -2.410 399 HE1 TYR 50 HE1 TYR 50 8.201 -13.286 -2.681 400 HE2 TYR 50 HE2 TYR 50 4.997 -15.714 -4.075 401 HH TYR 50 HH TYR 50 7.037 -13.058 -4.798 402 H GLU 51 H GLU 51 8.031 -14.799 0.862 403 HA GLU 51 HA GLU 51 10.296 -15.199 2.595 404 HB2 GLU 51 2HB GLU 51 9.646 -13.305 0.355 405 HB3 GLU 51 1HB GLU 51 11.022 -13.147 1.409 406 HG2 GLU 51 2HG GLU 51 11.956 -15.217 0.629 407 HG3 GLU 51 1HG GLU 51 10.510 -15.589 -0.296 408 HA PRO 52 HA PRO 52 8.112 -12.334 5.323 409 HB2 PRO 52 2HB PRO 52 10.621 -10.832 5.714 410 HB3 PRO 52 1HB PRO 52 9.674 -11.749 6.890 411 HG2 PRO 52 2HG PRO 52 12.016 -12.589 6.058 412 HG3 PRO 52 1HG PRO 52 10.685 -13.733 6.330 413 HD2 PRO 52 2HD PRO 52 11.680 -12.579 3.742 414 HD3 PRO 52 1HD PRO 52 11.266 -14.265 4.133 415 H SER 53 H SER 53 9.314 -9.681 5.725 416 HA SER 53 HA SER 53 7.631 -8.279 3.904 417 HB2 SER 53 2HB SER 53 9.520 -7.214 6.001 418 HB3 SER 53 1HB SER 53 8.176 -6.351 5.247 419 HG SER 53 HG SER 53 7.413 -7.092 7.133 420 H ASN 54 H ASN 54 9.722 -9.525 2.502 421 HA ASN 54 HA ASN 54 11.832 -7.903 1.709 422 HB2 ASN 54 2HB ASN 54 10.216 -10.080 0.502 423 HB3 ASN 54 1HB ASN 54 11.433 -9.272 -0.449 424 HD21 ASN 54 1HD2 ASN 54 12.627 -11.172 -0.650 425 HD22 ASN 54 2HD2 ASN 54 13.484 -11.880 0.654 426 HA PRO 55 HA PRO 55 9.868 -4.551 -0.338 427 HB2 PRO 55 2HB PRO 55 11.559 -4.326 -2.546 428 HB3 PRO 55 1HB PRO 55 11.807 -3.567 -0.973 429 HG2 PRO 55 2HG PRO 55 12.997 -6.056 -2.087 430 HG3 PRO 55 1HG PRO 55 13.716 -4.858 -1.002 431 HD2 PRO 55 2HD PRO 55 12.849 -7.256 -0.120 432 HD3 PRO 55 1HD PRO 55 12.731 -5.800 0.883 433 H GLU 56 H GLU 56 10.743 -7.246 -2.522 434 HA GLU 56 HA GLU 56 8.822 -6.441 -4.471 435 HB2 GLU 56 2HB GLU 56 10.364 -9.012 -4.187 436 HB3 GLU 56 1HB GLU 56 9.332 -8.614 -5.552 437 HG2 GLU 56 2HG GLU 56 10.734 -6.710 -6.090 438 HG3 GLU 56 1HG GLU 56 11.763 -7.057 -4.705 439 H VAL 57 H VAL 57 8.853 -8.553 -1.733 440 HA VAL 57 HA VAL 57 6.486 -9.976 -2.321 441 HB VAL 57 HB VAL 57 7.682 -9.312 0.399 442 HG11 VAL 57 1HG1 VAL 57 5.331 -9.915 0.623 443 HG12 VAL 57 2HG1 VAL 57 6.376 -11.189 1.262 444 HG13 VAL 57 3HG1 VAL 57 5.609 -11.388 -0.315 445 HG21 VAL 57 3HG2 VAL 57 8.608 -11.457 0.396 446 HG22 VAL 57 1HG2 VAL 57 9.137 -10.642 -1.074 447 HG23 VAL 57 2HG2 VAL 57 7.859 -11.876 -1.154 448 H ILE 58 H ILE 58 7.238 -7.121 -0.481 449 HA ILE 58 HA ILE 58 4.628 -6.375 0.226 450 HB ILE 58 HB ILE 58 7.128 -4.714 -0.144 451 HG12 ILE 58 2HG1 ILE 58 7.353 -6.394 1.601 452 HG13 ILE 58 1HG1 ILE 58 7.256 -4.783 2.297 453 HG21 ILE 58 1HG2 ILE 58 4.536 -3.902 1.164 454 HG22 ILE 58 2HG2 ILE 58 5.233 -3.230 -0.314 455 HG23 ILE 58 3HG2 ILE 58 6.044 -2.987 1.234 456 HD11 ILE 58 3HD1 ILE 58 6.001 -6.367 3.623 457 HD12 ILE 58 1HD1 ILE 58 5.021 -6.806 2.220 458 HD13 ILE 58 2HD1 ILE 58 4.922 -5.179 2.893 459 H HIS 59 H HIS 59 6.724 -5.382 -2.468 460 HA HIS 59 HA HIS 59 4.983 -3.621 -3.730 461 HB2 HIS 59 2HB HIS 59 7.395 -3.873 -4.314 462 HB3 HIS 59 1HB HIS 59 7.031 -5.408 -5.078 463 HD1 HIS 59 HD1 HIS 59 7.979 -4.452 -7.306 464 HD2 HIS 59 HD2 HIS 59 4.640 -2.447 -5.897 465 HE1 HIS 59 HE1 HIS 59 7.194 -3.006 -9.218 466 HE2 HIS 59 HE2 HIS 59 5.061 -1.956 -8.371 467 H ARG 60 H ARG 60 5.128 -7.135 -3.970 468 HA ARG 60 HA ARG 60 3.368 -7.595 -6.074 469 HB2 ARG 60 2HB ARG 60 4.694 -9.343 -5.055 470 HB3 ARG 60 1HB ARG 60 3.865 -9.125 -3.530 471 HG2 ARG 60 2HG ARG 60 1.813 -9.923 -4.471 472 HG3 ARG 60 1HG ARG 60 2.583 -10.086 -6.062 473 HD2 ARG 60 2HD ARG 60 4.119 -11.739 -5.136 474 HD3 ARG 60 1HD ARG 60 3.378 -11.557 -3.546 475 HE ARG 60 HE ARG 60 1.262 -12.270 -4.915 476 HH11 ARG 60 1HH1 ARG 60 4.542 -13.631 -5.149 477 HH12 ARG 60 2HH1 ARG 60 3.990 -15.137 -5.680 478 HH21 ARG 60 1HH2 ARG 60 0.563 -14.275 -5.587 479 HH22 ARG 60 2HH2 ARG 60 1.668 -15.565 -5.909 480 H GLN 61 H GLN 61 2.758 -7.093 -2.680 481 HA GLN 61 HA GLN 61 -0.052 -7.611 -2.769 482 HB2 GLN 61 2HB GLN 61 1.513 -6.108 -0.682 483 HB3 GLN 61 1HB GLN 61 -0.029 -6.939 -0.477 484 HG2 GLN 61 2HG GLN 61 1.043 -9.022 -1.062 485 HG3 GLN 61 1HG GLN 61 2.584 -8.229 -1.169 486 HE21 GLN 61 1HE2 GLN 61 3.547 -9.349 0.411 487 HE22 GLN 61 2HE2 GLN 61 3.154 -9.218 2.096 488 H LEU 62 H LEU 62 1.944 -4.842 -2.806 489 HA LEU 62 HA LEU 62 -0.217 -2.951 -2.822 490 HB2 LEU 62 2HB LEU 62 2.733 -2.608 -3.336 491 HB3 LEU 62 1HB LEU 62 1.626 -1.294 -3.642 492 HG LEU 62 HG LEU 62 2.737 -0.999 -1.486 493 HD11 LEU 62 1HD1 LEU 62 -0.155 -1.687 -1.107 494 HD12 LEU 62 2HD1 LEU 62 0.485 -0.144 -1.683 495 HD13 LEU 62 3HD1 LEU 62 0.825 -0.685 -0.042 496 HD21 LEU 62 3HD2 LEU 62 2.343 -2.480 0.399 497 HD22 LEU 62 1HD2 LEU 62 3.155 -3.335 -0.914 498 HD23 LEU 62 2HD2 LEU 62 1.430 -3.572 -0.643 499 H ASN 63 H ASN 63 1.552 -4.658 -5.288 500 HA ASN 63 HA ASN 63 0.813 -3.332 -7.605 501 HB2 ASN 63 2HB ASN 63 2.487 -5.177 -7.299 502 HB3 ASN 63 1HB ASN 63 1.107 -6.217 -6.994 503 HD21 ASN 63 1HD2 ASN 63 0.073 -7.158 -8.543 504 HD22 ASN 63 2HD2 ASN 63 0.349 -6.876 -10.212 505 H ARG 64 H ARG 64 -0.776 -5.626 -5.536 506 HA ARG 64 HA ARG 64 -2.886 -6.188 -7.227 507 HB2 ARG 64 2HB ARG 64 -2.448 -6.487 -4.312 508 HB3 ARG 64 1HB ARG 64 -4.040 -6.792 -4.989 509 HG2 ARG 64 2HG ARG 64 -1.533 -8.137 -5.935 510 HG3 ARG 64 1HG ARG 64 -2.633 -8.827 -4.733 511 HD2 ARG 64 2HD ARG 64 -4.441 -8.532 -6.421 512 HD3 ARG 64 1HD ARG 64 -3.201 -8.141 -7.610 513 HE ARG 64 HE ARG 64 -2.779 -10.587 -6.187 514 HH11 ARG 64 1HH1 ARG 64 -4.355 -9.120 -9.004 515 HH12 ARG 64 2HH1 ARG 64 -4.374 -10.546 -9.919 516 HH21 ARG 64 1HH2 ARG 64 -2.881 -12.550 -7.401 517 HH22 ARG 64 2HH2 ARG 64 -3.522 -12.552 -8.993 518 H LEU 65 H LEU 65 -2.367 -3.645 -4.877 519 HA LEU 65 HA LEU 65 -5.032 -2.597 -4.937 520 HB2 LEU 65 2HB LEU 65 -2.447 -1.231 -4.254 521 HB3 LEU 65 1HB LEU 65 -4.052 -0.615 -3.913 522 HG LEU 65 HG LEU 65 -2.830 -3.091 -2.707 523 HD11 LEU 65 1HD1 LEU 65 -3.502 -0.416 -1.581 524 HD12 LEU 65 2HD1 LEU 65 -1.875 -0.951 -1.994 525 HD13 LEU 65 3HD1 LEU 65 -2.773 -1.760 -0.696 526 HD21 LEU 65 3HD2 LEU 65 -5.247 -3.294 -2.936 527 HD22 LEU 65 1HD2 LEU 65 -5.450 -1.703 -2.198 528 HD23 LEU 65 2HD2 LEU 65 -4.794 -3.036 -1.250 529 H PHE 66 H PHE 66 -2.038 -1.991 -6.580 530 HA PHE 66 HA PHE 66 -2.625 0.118 -8.258 531 HB2 PHE 66 2HB PHE 66 -0.414 -0.970 -8.057 532 HB3 PHE 66 1HB PHE 66 -1.046 -2.420 -8.794 533 HD1 PHE 66 HD2 PHE 66 -1.635 -2.364 -11.260 534 HD2 PHE 66 HD1 PHE 66 0.464 0.790 -9.322 535 HE1 PHE 66 HE2 PHE 66 -0.825 -1.572 -13.439 536 HE2 PHE 66 HE1 PHE 66 1.281 1.581 -11.499 537 HZ PHE 66 HZ PHE 66 0.638 0.402 -13.563 538 H ALA 67 H ALA 67 -3.315 -3.297 -8.588 539 HA ALA 67 HA ALA 67 -4.633 -3.105 -11.093 540 HB1 ALA 67 3HB ALA 67 -3.443 -5.111 -10.377 541 HB2 ALA 67 1HB ALA 67 -5.118 -5.450 -10.817 542 HB3 ALA 67 2HB ALA 67 -4.649 -5.364 -9.116 543 H GLN 68 H GLN 68 -5.838 -2.510 -7.809 544 HA GLN 68 HA GLN 68 -8.505 -3.162 -8.518 545 HB2 GLN 68 2HB GLN 68 -7.299 -1.701 -6.202 546 HB3 GLN 68 1HB GLN 68 -9.006 -1.981 -6.399 547 HG2 GLN 68 2HG GLN 68 -6.894 -3.817 -5.356 548 HG3 GLN 68 1HG GLN 68 -8.509 -3.556 -4.969 549 HE21 GLN 68 1HE2 GLN 68 -6.921 -5.994 -5.868 550 HE22 GLN 68 2HE2 GLN 68 -8.045 -6.826 -6.887 551 H GLY 69 H GLY 69 -6.499 -0.271 -8.119 552 HA2 GLY 69 2HA GLY 69 -8.033 1.434 -9.881 553 HA3 GLY 69 1HA GLY 69 -8.583 1.509 -8.257 554 H MET 70 H MET 70 -6.921 3.187 -10.221 555 HA MET 70 HA MET 70 -4.739 3.949 -8.535 556 HB2 MET 70 2HB MET 70 -4.675 6.048 -9.867 557 HB3 MET 70 1HB MET 70 -4.715 4.631 -10.903 558 HG2 MET 70 2HG MET 70 -7.053 5.007 -11.381 559 HG3 MET 70 1HG MET 70 -7.101 6.351 -10.243 560 HE1 MET 70 3HE MET 70 -7.444 7.993 -13.834 561 HE2 MET 70 1HE MET 70 -8.242 7.731 -12.282 562 HE3 MET 70 2HE MET 70 -8.011 6.381 -13.398 563 H ALA 71 H ALA 71 -8.082 4.500 -8.747 564 HA ALA 71 HA ALA 71 -8.244 6.661 -6.859 565 HB1 ALA 71 3HB ALA 71 -9.986 6.332 -8.517 566 HB2 ALA 71 1HB ALA 71 -10.687 6.074 -6.909 567 HB3 ALA 71 2HB ALA 71 -10.243 4.691 -7.942 568 H THR 72 H THR 72 -8.446 3.149 -6.853 569 HA THR 72 HA THR 72 -9.126 2.757 -4.182 570 HB THR 72 HB THR 72 -7.541 1.039 -6.129 571 HG1 THR 72 HG1 THR 72 -10.272 1.045 -5.397 572 HG21 THR 72 3HG2 THR 72 -8.267 -0.890 -4.607 573 HG22 THR 72 1HG2 THR 72 -8.845 0.279 -3.470 574 HG23 THR 72 2HG2 THR 72 -7.129 0.180 -3.814 575 H TRP 73 H TRP 73 -6.046 3.302 -5.819 576 HA TRP 73 HA TRP 73 -4.336 2.900 -3.643 577 HB2 TRP 73 2HB TRP 73 -3.663 3.127 -6.015 578 HB3 TRP 73 1HB TRP 73 -3.997 4.855 -5.928 579 HD1 TRP 73 HD1 TRP 73 -2.023 6.384 -5.071 580 HE1 TRP 73 HE1 TRP 73 0.244 5.943 -4.035 581 HE3 TRP 73 HE3 TRP 73 -2.396 1.310 -4.471 582 HZ2 TRP 73 HZ2 TRP 73 1.742 3.723 -3.095 583 HZ3 TRP 73 HZ3 TRP 73 -0.494 0.113 -3.511 584 HH2 TRP 73 HH2 TRP 73 1.532 1.289 -2.833 585 H LYS 74 H LYS 74 -5.754 5.913 -4.931 586 HA LYS 74 HA LYS 74 -4.957 7.652 -2.957 587 HB2 LYS 74 2HB LYS 74 -7.611 7.750 -4.430 588 HB3 LYS 74 1HB LYS 74 -6.769 9.110 -3.688 589 HG2 LYS 74 2HG LYS 74 -4.892 8.620 -5.303 590 HG3 LYS 74 1HG LYS 74 -6.001 7.524 -6.070 591 HD2 LYS 74 2HD LYS 74 -7.540 9.284 -6.568 592 HD3 LYS 74 1HD LYS 74 -6.578 10.420 -5.604 593 HE2 LYS 74 2HE LYS 74 -4.698 10.083 -7.069 594 HE3 LYS 74 1HE LYS 74 -5.652 8.971 -8.050 595 HZ1 LYS 74 3HZ LYS 74 -5.425 11.300 -8.894 596 HZ2 LYS 74 1HZ LYS 74 -6.415 11.834 -7.655 597 HZ3 LYS 74 2HZ LYS 74 -7.011 10.760 -8.824 598 H SER 75 H SER 75 -7.827 5.515 -2.923 599 HA SER 75 HA SER 75 -8.906 6.422 -0.585 600 HB2 SER 75 2HB SER 75 -8.935 3.794 -2.027 601 HB3 SER 75 1HB SER 75 -10.017 4.239 -0.720 602 HG SER 75 HG SER 75 -9.788 5.464 -3.275 603 H PHE 76 H PHE 76 -6.687 3.753 -1.341 604 HA PHE 76 HA PHE 76 -6.472 2.594 1.170 605 HB2 PHE 76 2HB PHE 76 -5.756 1.468 -0.849 606 HB3 PHE 76 1HB PHE 76 -4.513 2.679 -1.123 607 HD1 PHE 76 HD2 PHE 76 -5.556 -0.090 1.076 608 HD2 PHE 76 HD1 PHE 76 -2.396 2.505 -0.093 609 HE1 PHE 76 HE2 PHE 76 -3.956 -1.481 2.317 610 HE2 PHE 76 HE1 PHE 76 -0.789 1.113 1.144 611 HZ PHE 76 HZ PHE 76 -1.581 -0.896 2.343 612 H ILE 77 H ILE 77 -4.370 4.976 -0.406 613 HA ILE 77 HA ILE 77 -2.583 5.178 1.762 614 HB ILE 77 HB ILE 77 -3.138 7.197 -0.416 615 HG12 ILE 77 2HG1 ILE 77 -2.377 5.035 -1.305 616 HG13 ILE 77 1HG1 ILE 77 -1.154 6.273 -1.531 617 HG21 ILE 77 1HG2 ILE 77 -0.785 6.982 1.453 618 HG22 ILE 77 2HG2 ILE 77 -2.046 8.215 1.509 619 HG23 ILE 77 3HG2 ILE 77 -0.950 8.141 0.127 620 HD11 ILE 77 3HD1 ILE 77 -1.139 4.137 0.602 621 HD12 ILE 77 1HD1 ILE 77 0.087 5.386 0.385 622 HD13 ILE 77 2HD1 ILE 77 -0.157 4.164 -0.862 623 H ASN 78 H ASN 78 -5.501 6.947 0.929 624 HA ASN 78 HA ASN 78 -5.386 8.965 2.874 625 HB2 ASN 78 2HB ASN 78 -7.019 8.955 1.043 626 HB3 ASN 78 1HB ASN 78 -7.800 7.542 1.739 627 HD21 ASN 78 1HD2 ASN 78 -9.749 8.739 1.826 628 HD22 ASN 78 2HD2 ASN 78 -9.964 9.955 3.035 629 H ASP 79 H ASP 79 -6.750 5.686 3.062 630 HA ASP 79 HA ASP 79 -7.408 5.982 5.817 631 HB2 ASP 79 2HB ASP 79 -7.140 3.500 4.132 632 HB3 ASP 79 1HB ASP 79 -7.614 3.515 5.826 633 H LEU 80 H LEU 80 -4.691 4.650 4.089 634 HA LEU 80 HA LEU 80 -3.210 3.341 6.010 635 HB2 LEU 80 2HB LEU 80 -2.718 3.522 3.592 636 HB3 LEU 80 1HB LEU 80 -2.421 5.182 3.826 637 HG LEU 80 HG LEU 80 -0.403 3.747 3.344 638 HD11 LEU 80 1HD1 LEU 80 -0.263 5.396 5.856 639 HD12 LEU 80 2HD1 LEU 80 -0.084 5.989 4.205 640 HD13 LEU 80 3HD1 LEU 80 1.110 4.880 4.878 641 HD21 LEU 80 3HD2 LEU 80 0.565 2.598 5.274 642 HD22 LEU 80 1HD2 LEU 80 -0.970 1.926 4.676 643 HD23 LEU 80 2HD2 LEU 80 -0.968 2.944 6.113 644 H CYS 81 H CYS 81 -2.995 6.726 5.174 645 HA CYS 81 HA CYS 81 -1.176 7.526 7.183 646 HB2 CYS 81 2HB CYS 81 -3.228 9.216 5.755 647 HB3 CYS 81 1HB CYS 81 -1.783 9.804 6.582 648 HG CYS 81 HG CYS 81 -2.057 8.141 3.661 649 H PHE 82 H PHE 82 -4.640 7.247 7.166 650 HA PHE 82 HA PHE 82 -5.131 8.620 9.626 651 HB2 PHE 82 2HB PHE 82 -6.854 8.471 7.873 652 HB3 PHE 82 1HB PHE 82 -6.828 6.732 8.003 653 HD1 PHE 82 HD2 PHE 82 -7.322 9.666 10.255 654 HD2 PHE 82 HD1 PHE 82 -8.508 5.726 9.178 655 HE1 PHE 82 HE2 PHE 82 -9.079 9.727 11.975 656 HE2 PHE 82 HE1 PHE 82 -10.267 5.781 10.893 657 HZ PHE 82 HZ PHE 82 -10.553 7.783 12.296 658 H GLU 83 H GLU 83 -5.147 5.247 8.616 659 HA GLU 83 HA GLU 83 -5.840 4.200 11.133 660 HB2 GLU 83 2HB GLU 83 -4.623 2.731 8.794 661 HB3 GLU 83 1HB GLU 83 -5.444 1.998 10.165 662 HG2 GLU 83 2HG GLU 83 -7.478 3.395 9.463 663 HG3 GLU 83 1HG GLU 83 -6.604 3.688 7.983 664 H LEU 84 H LEU 84 -2.676 4.407 9.507 665 HA LEU 84 HA LEU 84 -1.391 3.191 11.795 666 HB2 LEU 84 2HB LEU 84 -0.171 4.712 9.499 667 HB3 LEU 84 1HB LEU 84 0.698 3.733 10.659 668 HG LEU 84 HG LEU 84 -1.243 2.741 8.580 669 HD11 LEU 84 1HD1 LEU 84 0.721 1.745 7.591 670 HD12 LEU 84 2HD1 LEU 84 1.725 2.405 8.871 671 HD13 LEU 84 3HD1 LEU 84 0.936 3.490 7.730 672 HD21 LEU 84 3HD2 LEU 84 -0.575 0.499 9.293 673 HD22 LEU 84 1HD2 LEU 84 -1.355 1.367 10.615 674 HD23 LEU 84 2HD2 LEU 84 0.402 1.191 10.584 675 H ASP 85 H ASP 85 -2.616 6.123 11.020 676 HA ASP 85 HA ASP 85 -2.597 8.194 11.794 677 HB2 ASP 85 2HB ASP 85 -3.357 7.073 13.833 678 HB3 ASP 85 1HB ASP 85 -1.689 6.854 14.345 679 H VAL 86 H VAL 86 -0.956 8.581 10.288 680 HA VAL 86 HA VAL 86 1.511 9.462 11.609 681 HB VAL 86 HB VAL 86 1.356 8.521 8.723 682 HG11 VAL 86 1HG1 VAL 86 3.725 9.131 10.479 683 HG12 VAL 86 2HG1 VAL 86 3.114 10.135 9.170 684 HG13 VAL 86 3HG1 VAL 86 3.799 8.546 8.816 685 HG21 VAL 86 3HG2 VAL 86 2.568 6.499 9.403 686 HG22 VAL 86 1HG2 VAL 86 0.994 6.596 10.196 687 HG23 VAL 86 2HG2 VAL 86 2.460 7.003 11.089 688 HA PRO 87 HA PRO 87 -0.273 13.154 9.766 689 HB2 PRO 87 2HB PRO 87 0.986 14.942 11.359 690 HB3 PRO 87 1HB PRO 87 -0.445 14.052 11.893 691 HG2 PRO 87 2HG PRO 87 2.434 13.558 12.503 692 HG3 PRO 87 1HG PRO 87 1.027 13.425 13.572 693 HD2 PRO 87 2HD PRO 87 2.257 11.286 12.360 694 HD3 PRO 87 1HD PRO 87 0.561 11.292 12.873 695 H LEU 88 H LEU 88 1.128 12.298 8.043 696 HA LEU 88 HA LEU 88 3.684 13.638 7.855 697 HB2 LEU 88 2HB LEU 88 3.832 12.207 5.656 698 HB3 LEU 88 1HB LEU 88 4.215 11.555 7.228 699 HG LEU 88 HG LEU 88 2.056 10.381 7.298 700 HD11 LEU 88 1HD1 LEU 88 0.595 10.258 5.454 701 HD12 LEU 88 2HD1 LEU 88 1.562 11.411 4.528 702 HD13 LEU 88 3HD1 LEU 88 0.688 11.946 5.981 703 HD21 LEU 88 3HD2 LEU 88 3.509 9.952 4.723 704 HD22 LEU 88 1HD2 LEU 88 2.471 8.791 5.548 705 HD23 LEU 88 2HD2 LEU 88 3.983 9.326 6.297 706 H ASP 89 H ASP 89 0.541 13.953 6.515 707 HA ASP 89 HA ASP 89 -0.368 15.389 5.000 708 HB2 ASP 89 2HB ASP 89 2.165 16.943 5.594 709 HB3 ASP 89 1HB ASP 89 0.886 17.565 4.557 710 H MET 90 H MET 90 1.527 13.299 4.235 711 HA MET 90 HA MET 90 2.245 14.194 1.530 712 HB2 MET 90 2HB MET 90 3.405 11.979 3.225 713 HB3 MET 90 1HB MET 90 3.812 12.247 1.540 714 HG2 MET 90 2HG MET 90 4.775 14.383 2.070 715 HG3 MET 90 1HG MET 90 4.256 14.233 3.750 716 HE1 MET 90 3HE MET 90 8.170 13.878 3.893 717 HE2 MET 90 1HE MET 90 6.770 14.790 4.457 718 HE3 MET 90 2HE MET 90 7.246 14.866 2.760 719 H GLU 91 H GLU 91 -0.300 13.079 2.694 720 HA GLU 91 HA GLU 91 -0.535 10.386 1.910 721 HB2 GLU 91 2HB GLU 91 -2.973 10.640 2.251 722 HB3 GLU 91 1HB GLU 91 -2.066 11.292 3.601 723 HG2 GLU 91 2HG GLU 91 -3.482 12.858 1.429 724 HG3 GLU 91 1HG GLU 91 -4.012 12.665 3.092 725 H ILE 92 H ILE 92 -1.745 13.314 0.297 726 HA ILE 92 HA ILE 92 -2.562 11.944 -2.119 727 HB ILE 92 HB ILE 92 -1.966 14.851 -1.441 728 HG12 ILE 92 2HG1 ILE 92 -3.912 14.007 -0.257 729 HG13 ILE 92 1HG1 ILE 92 -4.388 15.184 -1.470 730 HG21 ILE 92 1HG2 ILE 92 -3.207 13.813 -3.945 731 HG22 ILE 92 2HG2 ILE 92 -1.595 14.514 -3.739 732 HG23 ILE 92 3HG2 ILE 92 -3.025 15.516 -3.482 733 HD11 ILE 92 3HD1 ILE 92 -5.072 13.352 -2.946 734 HD12 ILE 92 1HD1 ILE 92 -5.943 13.337 -1.408 735 HD13 ILE 92 2HD1 ILE 92 -4.625 12.200 -1.687 736 HA PRO 93 HA PRO 93 1.971 13.347 -3.719 737 HB2 PRO 93 2HB PRO 93 3.028 12.715 -0.973 738 HB3 PRO 93 1HB PRO 93 3.779 13.692 -2.241 739 HG2 PRO 93 2HG PRO 93 2.547 14.937 -0.293 740 HG3 PRO 93 1HG PRO 93 2.243 15.449 -1.957 741 HD2 PRO 93 2HD PRO 93 0.465 13.886 -0.147 742 HD3 PRO 93 1HD PRO 93 0.057 15.079 -1.391 743 H LEU 94 H LEU 94 1.415 11.001 -1.075 744 HA LEU 94 HA LEU 94 2.658 8.746 -2.356 745 HB2 LEU 94 2HB LEU 94 0.860 9.168 -0.024 746 HB3 LEU 94 1HB LEU 94 0.946 7.564 -0.706 747 HG LEU 94 HG LEU 94 2.287 7.895 1.293 748 HD11 LEU 94 1HD1 LEU 94 4.343 6.830 0.446 749 HD12 LEU 94 2HD1 LEU 94 3.974 7.412 -1.167 750 HD13 LEU 94 3HD1 LEU 94 2.932 6.198 -0.413 751 HD21 LEU 94 3HD2 LEU 94 4.414 9.145 1.190 752 HD22 LEU 94 1HD2 LEU 94 2.997 10.186 1.022 753 HD23 LEU 94 2HD2 LEU 94 3.941 9.745 -0.400 754 H VAL 95 H VAL 95 -0.705 10.009 -2.372 755 HA VAL 95 HA VAL 95 -1.736 7.786 -3.661 756 HB VAL 95 HB VAL 95 -3.586 8.820 -3.816 757 HG11 VAL 95 1HG1 VAL 95 -2.679 10.079 -1.434 758 HG12 VAL 95 2HG1 VAL 95 -3.582 8.595 -1.747 759 HG13 VAL 95 3HG1 VAL 95 -4.340 10.152 -2.037 760 HG21 VAL 95 3HG2 VAL 95 -2.493 11.519 -4.262 761 HG22 VAL 95 1HG2 VAL 95 -4.228 11.195 -3.983 762 HG23 VAL 95 2HG2 VAL 95 -3.384 10.413 -5.326 763 H SER 96 H SER 96 -0.330 10.664 -4.668 764 HA SER 96 HA SER 96 -0.778 10.779 -7.429 765 HB2 SER 96 2HB SER 96 0.273 12.551 -5.985 766 HB3 SER 96 1HB SER 96 1.763 11.628 -6.043 767 HG SER 96 HG SER 96 0.857 13.359 -7.859 768 H ILE 97 H ILE 97 1.378 8.840 -5.583 769 HA ILE 97 HA ILE 97 3.218 7.942 -7.394 770 HB ILE 97 HB ILE 97 1.987 6.969 -4.937 771 HG12 ILE 97 2HG1 ILE 97 4.852 7.081 -5.874 772 HG13 ILE 97 1HG1 ILE 97 4.009 8.297 -4.926 773 HG21 ILE 97 1HG2 ILE 97 3.012 4.762 -4.933 774 HG22 ILE 97 2HG2 ILE 97 3.242 4.892 -6.697 775 HG23 ILE 97 3HG2 ILE 97 1.617 4.960 -5.987 776 HD11 ILE 97 3HD1 ILE 97 5.469 6.988 -3.524 777 HD12 ILE 97 1HD1 ILE 97 4.689 5.504 -4.076 778 HD13 ILE 97 2HD1 ILE 97 3.781 6.663 -3.106 779 H TRP 98 H TRP 98 -0.085 6.715 -6.898 780 HA TRP 98 HA TRP 98 0.211 5.617 -9.525 781 HB2 TRP 98 2HB TRP 98 0.344 3.683 -8.159 782 HB3 TRP 98 1HB TRP 98 -0.970 4.227 -7.132 783 HD1 TRP 98 HD1 TRP 98 -2.588 2.416 -7.386 784 HE1 TRP 98 HE1 TRP 98 -3.951 1.323 -9.333 785 HE3 TRP 98 HE3 TRP 98 -0.241 4.584 -11.330 786 HZ2 TRP 98 HZ2 TRP 98 -3.983 1.398 -12.130 787 HZ3 TRP 98 HZ3 TRP 98 -0.980 4.029 -13.612 788 HH2 TRP 98 HH2 TRP 98 -2.808 2.468 -14.000 789 H GLY 99 H GLY 99 -0.565 7.346 -10.310 790 HA2 GLY 99 2HA GLY 99 -3.449 7.741 -9.992 791 HA3 GLY 99 1HA GLY 99 -2.325 9.059 -10.321 792 HA PRO 100 HA PRO 100 -3.949 7.779 -14.423 793 HB2 PRO 100 2HB PRO 100 -2.993 10.537 -14.988 794 HB3 PRO 100 1HB PRO 100 -4.532 9.773 -15.413 795 HG2 PRO 100 2HG PRO 100 -4.472 11.544 -13.460 796 HG3 PRO 100 1HG PRO 100 -5.405 10.051 -13.268 797 HD2 PRO 100 2HD PRO 100 -2.682 10.712 -12.202 798 HD3 PRO 100 1HD PRO 100 -4.067 9.975 -11.361 799 H ARG 101 H ARG 101 -2.899 7.310 -16.353 800 HA ARG 101 HA ARG 101 -1.392 6.634 -17.675 801 HB2 ARG 101 2HB ARG 101 0.311 8.959 -16.772 802 HB3 ARG 101 1HB ARG 101 0.270 8.008 -18.271 803 HG2 ARG 101 2HG ARG 101 -2.064 9.684 -17.407 804 HG3 ARG 101 1HG ARG 101 -0.788 10.306 -18.445 805 HD2 ARG 101 2HD ARG 101 -2.503 7.894 -19.050 806 HD3 ARG 101 1HD ARG 101 -2.761 9.510 -19.701 807 HE ARG 101 HE ARG 101 -0.129 8.605 -20.193 808 HH11 ARG 101 1HH1 ARG 101 -3.453 8.236 -21.368 809 HH12 ARG 101 2HH1 ARG 101 -2.997 7.810 -22.947 810 HH21 ARG 101 1HH2 ARG 101 0.483 7.999 -22.370 811 HH22 ARG 101 2HH2 ARG 101 -0.711 7.691 -23.535 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 -3.484 19.517 4.391 2 H2 GLY 1 2H GLY 1 -4.331 20.454 5.473 3 H3 GLY 1 3H GLY 1 -2.651 20.316 5.638 4 HA2 GLY 1 1HA GLY 1 -3.109 22.439 4.721 5 HA3 GLY 1 2HA GLY 1 -2.455 21.424 3.439 6 HA PRO 2 HA PRO 2 -7.009 22.769 2.735 7 HB2 PRO 2 2HB PRO 2 -6.901 25.350 1.908 8 HB3 PRO 2 1HB PRO 2 -7.147 24.893 3.598 9 HG2 PRO 2 2HG PRO 2 -4.665 25.819 2.225 10 HG3 PRO 2 1HG PRO 2 -5.251 26.189 3.855 11 HD2 PRO 2 2HD PRO 2 -3.296 24.342 3.306 12 HD3 PRO 2 1HD PRO 2 -4.336 24.287 4.740 13 H LEU 3 H LEU 3 -6.839 21.412 1.039 14 HA LEU 3 HA LEU 3 -5.779 22.463 -1.484 15 HB2 LEU 3 2HB LEU 3 -6.619 19.665 -0.727 16 HB3 LEU 3 1HB LEU 3 -5.989 20.127 -2.291 17 HG LEU 3 HG LEU 3 -4.467 20.164 0.321 18 HD11 LEU 3 1HD1 LEU 3 -4.268 18.356 -2.081 19 HD12 LEU 3 2HD1 LEU 3 -4.883 17.916 -0.486 20 HD13 LEU 3 3HD1 LEU 3 -3.185 18.341 -0.690 21 HD21 LEU 3 3HD2 LEU 3 -2.508 20.650 -1.070 22 HD22 LEU 3 1HD2 LEU 3 -3.710 21.936 -1.178 23 HD23 LEU 3 2HD2 LEU 3 -3.545 20.767 -2.488 24 H GLY 4 H GLY 4 -7.119 22.860 -3.167 25 HA2 GLY 4 2HA GLY 4 -9.975 22.753 -2.613 26 HA3 GLY 4 1HA GLY 4 -9.199 23.627 -3.931 27 H SER 5 H SER 5 -7.609 21.006 -4.307 28 HA SER 5 HA SER 5 -9.702 19.436 -5.567 29 HB2 SER 5 2HB SER 5 -7.158 20.340 -6.928 30 HB3 SER 5 1HB SER 5 -8.370 19.259 -7.615 31 HG SER 5 HG SER 5 -9.612 21.422 -6.757 32 H MET 6 H MET 6 -8.958 17.289 -6.093 33 HA MET 6 HA MET 6 -7.033 16.213 -4.183 34 HB2 MET 6 2HB MET 6 -9.465 15.397 -4.790 35 HB3 MET 6 1HB MET 6 -8.670 14.669 -6.173 36 HG2 MET 6 2HG MET 6 -8.853 12.975 -4.519 37 HG3 MET 6 1HG MET 6 -7.173 13.491 -4.547 38 HE1 MET 6 3HE MET 6 -8.115 12.612 -0.764 39 HE2 MET 6 1HE MET 6 -7.233 12.047 -2.182 40 HE3 MET 6 2HE MET 6 -8.992 11.952 -2.143 41 H ASP 7 H ASP 7 -7.303 17.298 -7.303 42 HA ASP 7 HA ASP 7 -5.834 15.421 -8.878 43 HB2 ASP 7 2HB ASP 7 -6.721 18.238 -9.407 44 HB3 ASP 7 1HB ASP 7 -5.805 17.276 -10.558 45 H ALA 8 H ALA 8 -4.307 16.684 -6.596 46 HA ALA 8 HA ALA 8 -2.235 18.209 -7.960 47 HB1 ALA 8 3HB ALA 8 -2.714 18.652 -5.595 48 HB2 ALA 8 1HB ALA 8 -1.037 18.155 -5.816 49 HB3 ALA 8 2HB ALA 8 -2.220 17.009 -5.184 50 H GLU 9 H GLU 9 -3.032 15.105 -7.432 51 HA GLU 9 HA GLU 9 -0.601 13.704 -7.529 52 HB2 GLU 9 2HB GLU 9 -2.195 11.813 -8.310 53 HB3 GLU 9 1HB GLU 9 -2.306 12.434 -6.670 54 HG2 GLU 9 2HG GLU 9 -4.560 12.374 -7.266 55 HG3 GLU 9 1HG GLU 9 -4.119 14.005 -7.735 56 H SER 10 H SER 10 -2.636 14.912 -10.033 57 HA SER 10 HA SER 10 -1.613 13.626 -12.292 58 HB2 SER 10 2HB SER 10 -2.581 16.448 -11.936 59 HB3 SER 10 1HB SER 10 -2.441 15.635 -13.495 60 HG SER 10 HG SER 10 -4.000 14.479 -11.415 61 H ILE 11 H ILE 11 -0.368 16.145 -10.295 62 HA ILE 11 HA ILE 11 1.491 17.216 -12.172 63 HB ILE 11 HB ILE 11 0.743 17.814 -9.311 64 HG12 ILE 11 2HG1 ILE 11 -0.393 19.668 -10.015 65 HG13 ILE 11 1HG1 ILE 11 0.273 19.717 -11.674 66 HG21 ILE 11 1HG2 ILE 11 2.729 19.310 -11.003 67 HG22 ILE 11 2HG2 ILE 11 3.066 18.389 -9.540 68 HG23 ILE 11 3HG2 ILE 11 2.097 19.859 -9.450 69 HD11 ILE 11 3HD1 ILE 11 -1.797 17.936 -10.359 70 HD12 ILE 11 1HD1 ILE 11 -1.254 17.808 -12.024 71 HD13 ILE 11 2HD1 ILE 11 -2.108 19.262 -11.487 72 H ARG 12 H ARG 12 1.514 14.910 -9.483 73 HA ARG 12 HA ARG 12 4.334 15.291 -9.033 74 HB2 ARG 12 2HB ARG 12 2.335 13.521 -7.680 75 HB3 ARG 12 1HB ARG 12 4.012 13.694 -7.191 76 HG2 ARG 12 2HG ARG 12 1.936 15.890 -7.220 77 HG3 ARG 12 1HG ARG 12 2.544 15.060 -5.785 78 HD2 ARG 12 2HD ARG 12 4.770 15.936 -6.184 79 HD3 ARG 12 1HD ARG 12 4.243 16.668 -7.693 80 HE ARG 12 HE ARG 12 2.708 17.639 -5.531 81 HH11 ARG 12 1HH1 ARG 12 5.909 17.890 -6.998 82 HH12 ARG 12 2HH1 ARG 12 6.167 19.490 -6.476 83 HH21 ARG 12 1HH2 ARG 12 3.055 19.830 -4.848 84 HH22 ARG 12 2HH2 ARG 12 4.509 20.622 -5.265 85 H LEU 13 H LEU 13 2.294 12.791 -10.391 86 HA LEU 13 HA LEU 13 2.643 11.023 -11.649 87 HB2 LEU 13 2HB LEU 13 5.007 12.578 -12.146 88 HB3 LEU 13 1HB LEU 13 4.943 10.982 -12.919 89 HG LEU 13 HG LEU 13 4.244 12.416 -14.589 90 HD11 LEU 13 1HD1 LEU 13 1.637 11.811 -13.239 91 HD12 LEU 13 2HD1 LEU 13 2.543 10.747 -14.309 92 HD13 LEU 13 3HD1 LEU 13 1.869 12.252 -14.931 93 HD21 LEU 13 3HD2 LEU 13 2.837 14.408 -14.276 94 HD22 LEU 13 1HD2 LEU 13 4.333 14.477 -13.345 95 HD23 LEU 13 2HD2 LEU 13 2.812 14.093 -12.540 96 H ASN 14 H ASN 14 5.652 11.375 -9.703 97 HA ASN 14 HA ASN 14 5.558 8.436 -9.531 98 HB2 ASN 14 2HB ASN 14 8.009 10.060 -10.154 99 HB3 ASN 14 1HB ASN 14 8.112 8.426 -9.510 100 HD21 ASN 14 1HD2 ASN 14 7.270 10.393 -12.233 101 HD22 ASN 14 2HD2 ASN 14 7.126 9.108 -13.365 102 H ASN 15 H ASN 15 7.862 10.700 -8.103 103 HA ASN 15 HA ASN 15 8.592 11.029 -6.035 104 HB2 ASN 15 2HB ASN 15 5.904 9.971 -5.094 105 HB3 ASN 15 1HB ASN 15 7.086 10.801 -4.092 106 HD21 ASN 15 1HD2 ASN 15 4.332 11.477 -4.678 107 HD22 ASN 15 2HD2 ASN 15 4.365 13.065 -5.366 108 H GLU 16 H GLU 16 10.194 9.582 -6.282 109 HA GLU 16 HA GLU 16 9.956 6.787 -5.828 110 HB2 GLU 16 2HB GLU 16 11.626 7.734 -7.322 111 HB3 GLU 16 1HB GLU 16 12.396 8.539 -5.964 112 HG2 GLU 16 2HG GLU 16 12.889 6.347 -4.978 113 HG3 GLU 16 1HG GLU 16 12.177 5.575 -6.395 114 H ASN 17 H ASN 17 11.302 9.427 -3.840 115 HA ASN 17 HA ASN 17 12.353 7.764 -1.818 116 HB2 ASN 17 2HB ASN 17 11.562 10.678 -1.685 117 HB3 ASN 17 1HB ASN 17 12.306 9.820 -0.346 118 HD21 ASN 17 1HD2 ASN 17 14.451 9.185 -0.506 119 HD22 ASN 17 2HD2 ASN 17 15.536 9.846 -1.655 120 H LEU 18 H LEU 18 9.208 9.119 -2.237 121 HA LEU 18 HA LEU 18 8.218 8.482 0.319 122 HB2 LEU 18 2HB LEU 18 6.759 8.824 -2.292 123 HB3 LEU 18 1HB LEU 18 5.967 8.660 -0.737 124 HG LEU 18 HG LEU 18 7.841 10.896 -1.510 125 HD11 LEU 18 1HD1 LEU 18 5.705 11.032 -2.666 126 HD12 LEU 18 2HD1 LEU 18 5.868 12.296 -1.450 127 HD13 LEU 18 3HD1 LEU 18 4.864 10.884 -1.128 128 HD21 LEU 18 3HD2 LEU 18 7.984 10.422 0.868 129 HD22 LEU 18 1HD2 LEU 18 6.218 10.448 0.981 130 HD23 LEU 18 2HD2 LEU 18 7.099 11.918 0.580 131 H TRP 19 H TRP 19 8.533 6.584 -2.573 132 HA TRP 19 HA TRP 19 6.979 4.375 -1.722 133 HB2 TRP 19 2HB TRP 19 7.601 4.653 -4.089 134 HB3 TRP 19 1HB TRP 19 9.297 4.501 -3.676 135 HD1 TRP 19 HD1 TRP 19 10.241 2.217 -4.243 136 HE1 TRP 19 HE1 TRP 19 9.338 -0.181 -4.423 137 HE3 TRP 19 HE3 TRP 19 5.379 3.040 -2.871 138 HZ2 TRP 19 HZ2 TRP 19 6.932 -1.544 -4.031 139 HZ3 TRP 19 HZ3 TRP 19 3.845 1.113 -2.801 140 HH2 TRP 19 HH2 TRP 19 4.609 -1.124 -3.366 141 H ALA 20 H ALA 20 10.349 5.218 -1.249 142 HA ALA 20 HA ALA 20 11.072 2.774 -0.003 143 HB1 ALA 20 3HB ALA 20 12.329 5.491 0.392 144 HB2 ALA 20 1HB ALA 20 12.749 4.338 -0.882 145 HB3 ALA 20 2HB ALA 20 13.040 3.927 0.808 146 H TRP 21 H TRP 21 9.840 5.827 1.239 147 HA TRP 21 HA TRP 21 9.895 5.269 3.978 148 HB2 TRP 21 2HB TRP 21 9.315 7.521 3.232 149 HB3 TRP 21 1HB TRP 21 7.910 6.918 2.365 150 HD1 TRP 21 HD1 TRP 21 9.092 7.827 5.906 151 HE1 TRP 21 HE1 TRP 21 7.000 7.986 7.461 152 HE3 TRP 21 HE3 TRP 21 5.485 6.080 2.717 153 HZ2 TRP 21 HZ2 TRP 21 4.274 7.412 7.362 154 HZ3 TRP 21 HZ3 TRP 21 3.171 5.926 3.530 155 HH2 TRP 21 HH2 TRP 21 2.581 6.583 5.799 156 H LEU 22 H LEU 22 7.429 4.703 1.553 157 HA LEU 22 HA LEU 22 5.493 3.561 3.197 158 HB2 LEU 22 2HB LEU 22 5.170 4.486 0.898 159 HB3 LEU 22 1HB LEU 22 5.938 3.050 0.259 160 HG LEU 22 HG LEU 22 4.088 1.685 1.217 161 HD11 LEU 22 1HD1 LEU 22 2.057 2.815 1.962 162 HD12 LEU 22 2HD1 LEU 22 2.862 4.374 1.813 163 HD13 LEU 22 3HD1 LEU 22 3.418 3.209 3.012 164 HD21 LEU 22 3HD2 LEU 22 2.420 2.372 -0.423 165 HD22 LEU 22 1HD2 LEU 22 4.047 2.408 -1.104 166 HD23 LEU 22 2HD2 LEU 22 3.259 3.911 -0.632 167 H VAL 23 H VAL 23 7.872 1.976 1.053 168 HA VAL 23 HA VAL 23 7.224 -0.661 1.548 169 HB VAL 23 HB VAL 23 9.914 0.570 0.883 170 HG11 VAL 23 1HG1 VAL 23 10.656 -1.648 0.221 171 HG12 VAL 23 2HG1 VAL 23 9.148 -2.349 0.829 172 HG13 VAL 23 3HG1 VAL 23 10.292 -1.588 1.946 173 HG21 VAL 23 3HG2 VAL 23 8.192 0.832 -0.801 174 HG22 VAL 23 1HG2 VAL 23 7.890 -0.904 -0.782 175 HG23 VAL 23 2HG2 VAL 23 9.441 -0.285 -1.346 176 H ARG 24 H ARG 24 9.595 1.316 3.296 177 HA ARG 24 HA ARG 24 10.367 -0.831 5.022 178 HB2 ARG 24 2HB ARG 24 10.789 2.140 5.380 179 HB3 ARG 24 1HB ARG 24 11.589 0.873 6.296 180 HG2 ARG 24 2HG ARG 24 12.659 0.083 4.221 181 HG3 ARG 24 1HG ARG 24 11.875 1.394 3.347 182 HD2 ARG 24 2HD ARG 24 13.026 3.039 4.737 183 HD3 ARG 24 1HD ARG 24 13.806 1.745 5.642 184 HE ARG 24 HE ARG 24 14.309 1.493 2.881 185 HH11 ARG 24 1HH1 ARG 24 15.237 3.508 5.627 186 HH12 ARG 24 2HH1 ARG 24 16.810 3.824 5.092 187 HH21 ARG 24 1HH2 ARG 24 16.506 1.944 2.082 188 HH22 ARG 24 2HH2 ARG 24 17.550 2.913 3.006 189 H LEU 25 H LEU 25 7.921 1.625 5.194 190 HA LEU 25 HA LEU 25 7.530 1.353 8.038 191 HB2 LEU 25 2HB LEU 25 7.050 3.410 6.544 192 HB3 LEU 25 1HB LEU 25 5.663 2.554 5.954 193 HG LEU 25 HG LEU 25 4.976 4.252 7.569 194 HD11 LEU 25 1HD1 LEU 25 3.628 2.341 7.527 195 HD12 LEU 25 2HD1 LEU 25 3.714 3.057 9.136 196 HD13 LEU 25 3HD1 LEU 25 4.614 1.572 8.779 197 HD21 LEU 25 3HD2 LEU 25 5.670 4.220 9.871 198 HD22 LEU 25 1HD2 LEU 25 7.057 4.415 8.800 199 HD23 LEU 25 2HD2 LEU 25 6.734 2.850 9.554 200 H LEU 26 H LEU 26 5.886 0.297 5.074 201 HA LEU 26 HA LEU 26 3.877 -1.186 6.362 202 HB2 LEU 26 2HB LEU 26 5.008 -1.291 3.583 203 HB3 LEU 26 1HB LEU 26 3.557 -2.110 4.103 204 HG LEU 26 HG LEU 26 3.812 0.472 2.999 205 HD11 LEU 26 1HD1 LEU 26 1.620 -0.927 4.385 206 HD12 LEU 26 2HD1 LEU 26 2.072 -1.169 2.679 207 HD13 LEU 26 3HD1 LEU 26 1.358 0.380 3.221 208 HD21 LEU 26 3HD2 LEU 26 2.535 0.648 5.730 209 HD22 LEU 26 1HD2 LEU 26 2.684 1.939 4.541 210 HD23 LEU 26 2HD2 LEU 26 4.123 1.313 5.355 211 H SER 27 H SER 27 7.162 -1.892 5.538 212 HA SER 27 HA SER 27 6.999 -4.671 5.681 213 HB2 SER 27 2HB SER 27 8.980 -3.500 4.803 214 HB3 SER 27 1HB SER 27 9.290 -2.769 6.362 215 HG SER 27 HG SER 27 9.176 -5.587 6.073 216 H LYS 28 H LYS 28 6.517 -2.241 8.027 217 HA LYS 28 HA LYS 28 7.093 -4.021 10.203 218 HB2 LYS 28 2HB LYS 28 6.121 -1.203 10.400 219 HB3 LYS 28 1HB LYS 28 6.971 -2.153 11.620 220 HG2 LYS 28 2HG LYS 28 8.872 -2.213 9.749 221 HG3 LYS 28 1HG LYS 28 7.921 -0.940 9.142 222 HD2 LYS 28 2HD LYS 28 8.845 -0.895 11.953 223 HD3 LYS 28 1HD LYS 28 9.811 -0.217 10.634 224 HE2 LYS 28 2HE LYS 28 7.961 1.277 10.065 225 HE3 LYS 28 1HE LYS 28 7.002 0.610 11.389 226 HZ1 LYS 28 3HZ LYS 28 9.595 1.998 11.702 227 HZ2 LYS 28 1HZ LYS 28 8.590 1.441 12.941 228 HZ3 LYS 28 2HZ LYS 28 8.093 2.711 11.940 229 H ASN 29 H ASN 29 4.559 -3.365 8.131 230 HA ASN 29 HA ASN 29 2.558 -4.075 10.104 231 HB2 ASN 29 2HB ASN 29 0.867 -2.438 9.062 232 HB3 ASN 29 1HB ASN 29 2.262 -1.696 9.883 233 HD21 ASN 29 1HD2 ASN 29 3.376 -0.344 8.945 234 HD22 ASN 29 2HD2 ASN 29 3.176 0.142 7.299 235 HA PRO 30 HA PRO 30 2.282 -6.265 5.900 236 HB2 PRO 30 2HB PRO 30 3.064 -8.755 7.218 237 HB3 PRO 30 1HB PRO 30 3.821 -7.952 5.839 238 HG2 PRO 30 2HG PRO 30 5.033 -8.101 8.240 239 HG3 PRO 30 1HG PRO 30 5.229 -6.700 7.170 240 HD2 PRO 30 2HD PRO 30 3.389 -7.010 9.531 241 HD3 PRO 30 1HD PRO 30 4.456 -5.664 9.154 242 H GLU 31 H GLU 31 1.293 -6.963 9.105 243 HA GLU 31 HA GLU 31 -0.648 -8.966 8.476 244 HB2 GLU 31 2HB GLU 31 -0.479 -7.299 10.993 245 HB3 GLU 31 1HB GLU 31 -1.235 -8.862 10.789 246 HG2 GLU 31 2HG GLU 31 1.703 -8.328 10.550 247 HG3 GLU 31 1HG GLU 31 0.901 -9.050 11.953 248 H TRP 32 H TRP 32 -0.737 -5.592 9.532 249 HA TRP 32 HA TRP 32 -3.473 -5.119 9.199 250 HB2 TRP 32 2HB TRP 32 -2.165 -3.531 10.470 251 HB3 TRP 32 1HB TRP 32 -1.079 -3.256 9.116 252 HD1 TRP 32 HD1 TRP 32 -4.494 -2.201 10.469 253 HE1 TRP 32 HE1 TRP 32 -5.377 -0.230 9.098 254 HE3 TRP 32 HE3 TRP 32 -0.964 -2.183 6.833 255 HZ2 TRP 32 HZ2 TRP 32 -4.592 1.238 6.644 256 HZ3 TRP 32 HZ3 TRP 32 -1.068 -0.574 5.058 257 HH2 TRP 32 HH2 TRP 32 -2.859 1.121 4.960 258 H LEU 33 H LEU 33 -0.729 -4.719 7.008 259 HA LEU 33 HA LEU 33 -2.042 -3.534 4.875 260 HB2 LEU 33 2HB LEU 33 0.449 -3.854 5.307 261 HB3 LEU 33 1HB LEU 33 0.269 -5.461 4.696 262 HG LEU 33 HG LEU 33 1.251 -3.770 3.074 263 HD11 LEU 33 1HD1 LEU 33 -1.299 -5.045 2.244 264 HD12 LEU 33 2HD1 LEU 33 0.294 -5.846 2.210 265 HD13 LEU 33 3HD1 LEU 33 -0.057 -4.449 1.158 266 HD21 LEU 33 3HD2 LEU 33 -0.240 -2.280 1.963 267 HD22 LEU 33 1HD2 LEU 33 -0.181 -1.932 3.687 268 HD23 LEU 33 2HD2 LEU 33 -1.569 -2.793 2.999 269 H SER 34 H SER 34 -1.566 -6.917 5.637 270 HA SER 34 HA SER 34 -2.848 -7.958 3.368 271 HB2 SER 34 2HB SER 34 -2.550 -9.162 6.131 272 HB3 SER 34 1HB SER 34 -3.016 -10.066 4.689 273 HG SER 34 HG SER 34 -0.572 -8.824 5.311 274 H ALA 35 H ALA 35 -4.178 -7.389 6.607 275 HA ALA 35 HA ALA 35 -6.824 -7.948 6.208 276 HB1 ALA 35 3HB ALA 35 -7.296 -6.404 8.046 277 HB2 ALA 35 1HB ALA 35 -5.691 -5.701 7.868 278 HB3 ALA 35 2HB ALA 35 -5.865 -7.379 8.385 279 H LYS 36 H LYS 36 -5.135 -4.931 5.397 280 HA LYS 36 HA LYS 36 -7.535 -3.762 4.413 281 HB2 LYS 36 2HB LYS 36 -4.646 -2.775 4.186 282 HB3 LYS 36 1HB LYS 36 -6.017 -1.865 3.573 283 HG2 LYS 36 2HG LYS 36 -5.725 -2.773 6.382 284 HG3 LYS 36 1HG LYS 36 -5.205 -1.207 5.767 285 HD2 LYS 36 2HD LYS 36 -7.996 -2.149 5.310 286 HD3 LYS 36 1HD LYS 36 -7.560 -1.411 6.874 287 HE2 LYS 36 2HE LYS 36 -6.737 0.531 5.456 288 HE3 LYS 36 1HE LYS 36 -7.543 -0.255 4.098 289 HZ1 LYS 36 3HZ LYS 36 -8.808 0.606 6.632 290 HZ2 LYS 36 1HZ LYS 36 -9.627 -0.179 5.384 291 HZ3 LYS 36 2HZ LYS 36 -9.022 1.374 5.164 292 H LEU 37 H LEU 37 -4.955 -5.568 2.912 293 HA LEU 37 HA LEU 37 -5.704 -5.250 0.250 294 HB2 LEU 37 2HB LEU 37 -4.680 -7.763 1.575 295 HB3 LEU 37 1HB LEU 37 -4.809 -7.529 -0.150 296 HG LEU 37 HG LEU 37 -2.967 -6.092 1.741 297 HD11 LEU 37 1HD1 LEU 37 -2.445 -8.082 -0.459 298 HD12 LEU 37 2HD1 LEU 37 -2.297 -8.371 1.275 299 HD13 LEU 37 3HD1 LEU 37 -1.208 -7.241 0.474 300 HD21 LEU 37 3HD2 LEU 37 -3.640 -4.555 0.013 301 HD22 LEU 37 1HD2 LEU 37 -3.310 -5.756 -1.241 302 HD23 LEU 37 2HD2 LEU 37 -1.988 -5.088 -0.285 303 H ARG 38 H ARG 38 -7.091 -7.212 2.772 304 HA ARG 38 HA ARG 38 -8.764 -8.910 1.275 305 HB2 ARG 38 2HB ARG 38 -9.582 -7.641 3.856 306 HB3 ARG 38 1HB ARG 38 -10.095 -9.182 3.201 307 HG2 ARG 38 2HG ARG 38 -7.690 -10.003 3.563 308 HG3 ARG 38 1HG ARG 38 -7.410 -8.451 4.216 309 HD2 ARG 38 2HD ARG 38 -9.138 -8.729 5.883 310 HD3 ARG 38 1HD ARG 38 -9.518 -10.310 5.197 311 HE ARG 38 HE ARG 38 -6.837 -10.326 5.911 312 HH11 ARG 38 1HH1 ARG 38 -9.973 -10.089 7.561 313 HH12 ARG 38 2HH1 ARG 38 -9.425 -10.826 8.988 314 HH21 ARG 38 1HH2 ARG 38 -6.109 -11.317 7.895 315 HH22 ARG 38 2HH2 ARG 38 -7.181 -11.511 9.202 316 H SER 39 H SER 39 -9.187 -5.637 2.389 317 HA SER 39 HA SER 39 -11.938 -5.336 1.751 318 HB2 SER 39 2HB SER 39 -10.674 -4.056 3.508 319 HB3 SER 39 1HB SER 39 -9.831 -3.245 2.197 320 HG SER 39 HG SER 39 -12.097 -2.627 1.503 321 H PHE 40 H PHE 40 -8.921 -4.574 0.197 322 HA PHE 40 HA PHE 40 -10.221 -3.206 -2.032 323 HB2 PHE 40 2HB PHE 40 -7.374 -3.670 -1.266 324 HB3 PHE 40 1HB PHE 40 -7.857 -2.806 -2.732 325 HD1 PHE 40 HD2 PHE 40 -9.638 -1.002 -2.338 326 HD2 PHE 40 HD1 PHE 40 -7.078 -2.367 0.746 327 HE1 PHE 40 HE2 PHE 40 -10.084 1.078 -1.046 328 HE2 PHE 40 HE1 PHE 40 -7.508 -0.342 2.028 329 HZ PHE 40 HZ PHE 40 -9.009 1.395 1.145 330 H LEU 41 H LEU 41 -8.130 -6.073 -1.663 331 HA LEU 41 HA LEU 41 -8.393 -6.794 -4.405 332 HB2 LEU 41 2HB LEU 41 -7.127 -8.089 -2.007 333 HB3 LEU 41 1HB LEU 41 -7.260 -8.904 -3.540 334 HG LEU 41 HG LEU 41 -5.896 -7.175 -4.578 335 HD11 LEU 41 1HD1 LEU 41 -5.638 -6.117 -1.831 336 HD12 LEU 41 2HD1 LEU 41 -6.471 -5.400 -3.219 337 HD13 LEU 41 3HD1 LEU 41 -4.702 -5.576 -3.251 338 HD21 LEU 41 3HD2 LEU 41 -4.865 -9.212 -3.761 339 HD22 LEU 41 1HD2 LEU 41 -4.687 -8.496 -2.159 340 HD23 LEU 41 2HD2 LEU 41 -3.785 -7.840 -3.520 341 HA PRO 42 HA PRO 42 -12.111 -9.126 -3.626 342 HB2 PRO 42 2HB PRO 42 -12.280 -10.259 -6.102 343 HB3 PRO 42 1HB PRO 42 -12.767 -8.594 -5.770 344 HG2 PRO 42 2HG PRO 42 -10.241 -9.623 -6.989 345 HG3 PRO 42 1HG PRO 42 -11.196 -8.198 -7.427 346 HD2 PRO 42 2HD PRO 42 -8.909 -8.071 -5.935 347 HD3 PRO 42 1HD PRO 42 -10.224 -6.901 -5.777 348 H THR 43 H THR 43 -9.057 -10.378 -4.688 349 HA THR 43 HA THR 43 -9.870 -13.114 -4.089 350 HB THR 43 HB THR 43 -7.688 -13.590 -5.338 351 HG1 THR 43 HG1 THR 43 -7.284 -11.762 -6.805 352 HG21 THR 43 3HG2 THR 43 -8.825 -13.316 -7.508 353 HG22 THR 43 1HG2 THR 43 -9.990 -12.236 -6.739 354 HG23 THR 43 2HG2 THR 43 -9.937 -13.941 -6.284 355 H MET 44 H MET 44 -7.714 -10.702 -3.228 356 HA MET 44 HA MET 44 -5.838 -10.536 -1.980 357 HB2 MET 44 2HB MET 44 -6.231 -11.437 0.509 358 HB3 MET 44 1HB MET 44 -6.868 -9.935 -0.128 359 HG2 MET 44 2HG MET 44 -8.846 -10.551 -0.032 360 HG3 MET 44 1HG MET 44 -8.636 -12.288 -0.457 361 HE1 MET 44 3HE MET 44 -7.892 -14.044 1.543 362 HE2 MET 44 1HE MET 44 -7.594 -13.538 3.204 363 HE3 MET 44 2HE MET 44 -6.510 -13.017 1.917 364 H ASP 45 H ASP 45 -4.117 -11.620 -2.796 365 HA ASP 45 HA ASP 45 -3.607 -14.359 -1.848 366 HB2 ASP 45 2HB ASP 45 -1.883 -14.362 -3.622 367 HB3 ASP 45 1HB ASP 45 -3.438 -13.906 -4.305 368 H LEU 46 H LEU 46 -3.525 -13.014 0.141 369 HA LEU 46 HA LEU 46 -1.041 -11.563 0.540 370 HB2 LEU 46 2HB LEU 46 -2.093 -10.915 2.711 371 HB3 LEU 46 1HB LEU 46 -2.920 -10.385 1.263 372 HG LEU 46 HG LEU 46 -4.434 -12.432 1.605 373 HD11 LEU 46 1HD1 LEU 46 -4.766 -13.159 3.904 374 HD12 LEU 46 2HD1 LEU 46 -3.315 -12.273 4.383 375 HD13 LEU 46 3HD1 LEU 46 -3.193 -13.624 3.259 376 HD21 LEU 46 3HD2 LEU 46 -5.895 -11.190 3.111 377 HD22 LEU 46 1HD2 LEU 46 -5.204 -10.176 1.851 378 HD23 LEU 46 2HD2 LEU 46 -4.569 -10.094 3.487 379 H ASP 47 H ASP 47 -2.288 -14.624 1.135 380 HA ASP 47 HA ASP 47 -0.635 -15.023 3.484 381 HB2 ASP 47 2HB ASP 47 -2.899 -16.003 3.452 382 HB3 ASP 47 1HB ASP 47 -2.444 -17.002 2.082 383 H CYS 48 H CYS 48 -0.047 -14.948 0.367 384 HA CYS 48 HA CYS 48 1.615 -17.280 0.102 385 HB2 CYS 48 2HB CYS 48 1.496 -14.852 -1.685 386 HB3 CYS 48 1HB CYS 48 2.084 -16.462 -2.101 387 HG CYS 48 HG CYS 48 -0.433 -15.750 -3.279 388 H SER 49 H SER 49 2.746 -16.590 2.153 389 HA SER 49 HA SER 49 4.723 -14.514 1.743 390 HB2 SER 49 2HB SER 49 4.187 -16.204 4.204 391 HB3 SER 49 1HB SER 49 5.176 -14.745 4.121 392 HG SER 49 HG SER 49 2.900 -14.025 3.140 393 H TYR 50 H TYR 50 5.785 -15.595 0.117 394 HA TYR 50 HA TYR 50 7.261 -17.994 0.678 395 HB2 TYR 50 2HB TYR 50 8.359 -17.046 -1.628 396 HB3 TYR 50 1HB TYR 50 6.906 -18.058 -1.567 397 HD1 TYR 50 HD1 TYR 50 7.953 -14.454 -1.536 398 HD2 TYR 50 HD2 TYR 50 4.958 -17.297 -2.550 399 HE1 TYR 50 HE1 TYR 50 6.630 -12.680 -2.622 400 HE2 TYR 50 HE2 TYR 50 3.636 -15.532 -3.629 401 HH TYR 50 HH TYR 50 3.395 -13.036 -3.434 402 H GLU 51 H GLU 51 7.700 -14.721 0.776 403 HA GLU 51 HA GLU 51 10.303 -14.954 1.935 404 HB2 GLU 51 2HB GLU 51 9.161 -13.031 -0.070 405 HB3 GLU 51 1HB GLU 51 10.544 -12.698 0.919 406 HG2 GLU 51 2HG GLU 51 11.703 -14.650 -0.133 407 HG3 GLU 51 1HG GLU 51 10.290 -14.876 -1.162 408 HA PRO 52 HA PRO 52 8.019 -12.390 4.837 409 HB2 PRO 52 2HB PRO 52 10.224 -10.576 5.366 410 HB3 PRO 52 1HB PRO 52 9.622 -11.884 6.383 411 HG2 PRO 52 2HG PRO 52 12.025 -11.847 5.127 412 HG3 PRO 52 1HG PRO 52 11.186 -13.330 5.633 413 HD2 PRO 52 2HD PRO 52 11.420 -12.089 2.928 414 HD3 PRO 52 1HD PRO 52 11.360 -13.806 3.378 415 H SER 53 H SER 53 8.734 -9.618 5.333 416 HA SER 53 HA SER 53 7.088 -8.428 3.326 417 HB2 SER 53 2HB SER 53 7.382 -6.365 4.748 418 HB3 SER 53 1HB SER 53 6.659 -7.754 5.557 419 HG SER 53 HG SER 53 8.447 -8.048 6.714 420 H ASN 54 H ASN 54 9.397 -9.313 2.168 421 HA ASN 54 HA ASN 54 11.487 -7.532 1.718 422 HB2 ASN 54 2HB ASN 54 10.286 -9.866 0.404 423 HB3 ASN 54 1HB ASN 54 11.343 -8.893 -0.590 424 HD21 ASN 54 1HD2 ASN 54 12.864 -10.574 -0.696 425 HD22 ASN 54 2HD2 ASN 54 13.829 -11.032 0.654 426 HA PRO 55 HA PRO 55 9.978 -4.158 -0.616 427 HB2 PRO 55 2HB PRO 55 11.793 -4.134 -2.736 428 HB3 PRO 55 1HB PRO 55 12.021 -3.350 -1.172 429 HG2 PRO 55 2HG PRO 55 13.026 -5.985 -2.142 430 HG3 PRO 55 1HG PRO 55 13.834 -4.796 -1.109 431 HD2 PRO 55 2HD PRO 55 12.789 -7.020 -0.085 432 HD3 PRO 55 1HD PRO 55 12.665 -5.480 0.789 433 H GLU 56 H GLU 56 10.837 -6.904 -2.726 434 HA GLU 56 HA GLU 56 9.091 -5.987 -4.788 435 HB2 GLU 56 2HB GLU 56 10.530 -8.577 -4.407 436 HB3 GLU 56 1HB GLU 56 9.565 -8.207 -5.837 437 HG2 GLU 56 2HG GLU 56 11.006 -6.271 -6.268 438 HG3 GLU 56 1HG GLU 56 11.984 -6.707 -4.872 439 H VAL 57 H VAL 57 8.830 -8.099 -2.096 440 HA VAL 57 HA VAL 57 6.443 -9.390 -2.836 441 HB VAL 57 HB VAL 57 7.521 -8.759 -0.057 442 HG11 VAL 57 1HG1 VAL 57 5.427 -10.774 -0.883 443 HG12 VAL 57 2HG1 VAL 57 5.139 -9.287 0.029 444 HG13 VAL 57 3HG1 VAL 57 6.106 -10.587 0.736 445 HG21 VAL 57 3HG2 VAL 57 8.338 -11.047 -0.038 446 HG22 VAL 57 1HG2 VAL 57 9.061 -10.118 -1.352 447 HG23 VAL 57 2HG2 VAL 57 7.774 -11.275 -1.696 448 H ILE 58 H ILE 58 7.188 -6.667 -0.769 449 HA ILE 58 HA ILE 58 4.659 -5.670 -0.229 450 HB ILE 58 HB ILE 58 7.301 -4.241 -0.564 451 HG12 ILE 58 2HG1 ILE 58 7.268 -5.844 1.267 452 HG13 ILE 58 1HG1 ILE 58 7.320 -4.197 1.876 453 HG21 ILE 58 1HG2 ILE 58 6.379 -2.321 0.608 454 HG22 ILE 58 2HG2 ILE 58 4.794 -3.092 0.622 455 HG23 ILE 58 3HG2 ILE 58 5.525 -2.617 -0.911 456 HD11 ILE 58 3HD1 ILE 58 4.888 -5.981 1.804 457 HD12 ILE 58 1HD1 ILE 58 4.925 -4.307 2.373 458 HD13 ILE 58 2HD1 ILE 58 5.844 -5.547 3.218 459 H HIS 59 H HIS 59 6.843 -4.879 -2.888 460 HA HIS 59 HA HIS 59 5.310 -2.987 -4.245 461 HB2 HIS 59 2HB HIS 59 7.668 -3.434 -4.821 462 HB3 HIS 59 1HB HIS 59 7.248 -5.045 -5.350 463 HD1 HIS 59 HD1 HIS 59 7.079 -5.278 -7.822 464 HD2 HIS 59 HD2 HIS 59 6.325 -1.382 -6.582 465 HE1 HIS 59 HE1 HIS 59 6.745 -3.968 -9.908 466 HE2 HIS 59 HE2 HIS 59 6.133 -1.665 -9.156 467 H ARG 60 H ARG 60 5.140 -6.468 -4.476 468 HA ARG 60 HA ARG 60 3.302 -6.593 -6.595 469 HB2 ARG 60 2HB ARG 60 4.759 -8.371 -5.943 470 HB3 ARG 60 1HB ARG 60 4.056 -8.412 -4.349 471 HG2 ARG 60 2HG ARG 60 2.059 -9.307 -5.138 472 HG3 ARG 60 1HG ARG 60 2.524 -9.087 -6.844 473 HD2 ARG 60 2HD ARG 60 3.914 -10.789 -4.802 474 HD3 ARG 60 1HD ARG 60 2.905 -11.411 -6.123 475 HE ARG 60 HE ARG 60 4.587 -10.279 -7.614 476 HH11 ARG 60 1HH1 ARG 60 5.533 -11.663 -4.487 477 HH12 ARG 60 2HH1 ARG 60 7.198 -11.713 -4.873 478 HH21 ARG 60 1HH2 ARG 60 6.838 -10.423 -8.131 479 HH22 ARG 60 2HH2 ARG 60 7.949 -11.042 -6.990 480 H GLN 61 H GLN 61 3.009 -6.528 -3.116 481 HA GLN 61 HA GLN 61 0.225 -7.068 -2.976 482 HB2 GLN 61 2HB GLN 61 2.027 -5.735 -0.973 483 HB3 GLN 61 1HB GLN 61 0.445 -6.446 -0.642 484 HG2 GLN 61 2HG GLN 61 1.234 -8.522 -1.435 485 HG3 GLN 61 1HG GLN 61 2.842 -7.907 -1.679 486 HE21 GLN 61 1HE2 GLN 61 0.562 -8.965 0.652 487 HE22 GLN 61 2HE2 GLN 61 1.611 -8.954 2.021 488 H LEU 62 H LEU 62 2.140 -4.210 -3.000 489 HA LEU 62 HA LEU 62 -0.183 -2.550 -2.586 490 HB2 LEU 62 2HB LEU 62 2.705 -1.861 -3.041 491 HB3 LEU 62 1HB LEU 62 1.482 -0.615 -3.111 492 HG LEU 62 HG LEU 62 2.588 -0.603 -0.925 493 HD11 LEU 62 1HD1 LEU 62 -0.218 -1.634 -0.672 494 HD12 LEU 62 2HD1 LEU 62 0.259 0.041 -0.952 495 HD13 LEU 62 3HD1 LEU 62 0.687 -0.756 0.557 496 HD21 LEU 62 3HD2 LEU 62 2.388 -2.426 0.661 497 HD22 LEU 62 1HD2 LEU 62 3.237 -2.956 -0.791 498 HD23 LEU 62 2HD2 LEU 62 1.550 -3.403 -0.546 499 H ASN 63 H ASN 63 1.678 -3.617 -5.330 500 HA ASN 63 HA ASN 63 0.724 -2.160 -7.433 501 HB2 ASN 63 2HB ASN 63 2.389 -3.950 -7.540 502 HB3 ASN 63 1HB ASN 63 1.126 -5.075 -7.075 503 HD21 ASN 63 1HD2 ASN 63 2.082 -2.962 -9.674 504 HD22 ASN 63 2HD2 ASN 63 1.118 -3.810 -10.819 505 H ARG 64 H ARG 64 -0.585 -4.954 -5.885 506 HA ARG 64 HA ARG 64 -2.824 -5.485 -7.340 507 HB2 ARG 64 2HB ARG 64 -2.218 -5.859 -4.443 508 HB3 ARG 64 1HB ARG 64 -3.790 -6.303 -5.082 509 HG2 ARG 64 2HG ARG 64 -1.252 -7.357 -6.273 510 HG3 ARG 64 1HG ARG 64 -2.034 -8.141 -4.895 511 HD2 ARG 64 2HD ARG 64 -4.086 -8.285 -6.227 512 HD3 ARG 64 1HD ARG 64 -3.227 -7.599 -7.602 513 HE ARG 64 HE ARG 64 -1.677 -9.561 -7.318 514 HH11 ARG 64 1HH1 ARG 64 -5.126 -9.810 -6.520 515 HH12 ARG 64 2HH1 ARG 64 -5.215 -11.479 -6.862 516 HH21 ARG 64 1HH2 ARG 64 -1.857 -11.845 -7.855 517 HH22 ARG 64 2HH2 ARG 64 -3.345 -12.650 -7.661 518 H LEU 65 H LEU 65 -2.416 -3.060 -4.843 519 HA LEU 65 HA LEU 65 -5.183 -2.366 -4.613 520 HB2 LEU 65 2HB LEU 65 -2.727 -0.815 -3.915 521 HB3 LEU 65 1HB LEU 65 -4.364 -0.405 -3.429 522 HG LEU 65 HG LEU 65 -2.815 -2.846 -2.579 523 HD11 LEU 65 1HD1 LEU 65 -2.891 -1.761 -0.417 524 HD12 LEU 65 2HD1 LEU 65 -3.739 -0.405 -1.175 525 HD13 LEU 65 3HD1 LEU 65 -2.065 -0.750 -1.615 526 HD21 LEU 65 3HD2 LEU 65 -4.699 -3.194 -1.055 527 HD22 LEU 65 1HD2 LEU 65 -5.180 -3.331 -2.745 528 HD23 LEU 65 2HD2 LEU 65 -5.554 -1.869 -1.838 529 H PHE 66 H PHE 66 -2.436 -1.068 -6.368 530 HA PHE 66 HA PHE 66 -3.786 1.142 -7.487 531 HB2 PHE 66 2HB PHE 66 -1.327 0.976 -7.397 532 HB3 PHE 66 1HB PHE 66 -1.373 -0.379 -8.512 533 HD1 PHE 66 HD2 PHE 66 -2.650 3.130 -8.346 534 HD2 PHE 66 HD1 PHE 66 -0.810 0.089 -10.688 535 HE1 PHE 66 HE2 PHE 66 -2.455 4.699 -10.229 536 HE2 PHE 66 HE1 PHE 66 -0.611 1.658 -12.569 537 HZ PHE 66 HZ PHE 66 -1.433 3.963 -12.344 538 H ALA 67 H ALA 67 -3.436 -2.181 -8.400 539 HA ALA 67 HA ALA 67 -4.629 -2.003 -10.951 540 HB1 ALA 67 3HB ALA 67 -3.233 -3.880 -10.282 541 HB2 ALA 67 1HB ALA 67 -4.819 -4.421 -10.831 542 HB3 ALA 67 2HB ALA 67 -4.451 -4.369 -9.105 543 H GLN 68 H GLN 68 -6.041 -2.123 -7.675 544 HA GLN 68 HA GLN 68 -8.615 -2.891 -8.516 545 HB2 GLN 68 2HB GLN 68 -7.569 -1.384 -6.172 546 HB3 GLN 68 1HB GLN 68 -9.239 -1.821 -6.318 547 HG2 GLN 68 2HG GLN 68 -6.890 -3.354 -5.335 548 HG3 GLN 68 1HG GLN 68 -8.539 -3.393 -4.935 549 HE21 GLN 68 1HE2 GLN 68 -6.560 -5.493 -5.689 550 HE22 GLN 68 2HE2 GLN 68 -7.424 -6.552 -6.740 551 H GLY 69 H GLY 69 -6.765 0.037 -8.083 552 HA2 GLY 69 2HA GLY 69 -8.250 1.778 -9.736 553 HA3 GLY 69 1HA GLY 69 -8.863 1.828 -8.116 554 H MET 70 H MET 70 -7.014 3.451 -9.999 555 HA MET 70 HA MET 70 -4.897 4.007 -8.174 556 HB2 MET 70 2HB MET 70 -4.485 6.056 -9.499 557 HB3 MET 70 1HB MET 70 -4.632 4.651 -10.529 558 HG2 MET 70 2HG MET 70 -5.733 6.380 -11.656 559 HG3 MET 70 1HG MET 70 -7.004 5.380 -10.967 560 HE1 MET 70 3HE MET 70 -8.795 7.227 -11.377 561 HE2 MET 70 1HE MET 70 -7.558 8.228 -12.136 562 HE3 MET 70 2HE MET 70 -8.614 8.913 -10.902 563 H ALA 71 H ALA 71 -8.132 4.833 -8.567 564 HA ALA 71 HA ALA 71 -8.297 6.935 -6.634 565 HB1 ALA 71 3HB ALA 71 -10.332 5.033 -7.769 566 HB2 ALA 71 1HB ALA 71 -10.000 6.660 -8.347 567 HB3 ALA 71 2HB ALA 71 -10.744 6.424 -6.758 568 H THR 72 H THR 72 -8.703 3.386 -6.646 569 HA THR 72 HA THR 72 -9.389 2.960 -4.022 570 HB THR 72 HB THR 72 -7.752 1.358 -6.000 571 HG1 THR 72 HG1 THR 72 -10.140 0.356 -5.391 572 HG21 THR 72 3HG2 THR 72 -8.343 -0.636 -4.491 573 HG22 THR 72 1HG2 THR 72 -8.849 0.525 -3.301 574 HG23 THR 72 2HG2 THR 72 -7.161 0.456 -3.784 575 H TRP 73 H TRP 73 -6.224 3.349 -5.562 576 HA TRP 73 HA TRP 73 -4.661 2.919 -3.302 577 HB2 TRP 73 2HB TRP 73 -3.760 2.950 -5.594 578 HB3 TRP 73 1HB TRP 73 -4.066 4.683 -5.689 579 HD1 TRP 73 HD1 TRP 73 -2.280 6.247 -4.705 580 HE1 TRP 73 HE1 TRP 73 -0.017 5.904 -3.530 581 HE3 TRP 73 HE3 TRP 73 -2.544 1.246 -3.981 582 HZ2 TRP 73 HZ2 TRP 73 1.454 3.773 -2.446 583 HZ3 TRP 73 HZ3 TRP 73 -0.669 0.115 -2.876 584 HH2 TRP 73 HH2 TRP 73 1.293 1.364 -2.125 585 H LYS 74 H LYS 74 -5.941 5.984 -4.631 586 HA LYS 74 HA LYS 74 -5.012 7.755 -2.736 587 HB2 LYS 74 2HB LYS 74 -7.734 7.810 -4.088 588 HB3 LYS 74 1HB LYS 74 -6.947 9.189 -3.326 589 HG2 LYS 74 2HG LYS 74 -5.153 9.017 -4.964 590 HG3 LYS 74 1HG LYS 74 -6.004 7.675 -5.716 591 HD2 LYS 74 2HD LYS 74 -7.900 9.140 -6.181 592 HD3 LYS 74 1HD LYS 74 -7.042 10.471 -5.386 593 HE2 LYS 74 2HE LYS 74 -5.247 10.306 -6.954 594 HE3 LYS 74 1HE LYS 74 -6.031 8.932 -7.734 595 HZ1 LYS 74 3HZ LYS 74 -6.264 11.106 -8.871 596 HZ2 LYS 74 1HZ LYS 74 -7.253 11.656 -7.635 597 HZ3 LYS 74 2HZ LYS 74 -7.745 10.352 -8.572 598 H SER 75 H SER 75 -8.012 5.768 -2.557 599 HA SER 75 HA SER 75 -8.832 6.692 -0.123 600 HB2 SER 75 2HB SER 75 -9.248 4.155 -1.653 601 HB3 SER 75 1HB SER 75 -10.211 4.688 -0.280 602 HG SER 75 HG SER 75 -10.099 6.726 -1.870 603 H PHE 76 H PHE 76 -6.832 3.948 -1.077 604 HA PHE 76 HA PHE 76 -6.558 2.704 1.383 605 HB2 PHE 76 2HB PHE 76 -5.828 1.637 -0.659 606 HB3 PHE 76 1HB PHE 76 -4.584 2.858 -0.889 607 HD1 PHE 76 HD2 PHE 76 -5.665 0.139 1.374 608 HD2 PHE 76 HD1 PHE 76 -2.455 2.605 0.066 609 HE1 PHE 76 HE2 PHE 76 -4.089 -1.240 2.655 610 HE2 PHE 76 HE1 PHE 76 -0.874 1.230 1.350 611 HZ PHE 76 HZ PHE 76 -1.702 -0.714 2.636 612 H ILE 77 H ILE 77 -4.501 5.183 -0.082 613 HA ILE 77 HA ILE 77 -2.621 5.259 2.004 614 HB ILE 77 HB ILE 77 -3.325 7.491 0.073 615 HG12 ILE 77 2HG1 ILE 77 -2.583 5.430 -1.047 616 HG13 ILE 77 1HG1 ILE 77 -1.389 6.709 -1.213 617 HG21 ILE 77 1HG2 ILE 77 -0.821 7.106 1.708 618 HG22 ILE 77 2HG2 ILE 77 -2.096 8.241 2.106 619 HG23 ILE 77 3HG2 ILE 77 -1.166 8.448 0.609 620 HD11 ILE 77 3HD1 ILE 77 -0.062 5.670 0.583 621 HD12 ILE 77 1HD1 ILE 77 -0.311 4.586 -0.787 622 HD13 ILE 77 2HD1 ILE 77 -1.247 4.369 0.688 623 H ASN 78 H ASN 78 -5.646 6.920 1.600 624 HA ASN 78 HA ASN 78 -5.510 8.738 3.719 625 HB2 ASN 78 2HB ASN 78 -7.361 8.905 2.231 626 HB3 ASN 78 1HB ASN 78 -7.850 7.240 2.520 627 HD21 ASN 78 1HD2 ASN 78 -9.081 6.766 4.338 628 HD22 ASN 78 2HD2 ASN 78 -9.776 7.993 5.325 629 H ASP 79 H ASP 79 -6.613 5.429 3.627 630 HA ASP 79 HA ASP 79 -7.192 5.259 6.409 631 HB2 ASP 79 2HB ASP 79 -6.876 3.067 4.329 632 HB3 ASP 79 1HB ASP 79 -7.367 2.850 5.998 633 H LEU 80 H LEU 80 -4.560 4.273 4.379 634 HA LEU 80 HA LEU 80 -2.875 2.824 6.017 635 HB2 LEU 80 2HB LEU 80 -2.670 3.390 3.572 636 HB3 LEU 80 1HB LEU 80 -2.351 4.979 4.115 637 HG LEU 80 HG LEU 80 -0.374 3.766 3.165 638 HD11 LEU 80 1HD1 LEU 80 0.061 5.698 4.526 639 HD12 LEU 80 2HD1 LEU 80 1.279 4.453 4.809 640 HD13 LEU 80 3HD1 LEU 80 -0.007 4.712 5.987 641 HD21 LEU 80 3HD2 LEU 80 -0.884 1.650 4.023 642 HD22 LEU 80 1HD2 LEU 80 -0.665 2.239 5.666 643 HD23 LEU 80 2HD2 LEU 80 0.736 2.148 4.572 644 H CYS 81 H CYS 81 -2.872 6.337 5.551 645 HA CYS 81 HA CYS 81 -0.958 6.883 7.577 646 HB2 CYS 81 2HB CYS 81 -3.074 8.732 6.489 647 HB3 CYS 81 1HB CYS 81 -1.593 9.216 7.308 648 HG CYS 81 HG CYS 81 -2.008 7.946 4.207 649 H PHE 82 H PHE 82 -4.460 6.807 7.550 650 HA PHE 82 HA PHE 82 -4.935 7.942 10.084 651 HB2 PHE 82 2HB PHE 82 -6.631 7.723 8.267 652 HB3 PHE 82 1HB PHE 82 -6.604 6.002 8.508 653 HD1 PHE 82 HD2 PHE 82 -7.307 9.138 10.388 654 HD2 PHE 82 HD1 PHE 82 -8.057 4.973 9.955 655 HE1 PHE 82 HE2 PHE 82 -9.058 9.270 12.116 656 HE2 PHE 82 HE1 PHE 82 -9.796 5.100 11.676 657 HZ PHE 82 HZ PHE 82 -10.299 7.253 12.760 658 H GLU 83 H GLU 83 -4.747 4.590 9.004 659 HA GLU 83 HA GLU 83 -5.374 3.593 11.614 660 HB2 GLU 83 2HB GLU 83 -4.571 2.052 9.147 661 HB3 GLU 83 1HB GLU 83 -5.294 1.381 10.600 662 HG2 GLU 83 2HG GLU 83 -7.257 2.954 10.122 663 HG3 GLU 83 1HG GLU 83 -6.543 3.169 8.545 664 H LEU 84 H LEU 84 -2.460 4.373 10.009 665 HA LEU 84 HA LEU 84 -0.952 2.630 11.828 666 HB2 LEU 84 2HB LEU 84 -0.005 4.182 9.439 667 HB3 LEU 84 1HB LEU 84 1.014 3.200 10.465 668 HG LEU 84 HG LEU 84 -1.237 2.187 8.734 669 HD11 LEU 84 1HD1 LEU 84 1.757 2.018 8.440 670 HD12 LEU 84 2HD1 LEU 84 0.660 2.956 7.444 671 HD13 LEU 84 3HD1 LEU 84 0.583 1.192 7.417 672 HD21 LEU 84 3HD2 LEU 84 -0.373 -0.044 9.311 673 HD22 LEU 84 1HD2 LEU 84 -0.959 0.807 10.738 674 HD23 LEU 84 2HD2 LEU 84 0.772 0.692 10.430 675 H ASP 85 H ASP 85 -1.382 6.056 11.006 676 HA ASP 85 HA ASP 85 0.233 6.698 13.310 677 HB2 ASP 85 2HB ASP 85 1.483 6.721 11.023 678 HB3 ASP 85 1HB ASP 85 0.536 8.161 10.684 679 H VAL 86 H VAL 86 0.016 9.537 12.512 680 HA VAL 86 HA VAL 86 -2.860 9.935 12.890 681 HB VAL 86 HB VAL 86 -2.285 12.174 13.738 682 HG11 VAL 86 1HG1 VAL 86 -0.660 10.025 15.069 683 HG12 VAL 86 2HG1 VAL 86 -2.370 10.361 15.336 684 HG13 VAL 86 3HG1 VAL 86 -1.155 11.549 15.809 685 HG21 VAL 86 3HG2 VAL 86 -0.303 12.639 12.410 686 HG22 VAL 86 1HG2 VAL 86 0.584 11.369 13.257 687 HG23 VAL 86 2HG2 VAL 86 0.072 12.810 14.128 688 HA PRO 87 HA PRO 87 -2.954 11.780 8.868 689 HB2 PRO 87 2HB PRO 87 -4.396 14.187 9.722 690 HB3 PRO 87 1HB PRO 87 -4.963 12.856 8.707 691 HG2 PRO 87 2HG PRO 87 -5.879 13.244 11.228 692 HG3 PRO 87 1HG PRO 87 -5.719 11.633 10.509 693 HD2 PRO 87 2HD PRO 87 -3.904 13.032 12.434 694 HD3 PRO 87 1HD PRO 87 -4.433 11.335 12.412 695 H LEU 88 H LEU 88 -0.629 12.205 8.944 696 HA LEU 88 HA LEU 88 0.236 14.755 9.657 697 HB2 LEU 88 2HB LEU 88 2.388 14.032 8.786 698 HB3 LEU 88 1HB LEU 88 1.694 12.987 9.988 699 HG LEU 88 HG LEU 88 2.781 11.717 8.589 700 HD11 LEU 88 1HD1 LEU 88 0.794 10.575 9.075 701 HD12 LEU 88 2HD1 LEU 88 1.355 10.115 7.480 702 HD13 LEU 88 3HD1 LEU 88 -0.001 11.230 7.635 703 HD21 LEU 88 3HD2 LEU 88 2.573 11.563 6.104 704 HD22 LEU 88 1HD2 LEU 88 3.295 13.044 6.733 705 HD23 LEU 88 2HD2 LEU 88 1.615 13.044 6.200 706 H ASP 89 H ASP 89 -1.267 13.526 7.000 707 HA ASP 89 HA ASP 89 -1.874 14.219 5.017 708 HB2 ASP 89 2HB ASP 89 -3.098 15.858 6.266 709 HB3 ASP 89 1HB ASP 89 -1.716 16.948 6.273 710 H MET 90 H MET 90 -0.193 13.417 3.986 711 HA MET 90 HA MET 90 0.648 15.272 1.977 712 HB2 MET 90 2HB MET 90 2.991 14.612 1.907 713 HB3 MET 90 1HB MET 90 2.670 15.201 3.525 714 HG2 MET 90 2HG MET 90 2.571 12.911 4.346 715 HG3 MET 90 1HG MET 90 2.824 12.307 2.712 716 HE1 MET 90 3HE MET 90 4.966 14.444 1.603 717 HE2 MET 90 1HE MET 90 5.053 12.707 1.321 718 HE3 MET 90 2HE MET 90 6.456 13.574 1.941 719 H GLU 91 H GLU 91 -1.238 13.530 2.394 720 HA GLU 91 HA GLU 91 -0.927 10.827 1.813 721 HB2 GLU 91 2HB GLU 91 -2.772 11.920 2.995 722 HB3 GLU 91 1HB GLU 91 -3.244 12.703 1.509 723 HG2 GLU 91 2HG GLU 91 -3.796 10.524 0.557 724 HG3 GLU 91 1HG GLU 91 -3.352 9.770 2.099 725 H ILE 92 H ILE 92 -1.940 13.551 -0.316 726 HA ILE 92 HA ILE 92 -2.426 11.954 -2.644 727 HB ILE 92 HB ILE 92 -1.786 14.908 -2.286 728 HG12 ILE 92 2HG1 ILE 92 -3.865 14.285 -1.202 729 HG13 ILE 92 1HG1 ILE 92 -4.191 15.283 -2.614 730 HG21 ILE 92 1HG2 ILE 92 -2.735 13.492 -4.731 731 HG22 ILE 92 2HG2 ILE 92 -1.202 14.346 -4.464 732 HG23 ILE 92 3HG2 ILE 92 -2.730 15.248 -4.506 733 HD11 ILE 92 3HD1 ILE 92 -4.510 12.303 -2.393 734 HD12 ILE 92 1HD1 ILE 92 -4.749 13.244 -3.869 735 HD13 ILE 92 2HD1 ILE 92 -5.782 13.523 -2.473 736 HA PRO 93 HA PRO 93 2.279 13.124 -3.853 737 HB2 PRO 93 2HB PRO 93 3.054 12.814 -0.969 738 HB3 PRO 93 1HB PRO 93 3.908 13.676 -2.259 739 HG2 PRO 93 2HG PRO 93 2.447 15.060 -0.528 740 HG3 PRO 93 1HG PRO 93 2.371 15.441 -2.258 741 HD2 PRO 93 2HD PRO 93 0.350 14.084 -0.575 742 HD3 PRO 93 1HD PRO 93 0.173 15.125 -1.996 743 H LEU 94 H LEU 94 1.232 11.089 -1.123 744 HA LEU 94 HA LEU 94 2.713 8.768 -1.943 745 HB2 LEU 94 2HB LEU 94 0.595 9.310 0.090 746 HB3 LEU 94 1HB LEU 94 0.967 7.655 -0.325 747 HG LEU 94 HG LEU 94 1.964 8.362 1.736 748 HD11 LEU 94 1HD1 LEU 94 4.315 7.685 1.275 749 HD12 LEU 94 2HD1 LEU 94 4.003 7.886 -0.450 750 HD13 LEU 94 3HD1 LEU 94 3.129 6.663 0.469 751 HD21 LEU 94 3HD2 LEU 94 3.851 9.988 1.771 752 HD22 LEU 94 1HD2 LEU 94 2.284 10.705 1.381 753 HD23 LEU 94 2HD2 LEU 94 3.447 10.402 0.100 754 H VAL 95 H VAL 95 -0.637 9.962 -2.455 755 HA VAL 95 HA VAL 95 -1.622 7.589 -3.467 756 HB VAL 95 HB VAL 95 -3.445 8.655 -3.940 757 HG11 VAL 95 1HG1 VAL 95 -2.576 10.206 -1.675 758 HG12 VAL 95 2HG1 VAL 95 -3.437 8.679 -1.766 759 HG13 VAL 95 3HG1 VAL 95 -4.228 10.164 -2.299 760 HG21 VAL 95 3HG2 VAL 95 -2.152 11.258 -4.559 761 HG22 VAL 95 1HG2 VAL 95 -3.909 11.075 -4.346 762 HG23 VAL 95 2HG2 VAL 95 -3.077 10.162 -5.594 763 H SER 96 H SER 96 0.019 10.142 -4.726 764 HA SER 96 HA SER 96 -0.304 9.679 -7.554 765 HB2 SER 96 2HB SER 96 0.013 11.856 -6.504 766 HB3 SER 96 1HB SER 96 1.646 11.399 -6.072 767 HG SER 96 HG SER 96 1.857 10.912 -8.417 768 H ILE 97 H ILE 97 1.333 7.959 -5.407 769 HA ILE 97 HA ILE 97 4.005 8.023 -6.215 770 HB ILE 97 HB ILE 97 2.952 7.150 -4.045 771 HG12 ILE 97 2HG1 ILE 97 5.164 5.489 -5.207 772 HG13 ILE 97 1HG1 ILE 97 5.392 7.143 -4.633 773 HG21 ILE 97 1HG2 ILE 97 2.910 4.613 -5.673 774 HG22 ILE 97 2HG2 ILE 97 1.518 5.440 -4.971 775 HG23 ILE 97 3HG2 ILE 97 2.728 4.701 -3.923 776 HD11 ILE 97 3HD1 ILE 97 6.043 5.543 -2.958 777 HD12 ILE 97 1HD1 ILE 97 4.433 4.817 -2.991 778 HD13 ILE 97 2HD1 ILE 97 4.645 6.474 -2.422 779 H TRP 98 H TRP 98 1.384 6.218 -7.621 780 HA TRP 98 HA TRP 98 3.286 4.579 -9.158 781 HB2 TRP 98 2HB TRP 98 0.283 4.422 -9.030 782 HB3 TRP 98 1HB TRP 98 1.314 3.366 -9.972 783 HD1 TRP 98 HD1 TRP 98 -0.276 3.720 -6.656 784 HE1 TRP 98 HE1 TRP 98 0.447 1.811 -5.120 785 HE3 TRP 98 HE3 TRP 98 3.606 1.884 -9.414 786 HZ2 TRP 98 HZ2 TRP 98 2.399 -0.204 -5.056 787 HZ3 TRP 98 HZ3 TRP 98 4.852 -0.041 -8.533 788 HH2 TRP 98 HH2 TRP 98 4.255 -1.061 -6.396 789 H GLY 99 H GLY 99 1.288 7.314 -9.450 790 HA2 GLY 99 2HA GLY 99 1.233 8.724 -11.370 791 HA3 GLY 99 1HA GLY 99 1.635 7.317 -12.362 792 HA PRO 100 HA PRO 100 -2.966 6.733 -10.904 793 HB2 PRO 100 2HB PRO 100 -3.788 9.504 -10.316 794 HB3 PRO 100 1HB PRO 100 -4.067 8.040 -9.373 795 HG2 PRO 100 2HG PRO 100 -2.342 9.854 -8.533 796 HG3 PRO 100 1HG PRO 100 -1.969 8.128 -8.384 797 HD2 PRO 100 2HD PRO 100 -1.026 10.068 -10.482 798 HD3 PRO 100 1HD PRO 100 -0.076 8.898 -9.537 799 H ARG 101 H ARG 101 -3.717 6.283 -12.929 800 HA ARG 101 HA ARG 101 -5.147 8.308 -14.280 801 HB2 ARG 101 2HB ARG 101 -2.860 8.403 -15.241 802 HB3 ARG 101 1HB ARG 101 -2.969 6.675 -15.554 803 HG2 ARG 101 2HG ARG 101 -4.908 7.080 -16.918 804 HG3 ARG 101 1HG ARG 101 -4.655 8.823 -16.739 805 HD2 ARG 101 2HD ARG 101 -3.606 8.154 -18.811 806 HD3 ARG 101 1HD ARG 101 -2.358 8.500 -17.601 807 HE ARG 101 HE ARG 101 -3.054 5.754 -17.620 808 HH11 ARG 101 1HH1 ARG 101 -1.080 8.156 -19.300 809 HH12 ARG 101 2HH1 ARG 101 -0.033 7.028 -20.021 810 HH21 ARG 101 1HH2 ARG 101 -1.561 4.162 -18.568 811 HH22 ARG 101 2HH2 ARG 101 -0.319 4.688 -19.580 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 -8.558 19.881 3.689 2 H2 GLY 1 2H GLY 1 -7.274 19.066 4.415 3 H3 GLY 1 3H GLY 1 -7.567 18.921 2.752 4 HA2 GLY 1 1HA GLY 1 -6.803 21.418 4.111 5 HA3 GLY 1 2HA GLY 1 -5.723 20.421 3.134 6 HA PRO 2 HA PRO 2 -7.845 23.680 0.496 7 HB2 PRO 2 2HB PRO 2 -5.112 23.948 -0.612 8 HB3 PRO 2 1HB PRO 2 -6.225 25.204 -0.065 9 HG2 PRO 2 2HG PRO 2 -4.064 24.565 1.378 10 HG3 PRO 2 1HG PRO 2 -5.601 24.985 2.156 11 HD2 PRO 2 2HD PRO 2 -4.388 22.281 1.696 12 HD3 PRO 2 1HD PRO 2 -5.215 22.912 3.136 13 H LEU 3 H LEU 3 -5.220 21.498 -0.507 14 HA LEU 3 HA LEU 3 -6.166 21.190 -3.168 15 HB2 LEU 3 2HB LEU 3 -3.831 20.865 -2.531 16 HB3 LEU 3 1HB LEU 3 -4.290 19.450 -1.601 17 HG LEU 3 HG LEU 3 -4.983 18.316 -3.669 18 HD11 LEU 3 1HD1 LEU 3 -3.971 20.813 -5.035 19 HD12 LEU 3 2HD1 LEU 3 -5.642 20.235 -5.011 20 HD13 LEU 3 3HD1 LEU 3 -4.400 19.307 -5.841 21 HD21 LEU 3 3HD2 LEU 3 -2.739 18.081 -2.833 22 HD22 LEU 3 1HD2 LEU 3 -2.265 19.522 -3.735 23 HD23 LEU 3 2HD2 LEU 3 -2.761 18.063 -4.610 24 H GLY 4 H GLY 4 -8.183 20.490 -3.312 25 HA2 GLY 4 2HA GLY 4 -9.031 18.111 -1.845 26 HA3 GLY 4 1HA GLY 4 -10.066 19.170 -2.802 27 H SER 5 H SER 5 -7.939 19.087 -4.921 28 HA SER 5 HA SER 5 -9.066 17.095 -6.530 29 HB2 SER 5 2HB SER 5 -6.446 18.565 -6.873 30 HB3 SER 5 1HB SER 5 -7.352 17.733 -8.139 31 HG SER 5 HG SER 5 -7.805 20.182 -6.928 32 H MET 6 H MET 6 -8.752 14.976 -6.338 33 HA MET 6 HA MET 6 -6.359 13.973 -5.071 34 HB2 MET 6 2HB MET 6 -7.331 11.865 -5.121 35 HB3 MET 6 1HB MET 6 -8.417 13.016 -4.342 36 HG2 MET 6 2HG MET 6 -8.646 11.873 -7.110 37 HG3 MET 6 1HG MET 6 -9.399 11.415 -5.569 38 HE1 MET 6 3HE MET 6 -10.789 12.317 -8.528 39 HE2 MET 6 1HE MET 6 -12.252 13.083 -7.916 40 HE3 MET 6 2HE MET 6 -11.695 11.559 -7.220 41 H ASP 7 H ASP 7 -7.141 14.875 -7.961 42 HA ASP 7 HA ASP 7 -5.470 12.881 -9.380 43 HB2 ASP 7 2HB ASP 7 -7.419 14.926 -10.438 44 HB3 ASP 7 1HB ASP 7 -6.322 13.990 -11.446 45 H ALA 8 H ALA 8 -4.600 15.105 -7.617 46 HA ALA 8 HA ALA 8 -3.078 16.816 -9.381 47 HB1 ALA 8 3HB ALA 8 -1.967 17.569 -7.330 48 HB2 ALA 8 1HB ALA 8 -2.742 16.265 -6.430 49 HB3 ALA 8 2HB ALA 8 -3.721 17.557 -7.120 50 H GLU 9 H GLU 9 -2.873 13.732 -8.284 51 HA GLU 9 HA GLU 9 -0.201 13.181 -7.867 52 HB2 GLU 9 2HB GLU 9 -1.040 10.784 -8.719 53 HB3 GLU 9 1HB GLU 9 -1.382 11.442 -7.128 54 HG2 GLU 9 2HG GLU 9 -3.411 10.550 -7.904 55 HG3 GLU 9 1HG GLU 9 -3.560 12.282 -8.066 56 H SER 10 H SER 10 -1.899 13.082 -10.896 57 HA SER 10 HA SER 10 0.036 12.085 -12.604 58 HB2 SER 10 2HB SER 10 -2.370 12.596 -13.130 59 HB3 SER 10 1HB SER 10 -1.952 14.300 -13.089 60 HG SER 10 HG SER 10 -0.567 12.568 -14.871 61 H ILE 11 H ILE 11 -0.486 15.340 -11.433 62 HA ILE 11 HA ILE 11 1.613 16.498 -12.951 63 HB ILE 11 HB ILE 11 -0.130 17.684 -10.796 64 HG12 ILE 11 2HG1 ILE 11 -1.351 18.460 -13.061 65 HG13 ILE 11 1HG1 ILE 11 -0.748 16.908 -13.600 66 HG21 ILE 11 1HG2 ILE 11 1.308 18.914 -13.153 67 HG22 ILE 11 2HG2 ILE 11 1.783 19.051 -11.460 68 HG23 ILE 11 3HG2 ILE 11 0.275 19.777 -12.013 69 HD11 ILE 11 3HD1 ILE 11 -2.023 15.870 -11.694 70 HD12 ILE 11 1HD1 ILE 11 -3.022 16.753 -12.846 71 HD13 ILE 11 2HD1 ILE 11 -2.601 17.476 -11.306 72 H ARG 12 H ARG 12 0.972 15.562 -9.641 73 HA ARG 12 HA ARG 12 3.141 16.929 -8.432 74 HB2 ARG 12 2HB ARG 12 1.232 14.846 -7.512 75 HB3 ARG 12 1HB ARG 12 2.582 15.329 -6.503 76 HG2 ARG 12 2HG ARG 12 0.546 17.243 -7.603 77 HG3 ARG 12 1HG ARG 12 0.407 16.462 -6.028 78 HD2 ARG 12 2HD ARG 12 2.639 17.415 -5.457 79 HD3 ARG 12 1HD ARG 12 2.583 18.342 -6.957 80 HE ARG 12 HE ARG 12 0.388 19.195 -5.943 81 HH11 ARG 12 1HH1 ARG 12 3.363 18.525 -4.144 82 HH12 ARG 12 2HH1 ARG 12 2.987 19.555 -2.842 83 HH21 ARG 12 1HH2 ARG 12 -0.132 20.605 -4.145 84 HH22 ARG 12 2HH2 ARG 12 0.950 20.761 -2.844 85 H LEU 13 H LEU 13 2.709 13.486 -9.316 86 HA LEU 13 HA LEU 13 4.042 11.712 -9.232 87 HB2 LEU 13 2HB LEU 13 5.873 13.928 -9.699 88 HB3 LEU 13 1HB LEU 13 6.642 12.351 -9.456 89 HG LEU 13 HG LEU 13 6.590 12.726 -11.793 90 HD11 LEU 13 1HD1 LEU 13 5.816 10.524 -11.284 91 HD12 LEU 13 2HD1 LEU 13 5.036 11.135 -12.741 92 HD13 LEU 13 3HD1 LEU 13 4.150 11.096 -11.218 93 HD21 LEU 13 3HD2 LEU 13 3.734 13.652 -11.542 94 HD22 LEU 13 1HD2 LEU 13 4.640 13.509 -13.049 95 HD23 LEU 13 2HD2 LEU 13 5.143 14.673 -11.821 96 H ASN 14 H ASN 14 6.521 11.171 -7.980 97 HA ASN 14 HA ASN 14 6.077 12.041 -5.219 98 HB2 ASN 14 2HB ASN 14 6.185 9.777 -4.334 99 HB3 ASN 14 1HB ASN 14 4.852 9.902 -5.475 100 HD21 ASN 14 1HD2 ASN 14 4.965 8.787 -7.383 101 HD22 ASN 14 2HD2 ASN 14 6.123 7.553 -7.690 102 H ASN 15 H ASN 15 7.837 10.861 -3.826 103 HA ASN 15 HA ASN 15 10.444 11.286 -5.126 104 HB2 ASN 15 2HB ASN 15 9.815 12.984 -3.390 105 HB3 ASN 15 1HB ASN 15 9.608 11.693 -2.225 106 HD21 ASN 15 1HD2 ASN 15 11.327 14.032 -2.130 107 HD22 ASN 15 2HD2 ASN 15 12.928 13.429 -1.920 108 H GLU 16 H GLU 16 12.041 9.725 -4.655 109 HA GLU 16 HA GLU 16 11.155 7.078 -4.243 110 HB2 GLU 16 2HB GLU 16 13.145 7.754 -5.611 111 HB3 GLU 16 1HB GLU 16 13.972 8.143 -4.109 112 HG2 GLU 16 2HG GLU 16 13.952 5.845 -3.427 113 HG3 GLU 16 1HG GLU 16 12.956 5.402 -4.810 114 H ASN 17 H ASN 17 12.437 9.518 -2.110 115 HA ASN 17 HA ASN 17 13.138 7.969 0.146 116 HB2 ASN 17 2HB ASN 17 11.983 10.764 -0.033 117 HB3 ASN 17 1HB ASN 17 12.456 10.029 1.480 118 HD21 ASN 17 1HD2 ASN 17 14.416 9.414 -1.350 119 HD22 ASN 17 2HD2 ASN 17 15.708 10.437 -0.890 120 H LEU 18 H LEU 18 10.160 9.266 -1.030 121 HA LEU 18 HA LEU 18 8.501 8.634 1.192 122 HB2 LEU 18 2HB LEU 18 8.252 10.479 -0.550 123 HB3 LEU 18 1HB LEU 18 7.752 9.244 -1.666 124 HG LEU 18 HG LEU 18 6.219 9.790 0.875 125 HD11 LEU 18 1HD1 LEU 18 6.460 11.847 -0.420 126 HD12 LEU 18 2HD1 LEU 18 4.799 11.225 -0.451 127 HD13 LEU 18 3HD1 LEU 18 5.857 11.007 -1.852 128 HD21 LEU 18 3HD2 LEU 18 4.378 8.892 -0.461 129 HD22 LEU 18 1HD2 LEU 18 5.694 7.713 -0.271 130 HD23 LEU 18 2HD2 LEU 18 5.500 8.614 -1.788 131 H TRP 19 H TRP 19 9.244 7.138 -1.916 132 HA TRP 19 HA TRP 19 7.482 4.941 -1.772 133 HB2 TRP 19 2HB TRP 19 8.615 5.437 -3.865 134 HB3 TRP 19 1HB TRP 19 10.183 5.236 -3.108 135 HD1 TRP 19 HD1 TRP 19 11.301 2.968 -3.500 136 HE1 TRP 19 HE1 TRP 19 10.549 0.646 -4.320 137 HE3 TRP 19 HE3 TRP 19 6.269 3.752 -3.725 138 HZ2 TRP 19 HZ2 TRP 19 8.139 -0.681 -4.969 139 HZ3 TRP 19 HZ3 TRP 19 4.811 1.907 -4.449 140 HH2 TRP 19 HH2 TRP 19 5.734 -0.263 -5.055 141 H ALA 20 H ALA 20 10.864 5.219 -0.787 142 HA ALA 20 HA ALA 20 11.081 2.659 0.312 143 HB1 ALA 20 3HB ALA 20 13.024 4.041 -0.221 144 HB2 ALA 20 1HB ALA 20 13.066 3.497 1.455 145 HB3 ALA 20 2HB ALA 20 12.589 5.156 1.074 146 H TRP 21 H TRP 21 10.026 5.716 1.707 147 HA TRP 21 HA TRP 21 9.803 4.879 4.369 148 HB2 TRP 21 2HB TRP 21 9.692 7.215 3.990 149 HB3 TRP 21 1HB TRP 21 8.445 7.042 2.765 150 HD1 TRP 21 HD1 TRP 21 6.138 7.758 3.557 151 HE1 TRP 21 HE1 TRP 21 4.912 7.920 5.794 152 HE3 TRP 21 HE3 TRP 21 9.787 5.886 6.615 153 HZ2 TRP 21 HZ2 TRP 21 5.403 7.313 8.512 154 HZ3 TRP 21 HZ3 TRP 21 9.319 5.707 9.016 155 HH2 TRP 21 HH2 TRP 21 7.166 6.407 9.942 156 H LEU 22 H LEU 22 7.365 4.941 1.789 157 HA LEU 22 HA LEU 22 5.259 3.882 3.302 158 HB2 LEU 22 2HB LEU 22 5.063 5.059 1.089 159 HB3 LEU 22 1HB LEU 22 5.717 3.645 0.311 160 HG LEU 22 HG LEU 22 3.240 3.960 0.053 161 HD11 LEU 22 1HD1 LEU 22 4.159 1.762 -0.310 162 HD12 LEU 22 2HD1 LEU 22 2.578 1.651 0.465 163 HD13 LEU 22 3HD1 LEU 22 4.046 1.406 1.414 164 HD21 LEU 22 3HD2 LEU 22 3.157 3.279 2.988 165 HD22 LEU 22 1HD2 LEU 22 1.762 3.422 1.921 166 HD23 LEU 22 2HD2 LEU 22 2.754 4.838 2.278 167 H VAL 23 H VAL 23 7.562 2.290 1.140 168 HA VAL 23 HA VAL 23 6.609 -0.312 1.472 169 HB VAL 23 HB VAL 23 9.346 0.710 0.663 170 HG11 VAL 23 1HG1 VAL 23 8.308 -2.122 0.491 171 HG12 VAL 23 2HG1 VAL 23 9.578 -1.548 1.577 172 HG13 VAL 23 3HG1 VAL 23 9.835 -1.521 -0.169 173 HG21 VAL 23 3HG2 VAL 23 8.614 0.066 -1.577 174 HG22 VAL 23 1HG2 VAL 23 7.525 1.248 -0.852 175 HG23 VAL 23 2HG2 VAL 23 7.060 -0.453 -0.921 176 H ARG 24 H ARG 24 9.141 1.435 3.240 177 HA ARG 24 HA ARG 24 9.972 -0.813 4.755 178 HB2 ARG 24 2HB ARG 24 11.445 1.068 4.331 179 HB3 ARG 24 1HB ARG 24 10.373 2.136 5.212 180 HG2 ARG 24 2HG ARG 24 10.882 1.004 7.280 181 HG3 ARG 24 1HG ARG 24 11.876 -0.176 6.421 182 HD2 ARG 24 2HD ARG 24 13.361 1.596 5.677 183 HD3 ARG 24 1HD ARG 24 12.370 2.793 6.507 184 HE ARG 24 HE ARG 24 13.091 0.951 8.395 185 HH11 ARG 24 1HH1 ARG 24 14.839 3.121 6.218 186 HH12 ARG 24 2HH1 ARG 24 16.115 3.431 7.299 187 HH21 ARG 24 1HH2 ARG 24 14.847 1.337 9.887 188 HH22 ARG 24 2HH2 ARG 24 16.132 2.360 9.443 189 H LEU 25 H LEU 25 7.754 1.843 5.391 190 HA LEU 25 HA LEU 25 7.364 1.221 8.134 191 HB2 LEU 25 2HB LEU 25 6.969 3.418 6.880 192 HB3 LEU 25 1HB LEU 25 5.505 2.711 6.270 193 HG LEU 25 HG LEU 25 5.130 4.323 8.142 194 HD11 LEU 25 1HD1 LEU 25 4.346 1.532 8.802 195 HD12 LEU 25 2HD1 LEU 25 3.499 2.651 7.722 196 HD13 LEU 25 3HD1 LEU 25 3.638 3.019 9.450 197 HD21 LEU 25 3HD2 LEU 25 5.722 3.751 10.394 198 HD22 LEU 25 1HD2 LEU 25 7.174 3.836 9.399 199 HD23 LEU 25 2HD2 LEU 25 6.491 2.266 9.851 200 H LEU 26 H LEU 26 5.531 0.405 5.172 201 HA LEU 26 HA LEU 26 3.550 -1.137 6.501 202 HB2 LEU 26 2HB LEU 26 4.503 -1.114 3.683 203 HB3 LEU 26 1HB LEU 26 3.085 -1.960 4.279 204 HG LEU 26 HG LEU 26 3.446 0.903 3.680 205 HD11 LEU 26 1HD1 LEU 26 1.300 -0.947 4.110 206 HD12 LEU 26 2HD1 LEU 26 2.053 -0.651 2.503 207 HD13 LEU 26 3HD1 LEU 26 1.046 0.618 3.315 208 HD21 LEU 26 3HD2 LEU 26 1.741 0.076 6.038 209 HD22 LEU 26 1HD2 LEU 26 1.848 1.683 5.324 210 HD23 LEU 26 2HD2 LEU 26 3.240 0.998 6.158 211 H SER 27 H SER 27 6.802 -1.803 5.457 212 HA SER 27 HA SER 27 6.600 -4.626 5.431 213 HB2 SER 27 2HB SER 27 8.404 -3.312 4.295 214 HB3 SER 27 1HB SER 27 9.000 -2.810 5.869 215 HG SER 27 HG SER 27 9.243 -5.201 4.515 216 H LYS 28 H LYS 28 6.506 -2.269 7.901 217 HA LYS 28 HA LYS 28 7.453 -4.124 9.894 218 HB2 LYS 28 2HB LYS 28 6.492 -1.341 10.377 219 HB3 LYS 28 1HB LYS 28 7.489 -2.349 11.420 220 HG2 LYS 28 2HG LYS 28 9.106 -2.301 9.362 221 HG3 LYS 28 1HG LYS 28 8.124 -0.964 8.936 222 HD2 LYS 28 2HD LYS 28 9.548 -1.194 11.555 223 HD3 LYS 28 1HD LYS 28 10.153 -0.269 10.184 224 HE2 LYS 28 2HE LYS 28 9.171 1.362 11.587 225 HE3 LYS 28 1HE LYS 28 7.954 1.053 10.355 226 HZ1 LYS 28 3HZ LYS 28 7.985 -0.007 13.132 227 HZ2 LYS 28 1HZ LYS 28 6.789 -0.401 12.016 228 HZ3 LYS 28 2HZ LYS 28 6.959 1.166 12.555 229 H ASN 29 H ASN 29 4.693 -3.360 8.265 230 HA ASN 29 HA ASN 29 2.892 -4.021 10.470 231 HB2 ASN 29 2HB ASN 29 2.612 -1.875 8.442 232 HB3 ASN 29 1HB ASN 29 1.319 -2.318 9.393 233 HD21 ASN 29 1HD2 ASN 29 2.938 0.095 9.265 234 HD22 ASN 29 2HD2 ASN 29 3.357 0.519 10.894 235 HA PRO 30 HA PRO 30 2.096 -6.024 6.177 236 HB2 PRO 30 2HB PRO 30 2.795 -8.634 7.279 237 HB3 PRO 30 1HB PRO 30 3.501 -7.819 5.884 238 HG2 PRO 30 2HG PRO 30 4.866 -8.228 8.204 239 HG3 PRO 30 1HG PRO 30 5.176 -6.856 7.129 240 HD2 PRO 30 2HD PRO 30 3.593 -6.948 9.676 241 HD3 PRO 30 1HD PRO 30 4.717 -5.711 9.103 242 H GLU 31 H GLU 31 1.592 -6.725 9.412 243 HA GLU 31 HA GLU 31 -0.623 -8.460 9.237 244 HB2 GLU 31 2HB GLU 31 0.425 -6.770 11.505 245 HB3 GLU 31 1HB GLU 31 -0.728 -8.093 11.655 246 HG2 GLU 31 2HG GLU 31 0.929 -9.675 10.844 247 HG3 GLU 31 1HG GLU 31 2.059 -8.361 10.551 248 H TRP 32 H TRP 32 -0.197 -4.886 9.605 249 HA TRP 32 HA TRP 32 -3.026 -4.494 9.749 250 HB2 TRP 32 2HB TRP 32 -1.626 -2.759 10.660 251 HB3 TRP 32 1HB TRP 32 -0.714 -2.625 9.157 252 HD1 TRP 32 HD1 TRP 32 -4.040 -1.581 10.740 253 HE1 TRP 32 HE1 TRP 32 -5.135 0.199 9.265 254 HE3 TRP 32 HE3 TRP 32 -0.834 -1.754 6.801 255 HZ2 TRP 32 HZ2 TRP 32 -4.662 1.460 6.703 256 HZ3 TRP 32 HZ3 TRP 32 -1.169 -0.332 4.927 257 HH2 TRP 32 HH2 TRP 32 -3.073 1.297 4.854 258 H LEU 33 H LEU 33 -0.553 -4.374 7.316 259 HA LEU 33 HA LEU 33 -1.954 -3.287 5.207 260 HB2 LEU 33 2HB LEU 33 0.417 -3.495 5.291 261 HB3 LEU 33 1HB LEU 33 0.318 -5.215 5.235 262 HG LEU 33 HG LEU 33 -0.579 -5.134 2.966 263 HD11 LEU 33 1HD1 LEU 33 -1.683 -2.972 3.030 264 HD12 LEU 33 2HD1 LEU 33 -0.523 -3.020 1.702 265 HD13 LEU 33 3HD1 LEU 33 -0.127 -2.158 3.188 266 HD21 LEU 33 3HD2 LEU 33 1.811 -5.374 3.316 267 HD22 LEU 33 1HD2 LEU 33 1.999 -3.622 3.337 268 HD23 LEU 33 2HD2 LEU 33 1.487 -4.437 1.859 269 H SER 34 H SER 34 -1.464 -6.669 5.947 270 HA SER 34 HA SER 34 -2.858 -7.779 3.791 271 HB2 SER 34 2HB SER 34 -2.675 -8.907 6.595 272 HB3 SER 34 1HB SER 34 -3.091 -9.826 5.148 273 HG SER 34 HG SER 34 -0.646 -8.570 5.806 274 H ALA 35 H ALA 35 -4.130 -6.540 6.829 275 HA ALA 35 HA ALA 35 -6.778 -7.469 6.507 276 HB1 ALA 35 3HB ALA 35 -5.828 -6.720 8.667 277 HB2 ALA 35 1HB ALA 35 -7.338 -5.897 8.271 278 HB3 ALA 35 2HB ALA 35 -5.796 -5.072 8.051 279 H LYS 36 H LYS 36 -5.107 -4.526 5.569 280 HA LYS 36 HA LYS 36 -7.505 -3.436 4.442 281 HB2 LYS 36 2HB LYS 36 -4.649 -2.402 4.260 282 HB3 LYS 36 1HB LYS 36 -6.041 -1.561 3.588 283 HG2 LYS 36 2HG LYS 36 -5.668 -2.301 6.448 284 HG3 LYS 36 1HG LYS 36 -5.345 -0.720 5.741 285 HD2 LYS 36 2HD LYS 36 -8.028 -2.008 5.446 286 HD3 LYS 36 1HD LYS 36 -7.639 -1.101 6.921 287 HE2 LYS 36 2HE LYS 36 -7.099 0.803 5.346 288 HE3 LYS 36 1HE LYS 36 -7.822 -0.175 4.068 289 HZ1 LYS 36 3HZ LYS 36 -9.875 -0.266 5.399 290 HZ2 LYS 36 1HZ LYS 36 -9.470 1.357 5.102 291 HZ3 LYS 36 2HZ LYS 36 -9.110 0.681 6.574 292 H LEU 37 H LEU 37 -4.752 -5.128 3.179 293 HA LEU 37 HA LEU 37 -5.289 -4.911 0.490 294 HB2 LEU 37 2HB LEU 37 -4.300 -7.349 1.969 295 HB3 LEU 37 1HB LEU 37 -4.310 -7.163 0.229 296 HG LEU 37 HG LEU 37 -2.675 -5.530 2.176 297 HD11 LEU 37 1HD1 LEU 37 -1.839 -7.644 0.198 298 HD12 LEU 37 2HD1 LEU 37 -1.892 -7.833 1.948 299 HD13 LEU 37 3HD1 LEU 37 -0.764 -6.691 1.220 300 HD21 LEU 37 3HD2 LEU 37 -1.573 -4.642 0.157 301 HD22 LEU 37 1HD2 LEU 37 -3.277 -4.196 0.237 302 HD23 LEU 37 2HD2 LEU 37 -2.754 -5.487 -0.842 303 H ARG 38 H ARG 38 -6.627 -7.273 2.786 304 HA ARG 38 HA ARG 38 -8.228 -8.564 0.823 305 HB2 ARG 38 2HB ARG 38 -9.419 -9.504 2.497 306 HB3 ARG 38 1HB ARG 38 -7.673 -9.616 2.904 307 HG2 ARG 38 2HG ARG 38 -8.206 -7.601 4.348 308 HG3 ARG 38 1HG ARG 38 -9.868 -8.044 3.827 309 HD2 ARG 38 2HD ARG 38 -9.695 -10.161 4.748 310 HD3 ARG 38 1HD ARG 38 -7.994 -9.897 5.144 311 HE ARG 38 HE ARG 38 -9.826 -8.029 6.361 312 HH11 ARG 38 1HH1 ARG 38 -8.103 -11.079 6.879 313 HH12 ARG 38 2HH1 ARG 38 -8.141 -10.966 8.575 314 HH21 ARG 38 1HH2 ARG 38 -9.871 -7.883 8.616 315 HH22 ARG 38 2HH2 ARG 38 -9.192 -9.109 9.599 316 H SER 39 H SER 39 -8.846 -5.797 2.766 317 HA SER 39 HA SER 39 -11.498 -5.704 2.401 318 HB2 SER 39 2HB SER 39 -9.343 -3.869 3.023 319 HB3 SER 39 1HB SER 39 -11.007 -3.321 3.073 320 HG SER 39 HG SER 39 -9.598 -5.097 4.763 321 H PHE 40 H PHE 40 -8.815 -4.791 0.471 322 HA PHE 40 HA PHE 40 -10.378 -3.299 -1.566 323 HB2 PHE 40 2HB PHE 40 -7.482 -3.685 -1.020 324 HB3 PHE 40 1HB PHE 40 -8.039 -2.949 -2.518 325 HD1 PHE 40 HD2 PHE 40 -9.815 -1.137 -2.190 326 HD2 PHE 40 HD1 PHE 40 -7.137 -2.228 0.883 327 HE1 PHE 40 HE2 PHE 40 -10.256 1.033 -1.045 328 HE2 PHE 40 HE1 PHE 40 -7.561 -0.113 2.035 329 HZ PHE 40 HZ PHE 40 -9.123 1.528 1.076 330 H LEU 41 H LEU 41 -8.257 -6.102 -1.330 331 HA LEU 41 HA LEU 41 -8.610 -6.916 -4.009 332 HB2 LEU 41 2HB LEU 41 -7.381 -8.102 -1.551 333 HB3 LEU 41 1HB LEU 41 -7.572 -9.048 -2.998 334 HG LEU 41 HG LEU 41 -6.146 -7.479 -4.209 335 HD11 LEU 41 1HD1 LEU 41 -6.594 -5.542 -3.085 336 HD12 LEU 41 2HD1 LEU 41 -4.839 -5.849 -3.075 337 HD13 LEU 41 3HD1 LEU 41 -5.825 -6.138 -1.612 338 HD21 LEU 41 3HD2 LEU 41 -4.026 -8.083 -3.003 339 HD22 LEU 41 1HD2 LEU 41 -5.123 -9.442 -3.286 340 HD23 LEU 41 2HD2 LEU 41 -5.039 -8.690 -1.701 341 HA PRO 42 HA PRO 42 -12.638 -8.711 -3.240 342 HB2 PRO 42 2HB PRO 42 -12.830 -10.066 -5.617 343 HB3 PRO 42 1HB PRO 42 -13.154 -8.340 -5.428 344 HG2 PRO 42 2HG PRO 42 -10.664 -9.695 -6.389 345 HG3 PRO 42 1HG PRO 42 -11.483 -8.266 -7.050 346 HD2 PRO 42 2HD PRO 42 -9.307 -8.035 -5.505 347 HD3 PRO 42 1HD PRO 42 -10.631 -6.867 -5.386 348 H THR 43 H THR 43 -9.918 -10.703 -4.356 349 HA THR 43 HA THR 43 -11.165 -13.022 -3.052 350 HB THR 43 HB THR 43 -9.631 -14.341 -4.602 351 HG1 THR 43 HG1 THR 43 -9.129 -12.969 -6.518 352 HG21 THR 43 3HG2 THR 43 -11.663 -12.483 -5.770 353 HG22 THR 43 1HG2 THR 43 -12.032 -14.016 -4.987 354 HG23 THR 43 2HG2 THR 43 -11.138 -14.006 -6.521 355 H MET 44 H MET 44 -8.917 -10.816 -2.669 356 HA MET 44 HA MET 44 -6.854 -10.546 -1.828 357 HB2 MET 44 2HB MET 44 -6.510 -11.431 0.557 358 HB3 MET 44 1HB MET 44 -7.765 -10.259 0.225 359 HG2 MET 44 2HG MET 44 -9.362 -11.633 0.540 360 HG3 MET 44 1HG MET 44 -8.468 -13.161 0.262 361 HE1 MET 44 3HE MET 44 -10.504 -13.015 2.640 362 HE2 MET 44 1HE MET 44 -9.551 -13.621 3.993 363 HE3 MET 44 2HE MET 44 -9.404 -14.372 2.404 364 H ASP 45 H ASP 45 -5.348 -11.340 -3.082 365 HA ASP 45 HA ASP 45 -4.432 -14.072 -2.554 366 HB2 ASP 45 2HB ASP 45 -4.894 -13.207 -4.942 367 HB3 ASP 45 1HB ASP 45 -3.448 -12.228 -4.743 368 H LEU 46 H LEU 46 -3.900 -12.834 -0.487 369 HA LEU 46 HA LEU 46 -1.421 -11.318 -0.655 370 HB2 LEU 46 2HB LEU 46 -1.870 -10.758 1.718 371 HB3 LEU 46 1HB LEU 46 -3.043 -10.159 0.563 372 HG LEU 46 HG LEU 46 -4.459 -12.218 1.262 373 HD11 LEU 46 1HD1 LEU 46 -2.622 -12.124 3.637 374 HD12 LEU 46 2HD1 LEU 46 -2.789 -13.448 2.485 375 HD13 LEU 46 3HD1 LEU 46 -4.139 -13.017 3.536 376 HD21 LEU 46 3HD2 LEU 46 -5.415 -10.996 3.155 377 HD22 LEU 46 1HD2 LEU 46 -5.082 -9.952 1.771 378 HD23 LEU 46 2HD2 LEU 46 -4.000 -9.939 3.162 379 H ASP 47 H ASP 47 -2.224 -14.425 -0.268 380 HA ASP 47 HA ASP 47 -0.459 -15.061 1.902 381 HB2 ASP 47 2HB ASP 47 -2.446 -16.367 1.767 382 HB3 ASP 47 1HB ASP 47 -2.175 -16.755 0.084 383 H CYS 48 H CYS 48 -0.152 -14.537 -1.285 384 HA CYS 48 HA CYS 48 2.063 -16.287 -1.810 385 HB2 CYS 48 2HB CYS 48 1.164 -13.836 -3.340 386 HB3 CYS 48 1HB CYS 48 2.363 -14.998 -3.898 387 HG CYS 48 HG CYS 48 -0.774 -15.013 -4.463 388 H SER 49 H SER 49 3.560 -15.950 -0.249 389 HA SER 49 HA SER 49 5.110 -13.530 -0.502 390 HB2 SER 49 2HB SER 49 3.473 -13.234 1.418 391 HB3 SER 49 1HB SER 49 4.258 -14.592 2.214 392 HG SER 49 HG SER 49 6.271 -13.212 1.944 393 H TYR 50 H TYR 50 6.260 -15.055 -1.697 394 HA TYR 50 HA TYR 50 7.471 -17.382 -0.758 395 HB2 TYR 50 2HB TYR 50 9.210 -16.529 -2.675 396 HB3 TYR 50 1HB TYR 50 7.723 -17.412 -3.013 397 HD1 TYR 50 HD1 TYR 50 9.078 -13.916 -2.705 398 HD2 TYR 50 HD2 TYR 50 6.088 -16.455 -4.349 399 HE1 TYR 50 HE1 TYR 50 8.227 -12.043 -4.046 400 HE2 TYR 50 HE2 TYR 50 5.239 -14.586 -5.687 401 HH TYR 50 HH TYR 50 6.920 -11.640 -6.058 402 H GLU 51 H GLU 51 8.311 -14.208 -0.402 403 HA GLU 51 HA GLU 51 10.694 -14.846 1.105 404 HB2 GLU 51 2HB GLU 51 9.826 -12.571 -0.617 405 HB3 GLU 51 1HB GLU 51 11.203 -12.496 0.445 406 HG2 GLU 51 2HG GLU 51 12.202 -14.369 -0.868 407 HG3 GLU 51 1HG GLU 51 10.822 -14.308 -1.949 408 HA PRO 52 HA PRO 52 8.373 -12.589 4.280 409 HB2 PRO 52 2HB PRO 52 10.276 -10.842 5.306 410 HB3 PRO 52 1HB PRO 52 10.113 -12.529 5.785 411 HG2 PRO 52 2HG PRO 52 12.048 -11.265 3.923 412 HG3 PRO 52 1HG PRO 52 12.274 -12.632 5.023 413 HD2 PRO 52 2HD PRO 52 11.949 -12.887 2.327 414 HD3 PRO 52 1HD PRO 52 11.495 -14.141 3.493 415 H SER 53 H SER 53 8.822 -9.830 5.057 416 HA SER 53 HA SER 53 7.183 -8.596 3.096 417 HB2 SER 53 2HB SER 53 8.364 -7.533 5.651 418 HB3 SER 53 1HB SER 53 7.014 -6.831 4.757 419 HG SER 53 HG SER 53 6.269 -9.229 4.988 420 H ASN 54 H ASN 54 9.662 -9.132 2.003 421 HA ASN 54 HA ASN 54 11.578 -7.178 1.824 422 HB2 ASN 54 2HB ASN 54 10.482 -9.272 0.034 423 HB3 ASN 54 1HB ASN 54 11.774 -8.269 -0.533 424 HD21 ASN 54 1HD2 ASN 54 13.199 -10.052 -0.650 425 HD22 ASN 54 2HD2 ASN 54 13.802 -10.828 0.769 426 HA PRO 55 HA PRO 55 9.911 -3.654 -0.324 427 HB2 PRO 55 2HB PRO 55 12.149 -4.122 -2.234 428 HB3 PRO 55 1HB PRO 55 11.674 -2.639 -1.399 429 HG2 PRO 55 2HG PRO 55 13.770 -4.109 -0.597 430 HG3 PRO 55 1HG PRO 55 12.743 -3.232 0.544 431 HD2 PRO 55 2HD PRO 55 12.904 -6.171 0.057 432 HD3 PRO 55 1HD PRO 55 12.377 -5.263 1.487 433 H GLU 56 H GLU 56 11.040 -6.240 -2.525 434 HA GLU 56 HA GLU 56 9.293 -5.407 -4.636 435 HB2 GLU 56 2HB GLU 56 10.936 -7.898 -4.253 436 HB3 GLU 56 1HB GLU 56 10.029 -7.534 -5.715 437 HG2 GLU 56 2HG GLU 56 11.367 -5.652 -6.191 438 HG3 GLU 56 1HG GLU 56 12.126 -5.702 -4.600 439 H VAL 57 H VAL 57 9.066 -7.538 -1.973 440 HA VAL 57 HA VAL 57 6.844 -9.012 -2.942 441 HB VAL 57 HB VAL 57 7.958 -8.660 -0.138 442 HG11 VAL 57 1HG1 VAL 57 5.903 -10.641 -1.117 443 HG12 VAL 57 2HG1 VAL 57 5.608 -9.289 -0.005 444 HG13 VAL 57 3HG1 VAL 57 6.671 -10.620 0.474 445 HG21 VAL 57 3HG2 VAL 57 8.878 -10.846 -0.429 446 HG22 VAL 57 1HG2 VAL 57 9.452 -9.787 -1.717 447 HG23 VAL 57 2HG2 VAL 57 8.181 -10.974 -2.048 448 H ILE 58 H ILE 58 7.347 -6.396 -0.670 449 HA ILE 58 HA ILE 58 4.707 -5.748 -0.049 450 HB ILE 58 HB ILE 58 7.183 -4.025 -0.212 451 HG12 ILE 58 2HG1 ILE 58 7.300 -5.767 1.477 452 HG13 ILE 58 1HG1 ILE 58 7.166 -4.183 2.223 453 HG21 ILE 58 1HG2 ILE 58 4.539 -3.269 0.990 454 HG22 ILE 58 2HG2 ILE 58 5.272 -2.567 -0.453 455 HG23 ILE 58 3HG2 ILE 58 6.033 -2.338 1.128 456 HD11 ILE 58 3HD1 ILE 58 5.815 -5.778 3.423 457 HD12 ILE 58 1HD1 ILE 58 4.948 -6.205 1.947 458 HD13 ILE 58 2HD1 ILE 58 4.781 -4.592 2.633 459 H HIS 59 H HIS 59 6.787 -4.699 -2.670 460 HA HIS 59 HA HIS 59 5.162 -2.767 -3.878 461 HB2 HIS 59 2HB HIS 59 7.580 -3.257 -4.460 462 HB3 HIS 59 1HB HIS 59 7.046 -4.709 -5.272 463 HD1 HIS 59 HD1 HIS 59 8.654 -2.292 -6.604 464 HD2 HIS 59 HD2 HIS 59 4.570 -2.979 -6.963 465 HE1 HIS 59 HE1 HIS 59 7.979 -1.213 -8.729 466 HE2 HIS 59 HE2 HIS 59 5.482 -1.413 -8.790 467 H ARG 60 H ARG 60 5.233 -6.268 -4.444 468 HA ARG 60 HA ARG 60 3.330 -6.375 -6.469 469 HB2 ARG 60 2HB ARG 60 4.757 -8.236 -5.904 470 HB3 ARG 60 1HB ARG 60 4.060 -8.332 -4.302 471 HG2 ARG 60 2HG ARG 60 1.980 -9.025 -5.143 472 HG3 ARG 60 1HG ARG 60 2.508 -8.797 -6.824 473 HD2 ARG 60 2HD ARG 60 4.201 -10.555 -6.485 474 HD3 ARG 60 1HD ARG 60 3.635 -10.771 -4.830 475 HE ARG 60 HE ARG 60 1.396 -11.125 -6.257 476 HH11 ARG 60 1HH1 ARG 60 4.597 -12.623 -6.567 477 HH12 ARG 60 2HH1 ARG 60 3.994 -14.093 -7.172 478 HH21 ARG 60 1HH2 ARG 60 0.592 -13.128 -7.023 479 HH22 ARG 60 2HH2 ARG 60 1.659 -14.402 -7.441 480 H GLN 61 H GLN 61 2.999 -6.462 -3.010 481 HA GLN 61 HA GLN 61 0.236 -7.049 -2.845 482 HB2 GLN 61 2HB GLN 61 2.044 -5.653 -0.894 483 HB3 GLN 61 1HB GLN 61 0.464 -6.341 -0.521 484 HG2 GLN 61 2HG GLN 61 1.195 -8.448 -1.168 485 HG3 GLN 61 1HG GLN 61 2.794 -7.892 -1.592 486 HE21 GLN 61 1HE2 GLN 61 2.122 -9.883 0.382 487 HE22 GLN 61 2HE2 GLN 61 2.717 -9.316 1.915 488 H LEU 62 H LEU 62 2.027 -4.097 -2.676 489 HA LEU 62 HA LEU 62 -0.356 -2.528 -2.307 490 HB2 LEU 62 2HB LEU 62 2.509 -1.710 -2.679 491 HB3 LEU 62 1HB LEU 62 1.235 -0.517 -2.734 492 HG LEU 62 HG LEU 62 2.267 -0.522 -0.535 493 HD11 LEU 62 1HD1 LEU 62 -0.096 -0.025 -0.573 494 HD12 LEU 62 2HD1 LEU 62 0.345 -0.879 0.898 495 HD13 LEU 62 3HD1 LEU 62 -0.476 -1.739 -0.399 496 HD21 LEU 62 3HD2 LEU 62 3.071 -2.826 -0.510 497 HD22 LEU 62 1HD2 LEU 62 1.420 -3.394 -0.298 498 HD23 LEU 62 2HD2 LEU 62 2.187 -2.420 0.962 499 H ASN 63 H ASN 63 1.525 -3.445 -5.074 500 HA ASN 63 HA ASN 63 0.587 -1.660 -6.971 501 HB2 ASN 63 2HB ASN 63 2.481 -3.312 -7.103 502 HB3 ASN 63 1HB ASN 63 1.249 -4.548 -7.198 503 HD21 ASN 63 1HD2 ASN 63 0.239 -4.991 -8.978 504 HD22 ASN 63 2HD2 ASN 63 0.511 -4.212 -10.474 505 H ARG 64 H ARG 64 -0.681 -4.790 -5.699 506 HA ARG 64 HA ARG 64 -2.648 -5.225 -7.405 507 HB2 ARG 64 2HB ARG 64 -1.616 -6.756 -5.856 508 HB3 ARG 64 1HB ARG 64 -2.272 -5.840 -4.495 509 HG2 ARG 64 2HG ARG 64 -3.648 -7.676 -4.875 510 HG3 ARG 64 1HG ARG 64 -4.377 -6.135 -5.429 511 HD2 ARG 64 2HD ARG 64 -4.855 -7.730 -7.004 512 HD3 ARG 64 1HD ARG 64 -3.711 -6.678 -7.737 513 HE ARG 64 HE ARG 64 -1.963 -8.310 -7.296 514 HH11 ARG 64 1HH1 ARG 64 -5.315 -9.447 -7.381 515 HH12 ARG 64 2HH1 ARG 64 -4.915 -11.067 -7.705 516 HH21 ARG 64 1HH2 ARG 64 -1.420 -10.573 -7.731 517 HH22 ARG 64 2HH2 ARG 64 -2.638 -11.725 -7.933 518 H LEU 65 H LEU 65 -2.468 -2.965 -4.701 519 HA LEU 65 HA LEU 65 -5.299 -2.534 -4.515 520 HB2 LEU 65 2HB LEU 65 -2.999 -0.786 -3.729 521 HB3 LEU 65 1HB LEU 65 -4.674 -0.475 -3.300 522 HG LEU 65 HG LEU 65 -2.930 -2.746 -2.345 523 HD11 LEU 65 1HD1 LEU 65 -4.257 -0.434 -1.026 524 HD12 LEU 65 2HD1 LEU 65 -2.521 -0.569 -1.332 525 HD13 LEU 65 3HD1 LEU 65 -3.318 -1.664 -0.185 526 HD21 LEU 65 3HD2 LEU 65 -4.833 -3.342 -0.948 527 HD22 LEU 65 1HD2 LEU 65 -5.210 -3.514 -2.666 528 HD23 LEU 65 2HD2 LEU 65 -5.791 -2.109 -1.763 529 H PHE 66 H PHE 66 -2.669 -1.067 -6.268 530 HA PHE 66 HA PHE 66 -4.206 1.012 -7.441 531 HB2 PHE 66 2HB PHE 66 -1.752 1.112 -7.291 532 HB3 PHE 66 1HB PHE 66 -1.617 -0.286 -8.348 533 HD1 PHE 66 HD2 PHE 66 -2.841 3.207 -8.217 534 HD2 PHE 66 HD1 PHE 66 -1.474 0.011 -10.659 535 HE1 PHE 66 HE2 PHE 66 -2.776 4.717 -10.154 536 HE2 PHE 66 HE1 PHE 66 -1.405 1.521 -12.602 537 HZ PHE 66 HZ PHE 66 -2.060 3.879 -12.342 538 H ALA 67 H ALA 67 -3.507 -2.297 -8.215 539 HA ALA 67 HA ALA 67 -4.642 -2.371 -10.792 540 HB1 ALA 67 3HB ALA 67 -4.675 -4.792 -10.522 541 HB2 ALA 67 1HB ALA 67 -4.388 -4.613 -8.792 542 HB3 ALA 67 2HB ALA 67 -3.148 -4.122 -9.945 543 H GLN 68 H GLN 68 -6.120 -2.469 -7.534 544 HA GLN 68 HA GLN 68 -8.624 -3.351 -8.394 545 HB2 GLN 68 2HB GLN 68 -7.715 -1.640 -6.120 546 HB3 GLN 68 1HB GLN 68 -9.362 -2.153 -6.287 547 HG2 GLN 68 2HG GLN 68 -7.014 -3.559 -5.114 548 HG3 GLN 68 1HG GLN 68 -8.666 -3.603 -4.798 549 HE21 GLN 68 1HE2 GLN 68 -6.582 -5.712 -5.459 550 HE22 GLN 68 2HE2 GLN 68 -7.460 -6.834 -6.445 551 H GLY 69 H GLY 69 -7.059 -0.252 -7.796 552 HA2 GLY 69 2HA GLY 69 -8.556 1.281 -9.752 553 HA3 GLY 69 1HA GLY 69 -9.112 1.438 -8.126 554 H MET 70 H MET 70 -7.336 2.980 -10.199 555 HA MET 70 HA MET 70 -5.136 3.732 -8.585 556 HB2 MET 70 2HB MET 70 -4.907 5.667 -10.012 557 HB3 MET 70 1HB MET 70 -5.441 4.360 -11.049 558 HG2 MET 70 2HG MET 70 -7.125 6.633 -9.987 559 HG3 MET 70 1HG MET 70 -6.532 6.446 -11.633 560 HE1 MET 70 3HE MET 70 -10.398 5.995 -12.041 561 HE2 MET 70 1HE MET 70 -8.964 6.870 -12.579 562 HE3 MET 70 2HE MET 70 -9.562 7.086 -10.935 563 H ALA 71 H ALA 71 -8.443 4.404 -8.718 564 HA ALA 71 HA ALA 71 -8.542 6.589 -6.853 565 HB1 ALA 71 3HB ALA 71 -10.590 4.681 -7.939 566 HB2 ALA 71 1HB ALA 71 -10.292 6.316 -8.503 567 HB3 ALA 71 2HB ALA 71 -11.012 6.054 -6.902 568 H THR 72 H THR 72 -8.907 3.042 -6.762 569 HA THR 72 HA THR 72 -9.676 2.692 -4.162 570 HB THR 72 HB THR 72 -7.935 1.022 -6.002 571 HG1 THR 72 HG1 THR 72 -10.610 0.477 -5.484 572 HG21 THR 72 3HG2 THR 72 -9.380 0.281 -3.435 573 HG22 THR 72 1HG2 THR 72 -7.653 0.206 -3.677 574 HG23 THR 72 2HG2 THR 72 -8.735 -0.913 -4.512 575 H TRP 73 H TRP 73 -6.441 3.102 -5.590 576 HA TRP 73 HA TRP 73 -4.986 2.767 -3.222 577 HB2 TRP 73 2HB TRP 73 -3.935 2.744 -5.451 578 HB3 TRP 73 1HB TRP 73 -4.289 4.461 -5.633 579 HD1 TRP 73 HD1 TRP 73 -2.622 6.136 -4.578 580 HE1 TRP 73 HE1 TRP 73 -0.418 5.887 -3.223 581 HE3 TRP 73 HE3 TRP 73 -2.769 1.159 -3.711 582 HZ2 TRP 73 HZ2 TRP 73 1.029 3.860 -1.980 583 HZ3 TRP 73 HZ3 TRP 73 -0.942 0.121 -2.444 584 HH2 TRP 73 HH2 TRP 73 0.924 1.457 -1.593 585 H LYS 74 H LYS 74 -6.113 5.768 -4.796 586 HA LYS 74 HA LYS 74 -5.362 7.619 -2.916 587 HB2 LYS 74 2HB LYS 74 -7.920 7.689 -4.563 588 HB3 LYS 74 1HB LYS 74 -7.051 9.081 -3.912 589 HG2 LYS 74 2HG LYS 74 -5.144 8.466 -5.312 590 HG3 LYS 74 1HG LYS 74 -6.092 7.160 -5.977 591 HD2 LYS 74 2HD LYS 74 -7.728 8.816 -6.798 592 HD3 LYS 74 1HD LYS 74 -6.660 10.095 -6.184 593 HE2 LYS 74 2HE LYS 74 -4.831 9.146 -7.502 594 HE3 LYS 74 1HE LYS 74 -5.974 7.994 -8.192 595 HZ1 LYS 74 3HZ LYS 74 -7.140 9.768 -9.278 596 HZ2 LYS 74 1HZ LYS 74 -5.498 9.927 -9.607 597 HZ3 LYS 74 2HZ LYS 74 -6.218 10.945 -8.468 598 H SER 75 H SER 75 -8.233 5.464 -2.806 599 HA SER 75 HA SER 75 -9.362 6.643 -0.573 600 HB2 SER 75 2HB SER 75 -9.560 3.891 -1.785 601 HB3 SER 75 1HB SER 75 -10.689 4.637 -0.661 602 HG SER 75 HG SER 75 -10.102 5.493 -3.311 603 H PHE 76 H PHE 76 -7.339 3.756 -1.140 604 HA PHE 76 HA PHE 76 -7.069 2.727 1.385 605 HB2 PHE 76 2HB PHE 76 -6.218 1.492 -0.419 606 HB3 PHE 76 1HB PHE 76 -5.168 2.770 -0.960 607 HD1 PHE 76 HD2 PHE 76 -5.666 0.356 1.825 608 HD2 PHE 76 HD1 PHE 76 -2.942 2.886 -0.245 609 HE1 PHE 76 HE2 PHE 76 -3.799 -0.605 3.102 610 HE2 PHE 76 HE1 PHE 76 -1.076 1.930 1.030 611 HZ PHE 76 HZ PHE 76 -1.504 0.180 2.705 612 H ILE 77 H ILE 77 -5.057 5.164 -0.118 613 HA ILE 77 HA ILE 77 -3.238 5.464 1.972 614 HB ILE 77 HB ILE 77 -4.093 7.520 -0.064 615 HG12 ILE 77 2HG1 ILE 77 -3.042 5.545 -1.027 616 HG13 ILE 77 1HG1 ILE 77 -1.961 6.925 -1.154 617 HG21 ILE 77 1HG2 ILE 77 -1.732 7.602 1.799 618 HG22 ILE 77 2HG2 ILE 77 -3.157 8.629 1.899 619 HG23 ILE 77 3HG2 ILE 77 -2.070 8.765 0.508 620 HD11 ILE 77 3HD1 ILE 77 -0.699 4.973 -0.546 621 HD12 ILE 77 1HD1 ILE 77 -1.763 4.655 0.826 622 HD13 ILE 77 2HD1 ILE 77 -0.733 6.077 0.832 623 H ASN 78 H ASN 78 -6.365 6.967 1.598 624 HA ASN 78 HA ASN 78 -6.079 8.850 3.724 625 HB2 ASN 78 2HB ASN 78 -7.801 9.091 1.965 626 HB3 ASN 78 1HB ASN 78 -8.585 7.619 2.512 627 HD21 ASN 78 1HD2 ASN 78 -7.976 10.945 3.176 628 HD22 ASN 78 2HD2 ASN 78 -9.159 11.133 4.425 629 H ASP 79 H ASP 79 -7.136 5.546 3.572 630 HA ASP 79 HA ASP 79 -7.805 5.367 6.356 631 HB2 ASP 79 2HB ASP 79 -7.229 3.220 4.307 632 HB3 ASP 79 1HB ASP 79 -7.729 2.957 5.979 633 H LEU 80 H LEU 80 -5.099 4.496 4.352 634 HA LEU 80 HA LEU 80 -3.329 3.146 5.984 635 HB2 LEU 80 2HB LEU 80 -3.140 3.666 3.520 636 HB3 LEU 80 1HB LEU 80 -2.931 5.278 4.022 637 HG LEU 80 HG LEU 80 -0.889 4.104 3.084 638 HD11 LEU 80 1HD1 LEU 80 -0.650 6.245 4.141 639 HD12 LEU 80 2HD1 LEU 80 0.702 5.195 4.570 640 HD13 LEU 80 3HD1 LEU 80 -0.594 5.484 5.731 641 HD21 LEU 80 3HD2 LEU 80 0.429 2.867 4.686 642 HD22 LEU 80 1HD2 LEU 80 -1.103 2.082 4.244 643 HD23 LEU 80 2HD2 LEU 80 -0.974 2.937 5.786 644 H CYS 81 H CYS 81 -3.461 6.652 5.462 645 HA CYS 81 HA CYS 81 -1.491 7.301 7.325 646 HB2 CYS 81 2HB CYS 81 -2.466 9.631 7.068 647 HB3 CYS 81 1HB CYS 81 -1.957 8.817 5.579 648 HG CYS 81 HG CYS 81 -4.438 8.364 4.698 649 H PHE 82 H PHE 82 -4.884 6.894 7.578 650 HA PHE 82 HA PHE 82 -5.267 8.113 10.138 651 HB2 PHE 82 2HB PHE 82 -7.053 7.815 8.356 652 HB3 PHE 82 1HB PHE 82 -6.992 6.119 8.708 653 HD1 PHE 82 HD1 PHE 82 -7.693 9.370 10.349 654 HD2 PHE 82 HD2 PHE 82 -8.292 5.156 10.365 655 HE1 PHE 82 HE1 PHE 82 -9.367 9.616 12.133 656 HE2 PHE 82 HE2 PHE 82 -9.967 5.394 12.150 657 HZ PHE 82 HZ PHE 82 -10.506 7.626 13.038 658 H GLU 83 H GLU 83 -5.246 4.745 9.017 659 HA GLU 83 HA GLU 83 -5.813 3.698 11.580 660 HB2 GLU 83 2HB GLU 83 -4.824 2.251 9.148 661 HB3 GLU 83 1HB GLU 83 -5.525 1.516 10.580 662 HG2 GLU 83 2HG GLU 83 -7.587 2.907 10.066 663 HG3 GLU 83 1HG GLU 83 -6.855 3.206 8.505 664 H LEU 84 H LEU 84 -2.830 4.215 9.860 665 HA LEU 84 HA LEU 84 -1.387 2.508 11.629 666 HB2 LEU 84 2HB LEU 84 -0.428 4.519 9.617 667 HB3 LEU 84 1HB LEU 84 0.647 3.534 10.592 668 HG LEU 84 HG LEU 84 -1.356 2.486 8.587 669 HD11 LEU 84 1HD1 LEU 84 0.629 1.834 7.329 670 HD12 LEU 84 2HD1 LEU 84 1.637 2.650 8.522 671 HD13 LEU 84 3HD1 LEU 84 0.523 3.586 7.523 672 HD21 LEU 84 3HD2 LEU 84 -0.238 0.331 8.974 673 HD22 LEU 84 1HD2 LEU 84 -1.056 0.917 10.421 674 HD23 LEU 84 2HD2 LEU 84 0.695 1.061 10.277 675 H ASP 85 H ASP 85 -1.731 6.029 11.366 676 HA ASP 85 HA ASP 85 -1.270 6.295 14.141 677 HB2 ASP 85 2HB ASP 85 1.052 5.935 13.470 678 HB3 ASP 85 1HB ASP 85 0.929 7.185 12.250 679 H VAL 86 H VAL 86 -0.126 8.793 12.075 680 HA VAL 86 HA VAL 86 -2.727 10.052 11.825 681 HB VAL 86 HB VAL 86 -1.835 12.263 12.508 682 HG11 VAL 86 1HG1 VAL 86 -1.580 11.989 14.915 683 HG12 VAL 86 2HG1 VAL 86 -1.399 10.250 14.683 684 HG13 VAL 86 3HG1 VAL 86 -2.916 11.044 14.261 685 HG21 VAL 86 3HG2 VAL 86 0.503 11.948 11.909 686 HG22 VAL 86 1HG2 VAL 86 0.705 10.821 13.251 687 HG23 VAL 86 2HG2 VAL 86 0.361 12.522 13.571 688 HA PRO 87 HA PRO 87 -1.323 11.123 7.677 689 HB2 PRO 87 2HB PRO 87 -1.274 13.964 8.639 690 HB3 PRO 87 1HB PRO 87 -1.890 13.312 7.113 691 HG2 PRO 87 2HG PRO 87 -3.580 13.921 9.060 692 HG3 PRO 87 1HG PRO 87 -3.812 12.456 8.091 693 HD2 PRO 87 2HD PRO 87 -2.883 12.738 10.892 694 HD3 PRO 87 1HD PRO 87 -3.754 11.399 10.123 695 H LEU 88 H LEU 88 0.636 10.413 7.444 696 HA LEU 88 HA LEU 88 2.866 11.467 8.897 697 HB2 LEU 88 2HB LEU 88 4.051 9.630 7.368 698 HB3 LEU 88 1HB LEU 88 3.196 9.234 8.839 699 HG LEU 88 HG LEU 88 1.186 8.679 7.441 700 HD11 LEU 88 1HD1 LEU 88 3.063 8.867 5.101 701 HD12 LEU 88 2HD1 LEU 88 1.706 9.943 5.453 702 HD13 LEU 88 3HD1 LEU 88 1.408 8.240 5.104 703 HD21 LEU 88 3HD2 LEU 88 2.031 6.506 6.693 704 HD22 LEU 88 1HD2 LEU 88 2.612 6.932 8.303 705 HD23 LEU 88 2HD2 LEU 88 3.684 7.085 6.912 706 H ASP 89 H ASP 89 1.403 12.316 6.096 707 HA ASP 89 HA ASP 89 3.167 14.351 5.454 708 HB2 ASP 89 2HB ASP 89 4.332 12.183 4.403 709 HB3 ASP 89 1HB ASP 89 3.008 12.263 3.249 710 H MET 90 H MET 90 2.180 14.548 2.745 711 HA MET 90 HA MET 90 -0.621 14.989 3.395 712 HB2 MET 90 2HB MET 90 0.913 16.681 2.183 713 HB3 MET 90 1HB MET 90 0.807 15.627 0.793 714 HG2 MET 90 2HG MET 90 -1.583 16.917 2.102 715 HG3 MET 90 1HG MET 90 -0.695 17.636 0.774 716 HE1 MET 90 3HE MET 90 -3.816 17.190 0.775 717 HE2 MET 90 1HE MET 90 -4.072 16.605 -0.869 718 HE3 MET 90 2HE MET 90 -2.923 17.910 -0.564 719 H GLU 91 H GLU 91 -2.250 13.961 2.324 720 HA GLU 91 HA GLU 91 -2.066 11.221 1.939 721 HB2 GLU 91 2HB GLU 91 -4.082 12.475 2.536 722 HB3 GLU 91 1HB GLU 91 -4.122 13.186 0.938 723 HG2 GLU 91 2HG GLU 91 -4.559 10.964 -0.015 724 HG3 GLU 91 1HG GLU 91 -4.549 10.288 1.618 725 H ILE 92 H ILE 92 -2.292 13.722 -0.594 726 HA ILE 92 HA ILE 92 -2.555 11.853 -2.781 727 HB ILE 92 HB ILE 92 -1.910 14.808 -2.661 728 HG12 ILE 92 2HG1 ILE 92 -4.104 14.425 -1.788 729 HG13 ILE 92 1HG1 ILE 92 -4.273 15.107 -3.401 730 HG21 ILE 92 1HG2 ILE 92 -2.624 13.165 -5.053 731 HG22 ILE 92 2HG2 ILE 92 -1.065 13.896 -4.627 732 HG23 ILE 92 3HG2 ILE 92 -2.451 14.937 -4.995 733 HD11 ILE 92 3HD1 ILE 92 -4.708 12.837 -4.262 734 HD12 ILE 92 1HD1 ILE 92 -5.887 13.361 -3.052 735 HD13 ILE 92 2HD1 ILE 92 -4.614 12.233 -2.604 736 HA PRO 93 HA PRO 93 2.252 12.699 -3.632 737 HB2 PRO 93 2HB PRO 93 2.811 12.617 -0.693 738 HB3 PRO 93 1HB PRO 93 3.787 13.337 -1.976 739 HG2 PRO 93 2HG PRO 93 2.288 14.912 -0.461 740 HG3 PRO 93 1HG PRO 93 2.308 15.169 -2.213 741 HD2 PRO 93 2HD PRO 93 0.137 13.967 -0.557 742 HD3 PRO 93 1HD PRO 93 0.060 14.933 -2.027 743 H LEU 94 H LEU 94 0.892 11.022 -0.845 744 HA LEU 94 HA LEU 94 2.347 8.569 -1.178 745 HB2 LEU 94 2HB LEU 94 -0.117 9.377 0.335 746 HB3 LEU 94 1HB LEU 94 0.359 7.702 0.239 747 HG LEU 94 HG LEU 94 0.890 8.853 2.350 748 HD11 LEU 94 1HD1 LEU 94 3.198 7.971 2.553 749 HD12 LEU 94 2HD1 LEU 94 3.294 7.865 0.800 750 HD13 LEU 94 3HD1 LEU 94 2.144 6.857 1.679 751 HD21 LEU 94 3HD2 LEU 94 2.860 10.333 2.464 752 HD22 LEU 94 1HD2 LEU 94 1.515 11.050 1.571 753 HD23 LEU 94 2HD2 LEU 94 2.896 10.382 0.699 754 H VAL 95 H VAL 95 -0.815 9.798 -2.255 755 HA VAL 95 HA VAL 95 -1.604 7.421 -3.459 756 HB VAL 95 HB VAL 95 -3.365 8.443 -4.061 757 HG11 VAL 95 1HG1 VAL 95 -2.793 10.131 -1.852 758 HG12 VAL 95 2HG1 VAL 95 -3.686 8.625 -1.994 759 HG13 VAL 95 3HG1 VAL 95 -4.341 10.102 -2.701 760 HG21 VAL 95 3HG2 VAL 95 -2.837 9.780 -5.826 761 HG22 VAL 95 1HG2 VAL 95 -2.129 11.043 -4.796 762 HG23 VAL 95 2HG2 VAL 95 -3.883 10.719 -4.779 763 H SER 96 H SER 96 0.108 10.141 -4.467 764 HA SER 96 HA SER 96 0.476 9.820 -7.224 765 HB2 SER 96 2HB SER 96 2.013 11.136 -5.095 766 HB3 SER 96 1HB SER 96 2.329 11.470 -6.775 767 HG SER 96 HG SER 96 0.121 12.094 -5.162 768 H ILE 97 H ILE 97 1.507 7.683 -4.951 769 HA ILE 97 HA ILE 97 4.267 7.506 -5.382 770 HB ILE 97 HB ILE 97 2.939 6.572 -3.419 771 HG12 ILE 97 2HG1 ILE 97 4.387 4.589 -3.178 772 HG13 ILE 97 1HG1 ILE 97 4.936 4.847 -4.836 773 HG21 ILE 97 1HG2 ILE 97 1.228 5.375 -4.597 774 HG22 ILE 97 2HG2 ILE 97 2.179 4.234 -3.644 775 HG23 ILE 97 3HG2 ILE 97 2.423 4.351 -5.386 776 HD11 ILE 97 3HD1 ILE 97 5.254 6.708 -2.513 777 HD12 ILE 97 1HD1 ILE 97 5.765 7.084 -4.162 778 HD13 ILE 97 2HD1 ILE 97 6.530 5.765 -3.290 779 H TRP 98 H TRP 98 1.542 6.237 -7.080 780 HA TRP 98 HA TRP 98 3.113 5.474 -9.284 781 HB2 TRP 98 2HB TRP 98 3.486 3.479 -7.877 782 HB3 TRP 98 1HB TRP 98 1.756 3.265 -7.695 783 HD1 TRP 98 HD1 TRP 98 0.659 1.702 -9.357 784 HE1 TRP 98 HE1 TRP 98 1.362 0.548 -11.567 785 HE3 TRP 98 HE3 TRP 98 5.124 4.055 -10.113 786 HZ2 TRP 98 HZ2 TRP 98 3.520 0.637 -13.371 787 HZ3 TRP 98 HZ3 TRP 98 6.449 3.470 -12.103 788 HH2 TRP 98 HH2 TRP 98 5.662 1.796 -13.697 789 H GLY 99 H GLY 99 1.950 6.225 -10.788 790 HA2 GLY 99 2HA GLY 99 -0.583 5.357 -11.498 791 HA3 GLY 99 1HA GLY 99 -0.734 6.919 -10.682 792 HA PRO 100 HA PRO 100 2.368 7.633 -14.284 793 HB2 PRO 100 2HB PRO 100 1.990 5.344 -16.084 794 HB3 PRO 100 1HB PRO 100 3.494 6.010 -15.439 795 HG2 PRO 100 2HG PRO 100 2.540 3.637 -14.623 796 HG3 PRO 100 1HG PRO 100 3.381 4.733 -13.515 797 HD2 PRO 100 2HD PRO 100 0.434 4.283 -13.847 798 HD3 PRO 100 1HD PRO 100 1.391 4.425 -12.356 799 H ARG 101 H ARG 101 0.966 9.196 -14.832 800 HA ARG 101 HA ARG 101 -0.656 8.778 -17.151 801 HB2 ARG 101 2HB ARG 101 -2.215 8.546 -15.321 802 HB3 ARG 101 1HB ARG 101 -1.528 9.944 -14.508 803 HG2 ARG 101 2HG ARG 101 -2.344 11.389 -16.194 804 HG3 ARG 101 1HG ARG 101 -2.959 10.023 -17.141 805 HD2 ARG 101 2HD ARG 101 -4.504 9.446 -15.378 806 HD3 ARG 101 1HD ARG 101 -3.841 10.701 -14.332 807 HE ARG 101 HE ARG 101 -4.664 12.133 -16.400 808 HH11 ARG 101 1HH1 ARG 101 -6.336 9.537 -14.688 809 HH12 ARG 101 2HH1 ARG 101 -7.897 10.176 -14.910 810 HH21 ARG 101 1HH2 ARG 101 -6.801 13.088 -16.642 811 HH22 ARG 101 2HH2 ARG 101 -8.163 12.264 -16.055 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 -4.156 21.132 1.466 2 H2 GLY 1 2H GLY 1 -3.090 20.769 0.238 3 H3 GLY 1 3H GLY 1 -2.632 20.526 1.852 4 HA2 GLY 1 1HA GLY 1 -3.221 18.426 0.770 5 HA3 GLY 1 2HA GLY 1 -4.373 18.824 2.042 6 HA PRO 2 HA PRO 2 -7.003 17.905 -1.623 7 HB2 PRO 2 2HB PRO 2 -8.970 17.767 0.614 8 HB3 PRO 2 1HB PRO 2 -8.743 16.660 -0.745 9 HG2 PRO 2 2HG PRO 2 -7.911 15.991 1.695 10 HG3 PRO 2 1HG PRO 2 -6.942 15.583 0.267 11 HD2 PRO 2 2HD PRO 2 -6.541 17.760 2.274 12 HD3 PRO 2 1HD PRO 2 -5.341 16.735 1.468 13 H LEU 3 H LEU 3 -7.308 19.790 -2.597 14 HA LEU 3 HA LEU 3 -8.577 22.047 -1.223 15 HB2 LEU 3 2HB LEU 3 -7.180 21.919 -3.892 16 HB3 LEU 3 1HB LEU 3 -7.837 23.369 -3.170 17 HG LEU 3 HG LEU 3 -5.535 21.746 -2.079 18 HD11 LEU 3 1HD1 LEU 3 -5.592 24.440 -3.425 19 HD12 LEU 3 2HD1 LEU 3 -4.971 22.944 -4.118 20 HD13 LEU 3 3HD1 LEU 3 -4.175 23.664 -2.717 21 HD21 LEU 3 3HD2 LEU 3 -5.243 23.618 -0.518 22 HD22 LEU 3 1HD2 LEU 3 -6.796 22.815 -0.290 23 HD23 LEU 3 2HD2 LEU 3 -6.719 24.359 -1.138 24 H GLY 4 H GLY 4 -9.054 19.764 -3.803 25 HA2 GLY 4 2HA GLY 4 -11.726 19.729 -3.980 26 HA3 GLY 4 1HA GLY 4 -11.329 21.179 -4.897 27 H SER 5 H SER 5 -9.132 20.524 -6.235 28 HA SER 5 HA SER 5 -10.095 18.583 -8.141 29 HB2 SER 5 2HB SER 5 -7.554 20.195 -8.095 30 HB3 SER 5 1HB SER 5 -8.172 19.276 -9.466 31 HG SER 5 HG SER 5 -9.141 21.657 -8.320 32 H MET 6 H MET 6 -9.523 16.517 -8.062 33 HA MET 6 HA MET 6 -7.820 15.620 -5.990 34 HB2 MET 6 2HB MET 6 -9.869 14.421 -6.981 35 HB3 MET 6 1HB MET 6 -8.795 13.909 -8.272 36 HG2 MET 6 2HG MET 6 -8.994 12.133 -6.639 37 HG3 MET 6 1HG MET 6 -7.366 12.803 -6.583 38 HE1 MET 6 3HE MET 6 -8.332 11.736 -2.877 39 HE2 MET 6 1HE MET 6 -7.255 11.402 -4.232 40 HE3 MET 6 2HE MET 6 -8.967 10.986 -4.344 41 H ASP 7 H ASP 7 -7.260 16.719 -9.065 42 HA ASP 7 HA ASP 7 -4.818 15.269 -9.727 43 HB2 ASP 7 2HB ASP 7 -6.178 17.681 -10.878 44 HB3 ASP 7 1HB ASP 7 -4.575 17.172 -11.397 45 H ALA 8 H ALA 8 -5.064 16.755 -7.160 46 HA ALA 8 HA ALA 8 -2.998 18.740 -7.250 47 HB1 ALA 8 3HB ALA 8 -4.698 18.788 -5.490 48 HB2 ALA 8 1HB ALA 8 -3.100 18.583 -4.775 49 HB3 ALA 8 2HB ALA 8 -4.185 17.199 -4.926 50 H GLU 9 H GLU 9 -3.196 15.464 -7.368 51 HA GLU 9 HA GLU 9 -0.893 14.604 -6.063 52 HB2 GLU 9 2HB GLU 9 -1.165 12.601 -7.767 53 HB3 GLU 9 1HB GLU 9 -2.278 12.830 -6.428 54 HG2 GLU 9 2HG GLU 9 -3.648 12.330 -8.256 55 HG3 GLU 9 1HG GLU 9 -3.717 14.079 -8.060 56 H SER 10 H SER 10 -1.372 15.694 -9.297 57 HA SER 10 HA SER 10 1.045 15.233 -10.506 58 HB2 SER 10 2HB SER 10 -0.822 17.563 -10.549 59 HB3 SER 10 1HB SER 10 0.435 17.328 -11.779 60 HG SER 10 HG SER 10 -1.639 15.442 -11.146 61 H ILE 11 H ILE 11 0.205 17.567 -8.089 62 HA ILE 11 HA ILE 11 2.443 19.297 -8.430 63 HB ILE 11 HB ILE 11 0.158 19.157 -6.445 64 HG12 ILE 11 2HG1 ILE 11 -0.934 20.856 -7.613 65 HG13 ILE 11 1HG1 ILE 11 0.434 21.240 -8.696 66 HG21 ILE 11 1HG2 ILE 11 0.724 21.452 -5.787 67 HG22 ILE 11 2HG2 ILE 11 2.170 21.370 -6.792 68 HG23 ILE 11 3HG2 ILE 11 2.006 20.303 -5.399 69 HD11 ILE 11 3HD1 ILE 11 -0.186 19.172 -9.809 70 HD12 ILE 11 1HD1 ILE 11 -1.556 20.262 -9.725 71 HD13 ILE 11 2HD1 ILE 11 -1.457 18.855 -8.641 72 H ARG 12 H ARG 12 1.561 16.558 -6.484 73 HA ARG 12 HA ARG 12 3.795 16.968 -4.642 74 HB2 ARG 12 2HB ARG 12 1.217 15.484 -4.406 75 HB3 ARG 12 1HB ARG 12 2.553 15.241 -3.297 76 HG2 ARG 12 2HG ARG 12 1.088 17.825 -3.777 77 HG3 ARG 12 1HG ARG 12 0.890 16.771 -2.373 78 HD2 ARG 12 2HD ARG 12 3.401 17.090 -1.997 79 HD3 ARG 12 1HD ARG 12 3.283 18.399 -3.173 80 HE ARG 12 HE ARG 12 1.425 18.483 -0.986 81 HH11 ARG 12 1HH1 ARG 12 4.480 19.726 -2.307 82 HH12 ARG 12 2HH1 ARG 12 4.647 20.937 -1.117 83 HH21 ARG 12 1HH2 ARG 12 1.672 20.192 0.619 84 HH22 ARG 12 2HH2 ARG 12 3.032 21.207 0.550 85 H LEU 13 H LEU 13 3.381 15.575 -7.394 86 HA LEU 13 HA LEU 13 3.632 12.817 -7.276 87 HB2 LEU 13 2HB LEU 13 3.191 14.274 -9.266 88 HB3 LEU 13 1HB LEU 13 4.903 14.607 -9.324 89 HG LEU 13 HG LEU 13 3.869 11.783 -9.522 90 HD11 LEU 13 1HD1 LEU 13 4.255 13.777 -11.734 91 HD12 LEU 13 2HD1 LEU 13 2.726 13.105 -11.158 92 HD13 LEU 13 3HD1 LEU 13 3.910 12.050 -11.942 93 HD21 LEU 13 3HD2 LEU 13 5.958 11.426 -10.742 94 HD22 LEU 13 1HD2 LEU 13 6.251 12.102 -9.140 95 HD23 LEU 13 2HD2 LEU 13 6.362 13.139 -10.567 96 H ASN 14 H ASN 14 5.048 11.530 -6.459 97 HA ASN 14 HA ASN 14 7.880 11.914 -6.771 98 HB2 ASN 14 2HB ASN 14 7.331 12.976 -4.538 99 HB3 ASN 14 1HB ASN 14 6.584 11.464 -4.049 100 HD21 ASN 14 1HD2 ASN 14 9.529 13.127 -4.629 101 HD22 ASN 14 2HD2 ASN 14 10.595 11.959 -3.946 102 H ASN 15 H ASN 15 8.858 9.750 -6.648 103 HA ASN 15 HA ASN 15 6.791 7.732 -6.402 104 HB2 ASN 15 2HB ASN 15 7.750 6.361 -8.215 105 HB3 ASN 15 1HB ASN 15 7.197 7.919 -8.792 106 HD21 ASN 15 1HD2 ASN 15 9.104 5.983 -9.895 107 HD22 ASN 15 2HD2 ASN 15 10.573 6.866 -10.150 108 H GLU 16 H GLU 16 10.343 7.639 -6.698 109 HA GLU 16 HA GLU 16 10.323 5.208 -5.293 110 HB2 GLU 16 2HB GLU 16 12.784 5.308 -5.361 111 HB3 GLU 16 1HB GLU 16 11.978 5.449 -6.923 112 HG2 GLU 16 2HG GLU 16 12.222 7.744 -6.904 113 HG3 GLU 16 1HG GLU 16 12.891 7.699 -5.266 114 H ASN 17 H ASN 17 10.917 8.452 -4.177 115 HA ASN 17 HA ASN 17 12.146 7.592 -1.739 116 HB2 ASN 17 2HB ASN 17 10.932 10.252 -2.497 117 HB3 ASN 17 1HB ASN 17 11.680 9.947 -0.934 118 HD21 ASN 17 1HD2 ASN 17 13.904 9.676 -0.817 119 HD22 ASN 17 2HD2 ASN 17 14.964 10.137 -2.080 120 H LEU 18 H LEU 18 8.884 8.470 -2.629 121 HA LEU 18 HA LEU 18 7.908 7.996 0.006 122 HB2 LEU 18 2HB LEU 18 6.449 8.181 -2.622 123 HB3 LEU 18 1HB LEU 18 5.657 8.010 -1.069 124 HG LEU 18 HG LEU 18 7.358 10.356 -1.927 125 HD11 LEU 18 1HD1 LEU 18 5.199 10.227 -3.061 126 HD12 LEU 18 2HD1 LEU 18 5.282 11.587 -1.944 127 HD13 LEU 18 3HD1 LEU 18 4.391 10.132 -1.497 128 HD21 LEU 18 3HD2 LEU 18 6.566 11.408 0.143 129 HD22 LEU 18 1HD2 LEU 18 7.527 9.971 0.484 130 HD23 LEU 18 2HD2 LEU 18 5.770 9.904 0.603 131 H TRP 19 H TRP 19 8.270 6.091 -2.892 132 HA TRP 19 HA TRP 19 6.831 3.837 -2.100 133 HB2 TRP 19 2HB TRP 19 7.713 4.219 -4.423 134 HB3 TRP 19 1HB TRP 19 9.319 3.924 -3.799 135 HD1 TRP 19 HD1 TRP 19 10.111 1.656 -4.532 136 HE1 TRP 19 HE1 TRP 19 9.093 -0.684 -4.757 137 HE3 TRP 19 HE3 TRP 19 5.307 2.692 -3.099 138 HZ2 TRP 19 HZ2 TRP 19 6.618 -1.920 -4.368 139 HZ3 TRP 19 HZ3 TRP 19 3.686 0.859 -3.050 140 HH2 TRP 19 HH2 TRP 19 4.327 -1.398 -3.670 141 H ALA 20 H ALA 20 10.285 4.564 -1.708 142 HA ALA 20 HA ALA 20 10.970 2.212 -0.359 143 HB1 ALA 20 3HB ALA 20 12.624 3.725 -1.298 144 HB2 ALA 20 1HB ALA 20 12.942 3.411 0.407 145 HB3 ALA 20 2HB ALA 20 12.218 4.951 -0.094 146 H TRP 21 H TRP 21 9.801 5.294 0.866 147 HA TRP 21 HA TRP 21 9.907 4.697 3.601 148 HB2 TRP 21 2HB TRP 21 9.616 6.968 3.124 149 HB3 TRP 21 1HB TRP 21 8.394 6.653 1.904 150 HD1 TRP 21 HD1 TRP 21 6.018 7.185 2.609 151 HE1 TRP 21 HE1 TRP 21 4.763 7.498 4.816 152 HE3 TRP 21 HE3 TRP 21 9.790 6.018 5.867 153 HZ2 TRP 21 HZ2 TRP 21 5.271 7.282 7.551 154 HZ3 TRP 21 HZ3 TRP 21 9.309 6.097 8.282 155 HH2 TRP 21 HH2 TRP 21 7.089 6.712 9.104 156 H LEU 22 H LEU 22 7.254 4.415 1.265 157 HA LEU 22 HA LEU 22 5.298 3.477 3.022 158 HB2 LEU 22 2HB LEU 22 4.879 4.365 0.745 159 HB3 LEU 22 1HB LEU 22 5.583 2.913 0.070 160 HG LEU 22 HG LEU 22 3.747 1.591 1.103 161 HD11 LEU 22 1HD1 LEU 22 2.631 4.306 1.793 162 HD12 LEU 22 2HD1 LEU 22 3.167 3.074 2.938 163 HD13 LEU 22 3HD1 LEU 22 1.762 2.779 1.916 164 HD21 LEU 22 3HD2 LEU 22 2.887 3.831 -0.724 165 HD22 LEU 22 1HD2 LEU 22 2.016 2.321 -0.469 166 HD23 LEU 22 2HD2 LEU 22 3.611 2.302 -1.219 167 H VAL 23 H VAL 23 7.467 1.728 0.863 168 HA VAL 23 HA VAL 23 6.665 -0.846 1.467 169 HB VAL 23 HB VAL 23 9.314 0.243 0.493 170 HG11 VAL 23 1HG1 VAL 23 9.992 -2.042 -0.046 171 HG12 VAL 23 2HG1 VAL 23 8.566 -2.673 0.798 172 HG13 VAL 23 3HG1 VAL 23 9.825 -1.812 1.693 173 HG21 VAL 23 3HG2 VAL 23 7.135 -1.357 -0.813 174 HG22 VAL 23 1HG2 VAL 23 8.621 -0.817 -1.592 175 HG23 VAL 23 2HG2 VAL 23 7.444 0.367 -1.021 176 H ARG 24 H ARG 24 9.127 1.150 3.019 177 HA ARG 24 HA ARG 24 10.044 -0.927 4.727 178 HB2 ARG 24 2HB ARG 24 11.391 1.061 4.140 179 HB3 ARG 24 1HB ARG 24 10.296 2.064 5.079 180 HG2 ARG 24 2HG ARG 24 12.269 1.638 6.368 181 HG3 ARG 24 1HG ARG 24 10.925 0.759 7.099 182 HD2 ARG 24 2HD ARG 24 11.672 -1.287 5.968 183 HD3 ARG 24 1HD ARG 24 13.007 -0.390 5.249 184 HE ARG 24 HE ARG 24 12.892 -0.297 8.118 185 HH11 ARG 24 1HH1 ARG 24 14.245 -1.950 5.299 186 HH12 ARG 24 2HH1 ARG 24 15.434 -2.786 6.190 187 HH21 ARG 24 1HH2 ARG 24 14.504 -1.402 9.312 188 HH22 ARG 24 2HH2 ARG 24 15.588 -2.489 8.563 189 H LEU 25 H LEU 25 7.763 1.716 5.131 190 HA LEU 25 HA LEU 25 7.355 1.272 7.894 191 HB2 LEU 25 2HB LEU 25 6.941 3.371 6.453 192 HB3 LEU 25 1HB LEU 25 5.461 2.608 5.953 193 HG LEU 25 HG LEU 25 5.150 4.363 7.681 194 HD11 LEU 25 1HD1 LEU 25 4.402 1.631 8.645 195 HD12 LEU 25 2HD1 LEU 25 3.519 2.613 7.475 196 HD13 LEU 25 3HD1 LEU 25 3.684 3.167 9.149 197 HD21 LEU 25 3HD2 LEU 25 7.226 4.016 8.890 198 HD22 LEU 25 1HD2 LEU 25 6.618 2.473 9.493 199 HD23 LEU 25 2HD2 LEU 25 5.821 3.975 9.959 200 H LEU 26 H LEU 26 5.557 0.238 4.979 201 HA LEU 26 HA LEU 26 3.598 -1.237 6.406 202 HB2 LEU 26 2HB LEU 26 4.486 -1.328 3.574 203 HB3 LEU 26 1HB LEU 26 3.096 -2.168 4.243 204 HG LEU 26 HG LEU 26 3.421 0.692 3.573 205 HD11 LEU 26 1HD1 LEU 26 1.311 -1.192 4.008 206 HD12 LEU 26 2HD1 LEU 26 2.047 -0.868 2.396 207 HD13 LEU 26 3HD1 LEU 26 1.019 0.374 3.231 208 HD21 LEU 26 3HD2 LEU 26 1.752 -0.149 5.956 209 HD22 LEU 26 1HD2 LEU 26 1.776 1.447 5.211 210 HD23 LEU 26 2HD2 LEU 26 3.209 0.845 6.035 211 H SER 27 H SER 27 6.865 -1.948 5.387 212 HA SER 27 HA SER 27 6.658 -4.750 5.519 213 HB2 SER 27 2HB SER 27 8.546 -3.497 4.442 214 HB3 SER 27 1HB SER 27 9.046 -2.912 6.016 215 HG SER 27 HG SER 27 9.223 -5.440 4.866 216 H LYS 28 H LYS 28 6.763 -2.167 7.811 217 HA LYS 28 HA LYS 28 7.437 -3.875 9.996 218 HB2 LYS 28 2HB LYS 28 6.498 -1.043 10.164 219 HB3 LYS 28 1HB LYS 28 7.393 -1.959 11.371 220 HG2 LYS 28 2HG LYS 28 9.145 -2.131 9.373 221 HG3 LYS 28 1HG LYS 28 8.232 -0.786 8.851 222 HD2 LYS 28 2HD LYS 28 9.447 -0.894 11.591 223 HD3 LYS 28 1HD LYS 28 10.186 -0.056 10.223 224 HE2 LYS 28 2HE LYS 28 8.324 1.451 10.078 225 HE3 LYS 28 1HE LYS 28 7.434 0.551 11.308 226 HZ1 LYS 28 3HZ LYS 28 9.184 1.165 12.900 227 HZ2 LYS 28 1HZ LYS 28 8.413 2.515 12.248 228 HZ3 LYS 28 2HZ LYS 28 9.937 2.096 11.702 229 H ASN 29 H ASN 29 4.692 -3.075 8.232 230 HA ASN 29 HA ASN 29 2.852 -3.773 10.399 231 HB2 ASN 29 2HB ASN 29 2.529 -1.604 8.373 232 HB3 ASN 29 1HB ASN 29 1.260 -2.106 9.324 233 HD21 ASN 29 1HD2 ASN 29 4.139 -0.290 9.337 234 HD22 ASN 29 2HD2 ASN 29 4.011 0.410 10.913 235 HA PRO 30 HA PRO 30 2.072 -5.802 6.130 236 HB2 PRO 30 2HB PRO 30 2.738 -8.387 6.639 237 HB3 PRO 30 1HB PRO 30 3.929 -7.223 6.056 238 HG2 PRO 30 2HG PRO 30 3.487 -8.260 8.817 239 HG3 PRO 30 1HG PRO 30 5.006 -7.882 7.992 240 HD2 PRO 30 2HD PRO 30 3.785 -6.248 9.835 241 HD3 PRO 30 1HD PRO 30 4.907 -5.671 8.597 242 H GLU 31 H GLU 31 1.561 -6.394 9.353 243 HA GLU 31 HA GLU 31 -0.596 -8.212 9.296 244 HB2 GLU 31 2HB GLU 31 0.178 -6.244 11.434 245 HB3 GLU 31 1HB GLU 31 -0.778 -7.704 11.640 246 HG2 GLU 31 2HG GLU 31 1.202 -9.041 10.981 247 HG3 GLU 31 1HG GLU 31 2.133 -7.554 10.858 248 H TRP 32 H TRP 32 -0.295 -4.616 9.397 249 HA TRP 32 HA TRP 32 -3.136 -4.285 9.534 250 HB2 TRP 32 2HB TRP 32 -1.782 -2.480 10.353 251 HB3 TRP 32 1HB TRP 32 -0.867 -2.409 8.851 252 HD1 TRP 32 HD1 TRP 32 -4.275 -1.428 10.310 253 HE1 TRP 32 HE1 TRP 32 -5.337 0.345 8.786 254 HE3 TRP 32 HE3 TRP 32 -0.905 -1.570 6.498 255 HZ2 TRP 32 HZ2 TRP 32 -4.762 1.603 6.235 256 HZ3 TRP 32 HZ3 TRP 32 -1.193 -0.151 4.605 257 HH2 TRP 32 HH2 TRP 32 -3.106 1.431 4.446 258 H LEU 33 H LEU 33 -0.686 -4.117 7.090 259 HA LEU 33 HA LEU 33 -2.112 -3.191 4.943 260 HB2 LEU 33 2HB LEU 33 0.251 -3.282 5.013 261 HB3 LEU 33 1HB LEU 33 0.256 -5.003 5.098 262 HG LEU 33 HG LEU 33 -0.594 -5.172 2.838 263 HD11 LEU 33 1HD1 LEU 33 -0.408 -2.161 2.810 264 HD12 LEU 33 2HD1 LEU 33 -1.881 -3.135 2.739 265 HD13 LEU 33 3HD1 LEU 33 -0.730 -3.181 1.401 266 HD21 LEU 33 3HD2 LEU 33 1.401 -4.383 1.665 267 HD22 LEU 33 1HD2 LEU 33 1.807 -5.160 3.194 268 HD23 LEU 33 2HD2 LEU 33 1.827 -3.398 3.062 269 H SER 34 H SER 34 -1.455 -6.523 5.757 270 HA SER 34 HA SER 34 -2.705 -7.854 3.693 271 HB2 SER 34 2HB SER 34 -3.058 -9.696 5.435 272 HB3 SER 34 1HB SER 34 -1.412 -9.083 5.252 273 HG SER 34 HG SER 34 -1.471 -8.308 7.130 274 H ALA 35 H ALA 35 -4.177 -7.002 6.712 275 HA ALA 35 HA ALA 35 -6.806 -7.766 6.329 276 HB1 ALA 35 3HB ALA 35 -5.887 -7.053 8.491 277 HB2 ALA 35 1HB ALA 35 -7.396 -6.226 8.112 278 HB3 ALA 35 2HB ALA 35 -5.861 -5.384 7.923 279 H LYS 36 H LYS 36 -5.323 -4.649 5.515 280 HA LYS 36 HA LYS 36 -7.788 -3.604 4.385 281 HB2 LYS 36 2HB LYS 36 -4.919 -2.561 4.248 282 HB3 LYS 36 1HB LYS 36 -6.303 -1.699 3.598 283 HG2 LYS 36 2HG LYS 36 -6.010 -2.501 6.462 284 HG3 LYS 36 1HG LYS 36 -5.539 -0.935 5.805 285 HD2 LYS 36 2HD LYS 36 -8.285 -2.065 5.476 286 HD3 LYS 36 1HD LYS 36 -7.863 -1.065 6.895 287 HE2 LYS 36 2HE LYS 36 -7.163 0.669 5.153 288 HE3 LYS 36 1HE LYS 36 -7.953 -0.371 3.968 289 HZ1 LYS 36 3HZ LYS 36 -9.206 0.930 6.306 290 HZ2 LYS 36 1HZ LYS 36 -10.042 -0.117 5.254 291 HZ3 LYS 36 2HZ LYS 36 -9.424 1.349 4.690 292 H LEU 37 H LEU 37 -5.043 -5.326 3.117 293 HA LEU 37 HA LEU 37 -5.727 -5.080 0.411 294 HB2 LEU 37 2HB LEU 37 -4.489 -7.445 1.819 295 HB3 LEU 37 1HB LEU 37 -4.564 -7.220 0.085 296 HG LEU 37 HG LEU 37 -3.012 -5.501 2.013 297 HD11 LEU 37 1HD1 LEU 37 -2.049 -7.522 0.000 298 HD12 LEU 37 2HD1 LEU 37 -2.163 -7.800 1.731 299 HD13 LEU 37 3HD1 LEU 37 -1.056 -6.578 1.116 300 HD21 LEU 37 3HD2 LEU 37 -2.019 -4.541 -0.022 301 HD22 LEU 37 1HD2 LEU 37 -3.753 -4.234 0.060 302 HD23 LEU 37 2HD2 LEU 37 -3.131 -5.492 -1.006 303 H ARG 38 H ARG 38 -6.887 -7.162 2.973 304 HA ARG 38 HA ARG 38 -8.441 -8.957 1.449 305 HB2 ARG 38 2HB ARG 38 -9.141 -7.928 4.191 306 HB3 ARG 38 1HB ARG 38 -9.696 -9.417 3.450 307 HG2 ARG 38 2HG ARG 38 -7.142 -10.121 3.506 308 HG3 ARG 38 1HG ARG 38 -6.969 -8.730 4.440 309 HD2 ARG 38 2HD ARG 38 -8.469 -9.428 6.127 310 HD3 ARG 38 1HD ARG 38 -8.964 -10.810 5.143 311 HE ARG 38 HE ARG 38 -6.638 -11.608 5.371 312 HH11 ARG 38 1HH1 ARG 38 -8.086 -9.610 7.941 313 HH12 ARG 38 2HH1 ARG 38 -7.029 -10.185 9.143 314 HH21 ARG 38 1HH2 ARG 38 -5.193 -12.369 7.094 315 HH22 ARG 38 2HH2 ARG 38 -5.356 -11.687 8.648 316 H SER 39 H SER 39 -9.116 -5.662 2.628 317 HA SER 39 HA SER 39 -11.805 -5.559 2.136 318 HB2 SER 39 2HB SER 39 -9.563 -3.732 2.465 319 HB3 SER 39 1HB SER 39 -11.202 -3.182 2.636 320 HG SER 39 HG SER 39 -11.161 -5.174 4.183 321 H PHE 40 H PHE 40 -8.902 -4.587 0.383 322 HA PHE 40 HA PHE 40 -10.407 -3.357 -1.812 323 HB2 PHE 40 2HB PHE 40 -7.524 -3.531 -1.085 324 HB3 PHE 40 1HB PHE 40 -8.083 -2.814 -2.606 325 HD1 PHE 40 HD2 PHE 40 -9.950 -1.073 -2.349 326 HD2 PHE 40 HD1 PHE 40 -7.401 -2.126 0.884 327 HE1 PHE 40 HE2 PHE 40 -10.524 1.040 -1.198 328 HE2 PHE 40 HE1 PHE 40 -7.973 -0.046 2.018 329 HZ PHE 40 HZ PHE 40 -9.530 1.542 0.990 330 H LEU 41 H LEU 41 -8.094 -6.042 -1.450 331 HA LEU 41 HA LEU 41 -8.350 -6.815 -4.177 332 HB2 LEU 41 2HB LEU 41 -6.818 -7.664 -1.799 333 HB3 LEU 41 1HB LEU 41 -6.866 -8.667 -3.226 334 HG LEU 41 HG LEU 41 -5.803 -6.908 -4.473 335 HD11 LEU 41 1HD1 LEU 41 -4.872 -4.995 -3.389 336 HD12 LEU 41 2HD1 LEU 41 -5.699 -5.488 -1.877 337 HD13 LEU 41 3HD1 LEU 41 -6.646 -5.068 -3.320 338 HD21 LEU 41 3HD2 LEU 41 -4.463 -7.772 -1.936 339 HD22 LEU 41 1HD2 LEU 41 -3.623 -7.036 -3.303 340 HD23 LEU 41 2HD2 LEU 41 -4.444 -8.574 -3.510 341 HA PRO 42 HA PRO 42 -10.883 -10.352 -2.893 342 HB2 PRO 42 2HB PRO 42 -11.142 -11.160 -5.600 343 HB3 PRO 42 1HB PRO 42 -12.337 -10.266 -4.665 344 HG2 PRO 42 2HG PRO 42 -10.908 -9.284 -6.877 345 HG3 PRO 42 1HG PRO 42 -11.835 -8.315 -5.725 346 HD2 PRO 42 2HD PRO 42 -8.893 -8.780 -5.873 347 HD3 PRO 42 1HD PRO 42 -9.788 -7.356 -5.311 348 H THR 43 H THR 43 -7.971 -9.984 -4.555 349 HA THR 43 HA THR 43 -7.311 -12.833 -4.826 350 HB THR 43 HB THR 43 -5.684 -11.857 -6.486 351 HG1 THR 43 HG1 THR 43 -6.516 -9.596 -7.095 352 HG21 THR 43 3HG2 THR 43 -8.599 -11.323 -6.708 353 HG22 THR 43 1HG2 THR 43 -7.809 -12.826 -7.154 354 HG23 THR 43 2HG2 THR 43 -7.521 -11.355 -8.125 355 H MET 44 H MET 44 -7.056 -11.136 -2.468 356 HA MET 44 HA MET 44 -4.427 -10.096 -2.173 357 HB2 MET 44 2HB MET 44 -4.841 -9.697 0.152 358 HB3 MET 44 1HB MET 44 -6.223 -9.210 -0.796 359 HG2 MET 44 2HG MET 44 -5.917 -11.695 0.731 360 HG3 MET 44 1HG MET 44 -6.789 -10.294 1.333 361 HE1 MET 44 3HE MET 44 -9.745 -12.782 0.759 362 HE2 MET 44 1HE MET 44 -8.977 -11.648 1.871 363 HE3 MET 44 2HE MET 44 -8.139 -13.126 1.400 364 H ASP 45 H ASP 45 -2.831 -11.228 -2.708 365 HA ASP 45 HA ASP 45 -2.180 -13.719 -1.302 366 HB2 ASP 45 2HB ASP 45 -0.222 -12.085 -2.976 367 HB3 ASP 45 1HB ASP 45 -0.104 -13.766 -2.525 368 H LEU 46 H LEU 46 -2.474 -12.688 0.673 369 HA LEU 46 HA LEU 46 -0.326 -10.890 1.455 370 HB2 LEU 46 2HB LEU 46 -1.604 -10.533 3.512 371 HB3 LEU 46 1HB LEU 46 -2.475 -10.100 2.053 372 HG LEU 46 HG LEU 46 -3.530 -12.495 2.362 373 HD11 LEU 46 1HD1 LEU 46 -2.758 -11.857 5.198 374 HD12 LEU 46 2HD1 LEU 46 -2.151 -13.186 4.217 375 HD13 LEU 46 3HD1 LEU 46 -3.850 -13.143 4.676 376 HD21 LEU 46 3HD2 LEU 46 -5.353 -11.484 3.640 377 HD22 LEU 46 1HD2 LEU 46 -4.776 -10.439 2.352 378 HD23 LEU 46 2HD2 LEU 46 -4.325 -10.102 4.011 379 H ASP 47 H ASP 47 -1.366 -14.073 1.837 380 HA ASP 47 HA ASP 47 0.547 -14.485 4.001 381 HB2 ASP 47 2HB ASP 47 -1.773 -15.249 4.458 382 HB3 ASP 47 1HB ASP 47 -1.672 -16.326 3.073 383 H CYS 48 H CYS 48 0.583 -14.450 0.877 384 HA CYS 48 HA CYS 48 1.921 -16.953 0.379 385 HB2 CYS 48 2HB CYS 48 1.627 -14.546 -1.424 386 HB3 CYS 48 1HB CYS 48 2.220 -16.135 -1.910 387 HG CYS 48 HG CYS 48 -0.049 -17.333 -2.175 388 H SER 49 H SER 49 3.401 -16.675 2.036 389 HA SER 49 HA SER 49 5.420 -14.634 1.693 390 HB2 SER 49 2HB SER 49 4.438 -15.064 3.963 391 HB3 SER 49 1HB SER 49 5.092 -16.697 3.892 392 HG SER 49 HG SER 49 6.703 -14.428 3.537 393 H TYR 50 H TYR 50 6.111 -15.467 -0.247 394 HA TYR 50 HA TYR 50 7.745 -17.799 -0.097 395 HB2 TYR 50 2HB TYR 50 8.733 -16.603 -2.252 396 HB3 TYR 50 1HB TYR 50 7.251 -17.566 -2.327 397 HD1 TYR 50 HD1 TYR 50 8.417 -14.023 -1.827 398 HD2 TYR 50 HD2 TYR 50 5.406 -16.582 -3.376 399 HE1 TYR 50 HE1 TYR 50 7.362 -12.103 -2.981 400 HE2 TYR 50 HE2 TYR 50 4.338 -14.681 -4.480 401 HH TYR 50 HH TYR 50 5.907 -11.722 -4.898 402 H GLU 51 H GLU 51 7.960 -14.580 0.422 403 HA GLU 51 HA GLU 51 10.620 -14.713 1.484 404 HB2 GLU 51 2HB GLU 51 9.193 -12.761 -0.260 405 HB3 GLU 51 1HB GLU 51 10.563 -12.327 0.719 406 HG2 GLU 51 2HG GLU 51 11.960 -13.873 -0.545 407 HG3 GLU 51 1HG GLU 51 10.548 -14.425 -1.448 408 HA PRO 52 HA PRO 52 8.284 -12.838 4.942 409 HB2 PRO 52 2HB PRO 52 10.442 -10.848 5.234 410 HB3 PRO 52 1HB PRO 52 9.877 -12.061 6.386 411 HG2 PRO 52 2HG PRO 52 12.211 -12.258 5.169 412 HG3 PRO 52 1HG PRO 52 11.220 -13.689 5.523 413 HD2 PRO 52 2HD PRO 52 11.610 -12.229 2.934 414 HD3 PRO 52 1HD PRO 52 11.510 -13.979 3.235 415 H SER 53 H SER 53 8.855 -10.056 5.635 416 HA SER 53 HA SER 53 6.855 -8.725 4.064 417 HB2 SER 53 2HB SER 53 8.678 -7.617 6.211 418 HB3 SER 53 1HB SER 53 7.096 -6.998 5.730 419 HG SER 53 HG SER 53 6.262 -9.087 6.379 420 H ASN 54 H ASN 54 9.021 -9.454 2.509 421 HA ASN 54 HA ASN 54 11.106 -7.631 2.084 422 HB2 ASN 54 2HB ASN 54 9.927 -9.982 0.779 423 HB3 ASN 54 1HB ASN 54 11.040 -9.037 -0.175 424 HD21 ASN 54 1HD2 ASN 54 12.528 -10.865 -0.133 425 HD22 ASN 54 2HD2 ASN 54 13.403 -11.239 1.305 426 HA PRO 55 HA PRO 55 9.551 -4.322 -0.344 427 HB2 PRO 55 2HB PRO 55 11.411 -4.271 -2.413 428 HB3 PRO 55 1HB PRO 55 11.610 -3.502 -0.838 429 HG2 PRO 55 2HG PRO 55 12.613 -6.148 -1.797 430 HG3 PRO 55 1HG PRO 55 13.431 -4.936 -0.791 431 HD2 PRO 55 2HD PRO 55 12.404 -7.125 0.307 432 HD3 PRO 55 1HD PRO 55 12.247 -5.556 1.125 433 H GLU 56 H GLU 56 10.454 -7.144 -2.346 434 HA GLU 56 HA GLU 56 8.804 -6.281 -4.520 435 HB2 GLU 56 2HB GLU 56 10.085 -8.939 -3.954 436 HB3 GLU 56 1HB GLU 56 9.340 -8.484 -5.486 437 HG2 GLU 56 2HG GLU 56 10.955 -6.748 -5.816 438 HG3 GLU 56 1HG GLU 56 11.642 -7.029 -4.225 439 H VAL 57 H VAL 57 8.449 -8.271 -1.761 440 HA VAL 57 HA VAL 57 6.051 -9.595 -2.433 441 HB VAL 57 HB VAL 57 7.191 -8.830 0.280 442 HG11 VAL 57 1HG1 VAL 57 4.794 -9.349 0.450 443 HG12 VAL 57 2HG1 VAL 57 5.791 -10.605 1.200 444 HG13 VAL 57 3HG1 VAL 57 5.076 -10.881 -0.391 445 HG21 VAL 57 3HG2 VAL 57 8.040 -11.056 0.384 446 HG22 VAL 57 1HG2 VAL 57 8.636 -10.268 -1.074 447 HG23 VAL 57 2HG2 VAL 57 7.320 -11.454 -1.167 448 H ILE 58 H ILE 58 6.797 -6.782 -0.494 449 HA ILE 58 HA ILE 58 4.222 -5.836 -0.012 450 HB ILE 58 HB ILE 58 6.828 -4.308 -0.256 451 HG12 ILE 58 2HG1 ILE 58 6.900 -6.008 1.489 452 HG13 ILE 58 1HG1 ILE 58 6.858 -4.390 2.177 453 HG21 ILE 58 1HG2 ILE 58 4.217 -3.396 0.932 454 HG22 ILE 58 2HG2 ILE 58 5.037 -2.717 -0.480 455 HG23 ILE 58 3HG2 ILE 58 5.759 -2.572 1.126 456 HD11 ILE 58 3HD1 ILE 58 4.535 -6.304 2.027 457 HD12 ILE 58 1HD1 ILE 58 4.491 -4.670 2.697 458 HD13 ILE 58 2HD1 ILE 58 5.484 -5.906 3.459 459 H HIS 59 H HIS 59 6.472 -5.191 -2.664 460 HA HIS 59 HA HIS 59 5.007 -3.273 -4.063 461 HB2 HIS 59 2HB HIS 59 7.368 -3.805 -4.650 462 HB3 HIS 59 1HB HIS 59 6.877 -5.386 -5.189 463 HD1 HIS 59 HD1 HIS 59 6.920 -5.503 -7.651 464 HD2 HIS 59 HD2 HIS 59 5.738 -1.737 -6.377 465 HE1 HIS 59 HE1 HIS 59 6.501 -4.194 -9.733 466 HE2 HIS 59 HE2 HIS 59 6.160 -1.862 -8.926 467 H ARG 60 H ARG 60 4.769 -6.772 -4.234 468 HA ARG 60 HA ARG 60 2.952 -6.986 -6.350 469 HB2 ARG 60 2HB ARG 60 4.156 -8.868 -5.427 470 HB3 ARG 60 1HB ARG 60 3.348 -8.667 -3.885 471 HG2 ARG 60 2HG ARG 60 1.223 -9.192 -4.924 472 HG3 ARG 60 1HG ARG 60 2.052 -9.445 -6.476 473 HD2 ARG 60 2HD ARG 60 3.440 -11.164 -5.336 474 HD3 ARG 60 1HD ARG 60 2.425 -10.974 -3.911 475 HE ARG 60 HE ARG 60 0.539 -11.670 -5.460 476 HH11 ARG 60 1HH1 ARG 60 3.879 -12.829 -5.764 477 HH12 ARG 60 2HH1 ARG 60 3.462 -14.200 -6.670 478 HH21 ARG 60 1HH2 ARG 60 -0.047 -13.583 -6.621 479 HH22 ARG 60 2HH2 ARG 60 1.174 -14.654 -7.131 480 H GLN 61 H GLN 61 2.526 -6.519 -2.941 481 HA GLN 61 HA GLN 61 -0.284 -6.922 -2.888 482 HB2 GLN 61 2HB GLN 61 1.548 -5.632 -0.889 483 HB3 GLN 61 1HB GLN 61 -0.093 -6.210 -0.581 484 HG2 GLN 61 2HG GLN 61 0.566 -8.387 -1.299 485 HG3 GLN 61 1HG GLN 61 2.215 -7.884 -1.503 486 HE21 GLN 61 1HE2 GLN 61 1.187 -9.954 0.264 487 HE22 GLN 61 2HE2 GLN 61 1.687 -9.494 1.859 488 H LEU 62 H LEU 62 1.760 -4.172 -2.893 489 HA LEU 62 HA LEU 62 -0.457 -2.326 -2.735 490 HB2 LEU 62 2HB LEU 62 2.480 -1.912 -3.163 491 HB3 LEU 62 1HB LEU 62 1.380 -0.572 -3.382 492 HG LEU 62 HG LEU 62 2.458 -0.478 -1.176 493 HD11 LEU 62 1HD1 LEU 62 -0.450 -1.168 -0.911 494 HD12 LEU 62 2HD1 LEU 62 0.217 0.413 -1.317 495 HD13 LEU 62 3HD1 LEU 62 0.524 -0.293 0.266 496 HD21 LEU 62 3HD2 LEU 62 2.021 -2.128 0.552 497 HD22 LEU 62 1HD2 LEU 62 2.853 -2.855 -0.821 498 HD23 LEU 62 2HD2 LEU 62 1.124 -3.110 -0.605 499 H ASN 63 H ASN 63 1.443 -3.697 -5.310 500 HA ASN 63 HA ASN 63 0.743 -2.369 -7.591 501 HB2 ASN 63 2HB ASN 63 2.265 -4.282 -7.395 502 HB3 ASN 63 1HB ASN 63 0.896 -5.265 -6.923 503 HD21 ASN 63 1HD2 ASN 63 2.311 -3.595 -9.586 504 HD22 ASN 63 2HD2 ASN 63 1.435 -4.525 -10.759 505 H ARG 64 H ARG 64 -0.842 -4.971 -5.984 506 HA ARG 64 HA ARG 64 -3.023 -5.482 -7.528 507 HB2 ARG 64 2HB ARG 64 -2.586 -5.645 -4.607 508 HB3 ARG 64 1HB ARG 64 -4.082 -6.174 -5.344 509 HG2 ARG 64 2HG ARG 64 -1.419 -7.242 -6.185 510 HG3 ARG 64 1HG ARG 64 -2.331 -7.920 -4.834 511 HD2 ARG 64 2HD ARG 64 -4.245 -8.081 -6.453 512 HD3 ARG 64 1HD ARG 64 -3.059 -7.820 -7.743 513 HE ARG 64 HE ARG 64 -2.299 -9.834 -5.877 514 HH11 ARG 64 1HH1 ARG 64 -4.099 -9.319 -8.887 515 HH12 ARG 64 2HH1 ARG 64 -4.085 -10.957 -9.333 516 HH21 ARG 64 1HH2 ARG 64 -2.308 -12.090 -6.470 517 HH22 ARG 64 2HH2 ARG 64 -3.012 -12.568 -7.942 518 H LEU 65 H LEU 65 -2.651 -2.966 -5.083 519 HA LEU 65 HA LEU 65 -5.405 -2.287 -4.840 520 HB2 LEU 65 2HB LEU 65 -2.940 -0.671 -4.355 521 HB3 LEU 65 1HB LEU 65 -4.558 -0.181 -3.873 522 HG LEU 65 HG LEU 65 -3.078 -2.604 -2.840 523 HD11 LEU 65 1HD1 LEU 65 -3.722 0.040 -1.646 524 HD12 LEU 65 2HD1 LEU 65 -2.111 -0.471 -2.165 525 HD13 LEU 65 3HD1 LEU 65 -2.917 -1.281 -0.805 526 HD21 LEU 65 3HD2 LEU 65 -5.500 -2.881 -2.804 527 HD22 LEU 65 1HD2 LEU 65 -5.665 -1.321 -1.997 528 HD23 LEU 65 2HD2 LEU 65 -4.856 -2.656 -1.181 529 H PHE 66 H PHE 66 -2.786 -1.086 -6.840 530 HA PHE 66 HA PHE 66 -4.313 0.945 -8.104 531 HB2 PHE 66 2HB PHE 66 -1.842 0.939 -8.152 532 HB3 PHE 66 1HB PHE 66 -1.861 -0.545 -9.097 533 HD1 PHE 66 HD2 PHE 66 -2.801 3.032 -9.158 534 HD2 PHE 66 HD1 PHE 66 -2.042 -0.473 -11.445 535 HE1 PHE 66 HE2 PHE 66 -2.857 4.365 -11.222 536 HE2 PHE 66 HE1 PHE 66 -2.099 0.858 -13.508 537 HZ PHE 66 HZ PHE 66 -2.508 3.281 -13.394 538 H ALA 67 H ALA 67 -3.789 -2.443 -8.638 539 HA ALA 67 HA ALA 67 -5.089 -2.626 -11.142 540 HB1 ALA 67 3HB ALA 67 -3.523 -4.326 -10.344 541 HB2 ALA 67 1HB ALA 67 -5.087 -5.025 -10.771 542 HB3 ALA 67 2HB ALA 67 -4.664 -4.776 -9.076 543 H GLN 68 H GLN 68 -6.346 -2.334 -7.863 544 HA GLN 68 HA GLN 68 -8.907 -3.302 -8.556 545 HB2 GLN 68 2HB GLN 68 -7.846 -1.584 -6.341 546 HB3 GLN 68 1HB GLN 68 -9.520 -2.003 -6.473 547 HG2 GLN 68 2HG GLN 68 -7.289 -3.495 -5.271 548 HG3 GLN 68 1HG GLN 68 -8.970 -3.569 -5.025 549 HE21 GLN 68 1HE2 GLN 68 -6.464 -4.932 -6.978 550 HE22 GLN 68 2HE2 GLN 68 -7.376 -6.292 -7.535 551 H GLY 69 H GLY 69 -7.350 -0.212 -7.900 552 HA2 GLY 69 2HA GLY 69 -8.864 1.341 -9.872 553 HA3 GLY 69 1HA GLY 69 -9.298 1.530 -8.214 554 H MET 70 H MET 70 -7.650 2.993 -10.411 555 HA MET 70 HA MET 70 -5.276 3.754 -9.042 556 HB2 MET 70 2HB MET 70 -5.761 4.373 -11.410 557 HB3 MET 70 1HB MET 70 -7.075 5.404 -10.862 558 HG2 MET 70 2HG MET 70 -5.391 6.749 -9.597 559 HG3 MET 70 1HG MET 70 -4.127 5.788 -10.349 560 HE1 MET 70 3HE MET 70 -4.667 6.698 -14.165 561 HE2 MET 70 1HE MET 70 -5.407 5.360 -13.288 562 HE3 MET 70 2HE MET 70 -3.708 5.754 -13.028 563 H ALA 71 H ALA 71 -8.599 4.470 -8.884 564 HA ALA 71 HA ALA 71 -8.499 6.669 -7.031 565 HB1 ALA 71 3HB ALA 71 -10.360 6.413 -8.561 566 HB2 ALA 71 1HB ALA 71 -10.953 6.243 -6.900 567 HB3 ALA 71 2HB ALA 71 -10.684 4.808 -7.921 568 H THR 72 H THR 72 -8.929 3.151 -6.892 569 HA THR 72 HA THR 72 -9.534 2.878 -4.200 570 HB THR 72 HB THR 72 -8.136 1.042 -6.171 571 HG1 THR 72 HG1 THR 72 -10.460 0.104 -5.435 572 HG21 THR 72 3HG2 THR 72 -9.062 0.419 -3.343 573 HG22 THR 72 1HG2 THR 72 -7.426 0.268 -3.934 574 HG23 THR 72 2HG2 THR 72 -8.704 -0.837 -4.473 575 H TRP 73 H TRP 73 -6.457 3.226 -5.879 576 HA TRP 73 HA TRP 73 -4.758 2.797 -3.698 577 HB2 TRP 73 2HB TRP 73 -3.948 2.895 -6.033 578 HB3 TRP 73 1HB TRP 73 -4.355 4.606 -6.104 579 HD1 TRP 73 HD1 TRP 73 -2.557 6.276 -5.264 580 HE1 TRP 73 HE1 TRP 73 -0.225 6.033 -4.172 581 HE3 TRP 73 HE3 TRP 73 -2.582 1.282 -4.428 582 HZ2 TRP 73 HZ2 TRP 73 1.368 3.993 -3.112 583 HZ3 TRP 73 HZ3 TRP 73 -0.616 0.249 -3.384 584 HH2 TRP 73 HH2 TRP 73 1.320 1.585 -2.743 585 H LYS 74 H LYS 74 -6.005 5.875 -5.043 586 HA LYS 74 HA LYS 74 -5.096 7.657 -3.227 587 HB2 LYS 74 2HB LYS 74 -7.795 7.687 -4.616 588 HB3 LYS 74 1HB LYS 74 -6.949 9.099 -3.983 589 HG2 LYS 74 2HG LYS 74 -5.156 8.686 -5.578 590 HG3 LYS 74 1HG LYS 74 -6.042 7.303 -6.186 591 HD2 LYS 74 2HD LYS 74 -7.870 8.772 -6.858 592 HD3 LYS 74 1HD LYS 74 -6.968 10.157 -6.218 593 HE2 LYS 74 2HE LYS 74 -5.171 9.749 -7.716 594 HE3 LYS 74 1HE LYS 74 -5.956 8.280 -8.306 595 HZ1 LYS 74 3HZ LYS 74 -6.234 10.138 -9.842 596 HZ2 LYS 74 1HZ LYS 74 -7.005 11.050 -8.660 597 HZ3 LYS 74 2HZ LYS 74 -7.722 9.649 -9.230 598 H SER 75 H SER 75 -8.158 5.731 -2.947 599 HA SER 75 HA SER 75 -8.945 6.857 -0.590 600 HB2 SER 75 2HB SER 75 -9.555 4.306 -2.032 601 HB3 SER 75 1HB SER 75 -10.458 4.929 -0.656 602 HG SER 75 HG SER 75 -10.695 6.869 -1.876 603 H PHE 76 H PHE 76 -7.161 3.865 -1.367 604 HA PHE 76 HA PHE 76 -6.980 2.723 1.160 605 HB2 PHE 76 2HB PHE 76 -6.268 1.521 -0.845 606 HB3 PHE 76 1HB PHE 76 -4.991 2.687 -1.112 607 HD1 PHE 76 HD2 PHE 76 -6.058 -0.105 1.031 608 HD2 PHE 76 HD1 PHE 76 -2.916 2.600 0.086 609 HE1 PHE 76 HE2 PHE 76 -4.496 -1.452 2.360 610 HE2 PHE 76 HE1 PHE 76 -1.350 1.256 1.418 611 HZ PHE 76 HZ PHE 76 -2.145 -0.772 2.558 612 H ILE 77 H ILE 77 -4.883 5.042 -0.439 613 HA ILE 77 HA ILE 77 -2.964 5.136 1.588 614 HB ILE 77 HB ILE 77 -3.613 7.159 -0.560 615 HG12 ILE 77 2HG1 ILE 77 -2.857 4.967 -1.393 616 HG13 ILE 77 1HG1 ILE 77 -1.677 6.229 -1.716 617 HG21 ILE 77 1HG2 ILE 77 -1.123 7.013 1.128 618 HG22 ILE 77 2HG2 ILE 77 -2.452 8.140 1.381 619 HG23 ILE 77 3HG2 ILE 77 -1.538 8.191 -0.130 620 HD11 ILE 77 3HD1 ILE 77 -1.508 4.160 0.479 621 HD12 ILE 77 1HD1 ILE 77 -0.332 5.440 0.179 622 HD13 ILE 77 2HD1 ILE 77 -0.589 4.180 -1.022 623 H ASN 78 H ASN 78 -5.975 6.876 1.193 624 HA ASN 78 HA ASN 78 -5.481 8.774 3.235 625 HB2 ASN 78 2HB ASN 78 -7.349 9.109 1.679 626 HB3 ASN 78 1HB ASN 78 -8.127 7.646 2.266 627 HD21 ASN 78 1HD2 ASN 78 -7.346 10.990 3.016 628 HD22 ASN 78 2HD2 ASN 78 -8.412 11.119 4.353 629 H ASP 79 H ASP 79 -6.844 5.518 3.254 630 HA ASP 79 HA ASP 79 -7.369 5.448 6.039 631 HB2 ASP 79 2HB ASP 79 -6.806 3.109 4.183 632 HB3 ASP 79 1HB ASP 79 -7.363 3.045 5.850 633 H LEU 80 H LEU 80 -4.710 4.483 4.058 634 HA LEU 80 HA LEU 80 -2.923 3.275 5.777 635 HB2 LEU 80 2HB LEU 80 -2.765 3.575 3.357 636 HB3 LEU 80 1HB LEU 80 -2.596 5.255 3.612 637 HG LEU 80 HG LEU 80 -0.537 4.206 2.798 638 HD11 LEU 80 1HD1 LEU 80 1.103 5.072 4.361 639 HD12 LEU 80 2HD1 LEU 80 -0.169 5.299 5.562 640 HD13 LEU 80 3HD1 LEU 80 -0.204 6.214 4.056 641 HD21 LEU 80 3HD2 LEU 80 -0.914 2.104 3.761 642 HD22 LEU 80 1HD2 LEU 80 -0.599 2.757 5.367 643 HD23 LEU 80 2HD2 LEU 80 0.715 2.709 4.153 644 H CYS 81 H CYS 81 -3.148 6.711 5.036 645 HA CYS 81 HA CYS 81 -1.254 7.601 6.928 646 HB2 CYS 81 2HB CYS 81 -3.550 9.161 5.722 647 HB3 CYS 81 1HB CYS 81 -2.131 9.846 6.504 648 HG CYS 81 HG CYS 81 -2.395 8.291 3.530 649 H PHE 82 H PHE 82 -4.718 7.080 7.156 650 HA PHE 82 HA PHE 82 -5.086 8.396 9.666 651 HB2 PHE 82 2HB PHE 82 -6.883 8.064 7.913 652 HB3 PHE 82 1HB PHE 82 -6.837 6.371 8.306 653 HD1 PHE 82 HD1 PHE 82 -7.395 9.651 9.948 654 HD2 PHE 82 HD2 PHE 82 -8.228 5.484 9.923 655 HE1 PHE 82 HE1 PHE 82 -9.051 9.976 11.742 656 HE2 PHE 82 HE2 PHE 82 -9.883 5.797 11.717 657 HZ PHE 82 HZ PHE 82 -10.296 8.050 12.627 658 H GLU 83 H GLU 83 -5.020 5.010 8.645 659 HA GLU 83 HA GLU 83 -5.642 4.026 11.239 660 HB2 GLU 83 2HB GLU 83 -4.731 2.465 8.846 661 HB3 GLU 83 1HB GLU 83 -5.533 1.839 10.275 662 HG2 GLU 83 2HG GLU 83 -7.445 3.438 9.614 663 HG3 GLU 83 1HG GLU 83 -6.632 3.518 8.075 664 H LEU 84 H LEU 84 -2.654 4.625 9.611 665 HA LEU 84 HA LEU 84 -1.327 2.784 11.341 666 HB2 LEU 84 2HB LEU 84 -0.192 4.754 9.375 667 HB3 LEU 84 1HB LEU 84 0.789 3.667 10.346 668 HG LEU 84 HG LEU 84 -1.291 2.790 8.329 669 HD11 LEU 84 1HD1 LEU 84 0.668 3.743 7.256 670 HD12 LEU 84 2HD1 LEU 84 0.609 1.987 7.042 671 HD13 LEU 84 3HD1 LEU 84 1.693 2.691 8.235 672 HD21 LEU 84 3HD2 LEU 84 -1.113 1.177 10.137 673 HD22 LEU 84 1HD2 LEU 84 0.648 1.190 9.995 674 HD23 LEU 84 2HD2 LEU 84 -0.341 0.553 8.686 675 H ASP 85 H ASP 85 -1.645 6.291 11.241 676 HA ASP 85 HA ASP 85 -1.758 6.394 13.971 677 HB2 ASP 85 2HB ASP 85 0.311 7.684 14.607 678 HB3 ASP 85 1HB ASP 85 0.619 6.014 14.196 679 H VAL 86 H VAL 86 -0.099 8.931 12.215 680 HA VAL 86 HA VAL 86 -2.549 10.567 12.263 681 HB VAL 86 HB VAL 86 0.316 11.423 12.909 682 HG11 VAL 86 1HG1 VAL 86 -2.200 13.078 13.032 683 HG12 VAL 86 2HG1 VAL 86 -0.923 13.220 11.822 684 HG13 VAL 86 3HG1 VAL 86 -0.587 13.605 13.510 685 HG21 VAL 86 3HG2 VAL 86 -0.636 10.156 14.740 686 HG22 VAL 86 1HG2 VAL 86 -2.042 11.215 14.763 687 HG23 VAL 86 2HG2 VAL 86 -0.452 11.854 15.189 688 HA PRO 87 HA PRO 87 -1.726 11.315 7.840 689 HB2 PRO 87 2HB PRO 87 -1.761 14.141 8.849 690 HB3 PRO 87 1HB PRO 87 -2.464 13.484 7.365 691 HG2 PRO 87 2HG PRO 87 -3.970 13.928 9.525 692 HG3 PRO 87 1HG PRO 87 -4.257 12.530 8.479 693 HD2 PRO 87 2HD PRO 87 -3.173 12.622 11.215 694 HD3 PRO 87 1HD PRO 87 -3.890 11.263 10.332 695 H LEU 88 H LEU 88 0.269 10.746 7.397 696 HA LEU 88 HA LEU 88 2.561 11.920 8.573 697 HB2 LEU 88 2HB LEU 88 3.733 10.406 6.769 698 HB3 LEU 88 1HB LEU 88 2.999 9.728 8.205 699 HG LEU 88 HG LEU 88 0.965 9.209 6.811 700 HD11 LEU 88 1HD1 LEU 88 2.762 9.838 4.495 701 HD12 LEU 88 2HD1 LEU 88 1.333 10.757 4.995 702 HD13 LEU 88 3HD1 LEU 88 1.155 9.095 4.437 703 HD21 LEU 88 3HD2 LEU 88 2.538 7.492 7.408 704 HD22 LEU 88 1HD2 LEU 88 3.567 7.919 6.042 705 HD23 LEU 88 2HD2 LEU 88 1.964 7.239 5.761 706 H ASP 89 H ASP 89 0.731 12.758 5.943 707 HA ASP 89 HA ASP 89 2.140 15.158 5.545 708 HB2 ASP 89 2HB ASP 89 3.574 13.657 4.075 709 HB3 ASP 89 1HB ASP 89 2.151 13.224 3.151 710 H MET 90 H MET 90 0.463 13.217 3.204 711 HA MET 90 HA MET 90 -2.186 13.810 3.813 712 HB2 MET 90 2HB MET 90 -0.856 15.211 1.441 713 HB3 MET 90 1HB MET 90 -2.576 14.888 1.494 714 HG2 MET 90 2HG MET 90 -1.106 16.601 3.489 715 HG3 MET 90 1HG MET 90 -1.949 17.221 2.072 716 HE1 MET 90 3HE MET 90 -4.215 18.208 5.197 717 HE2 MET 90 1HE MET 90 -3.220 18.836 3.885 718 HE3 MET 90 2HE MET 90 -2.462 18.020 5.253 719 H GLU 91 H GLU 91 -3.415 12.624 2.002 720 HA GLU 91 HA GLU 91 -1.947 10.223 1.491 721 HB2 GLU 91 2HB GLU 91 -3.999 9.400 0.423 722 HB3 GLU 91 1HB GLU 91 -4.323 10.063 2.015 723 HG2 GLU 91 2HG GLU 91 -4.804 11.612 -0.521 724 HG3 GLU 91 1HG GLU 91 -6.010 10.528 0.160 725 H ILE 92 H ILE 92 -2.991 12.917 -0.391 726 HA ILE 92 HA ILE 92 -2.874 11.935 -3.020 727 HB ILE 92 HB ILE 92 -2.462 14.658 -1.791 728 HG12 ILE 92 2HG1 ILE 92 -4.698 13.773 -1.517 729 HG13 ILE 92 1HG1 ILE 92 -4.715 15.156 -2.601 730 HG21 ILE 92 1HG2 ILE 92 -2.694 14.112 -4.708 731 HG22 ILE 92 2HG2 ILE 92 -1.294 14.725 -3.814 732 HG23 ILE 92 3HG2 ILE 92 -2.761 15.707 -3.938 733 HD11 ILE 92 3HD1 ILE 92 -4.824 13.612 -4.512 734 HD12 ILE 92 1HD1 ILE 92 -6.190 13.442 -3.408 735 HD13 ILE 92 2HD1 ILE 92 -4.890 12.260 -3.377 736 HA PRO 93 HA PRO 93 1.879 13.333 -3.329 737 HB2 PRO 93 2HB PRO 93 2.579 12.408 -0.586 738 HB3 PRO 93 1HB PRO 93 3.282 13.723 -1.527 739 HG2 PRO 93 2HG PRO 93 1.603 14.224 0.507 740 HG3 PRO 93 1HG PRO 93 1.577 15.206 -0.960 741 HD2 PRO 93 2HD PRO 93 -0.367 13.190 -0.062 742 HD3 PRO 93 1HD PRO 93 -0.559 14.640 -1.050 743 H LEU 94 H LEU 94 0.799 10.865 -1.102 744 HA LEU 94 HA LEU 94 2.539 8.780 -2.000 745 HB2 LEU 94 2HB LEU 94 0.146 8.955 -0.233 746 HB3 LEU 94 1HB LEU 94 0.869 7.399 -0.592 747 HG LEU 94 HG LEU 94 1.334 8.246 1.606 748 HD11 LEU 94 1HD1 LEU 94 3.793 8.201 -0.159 749 HD12 LEU 94 2HD1 LEU 94 3.009 6.805 0.585 750 HD13 LEU 94 3HD1 LEU 94 3.819 8.006 1.594 751 HD21 LEU 94 3HD2 LEU 94 2.832 10.170 2.007 752 HD22 LEU 94 1HD2 LEU 94 1.306 10.636 1.252 753 HD23 LEU 94 2HD2 LEU 94 2.779 10.535 0.283 754 H VAL 95 H VAL 95 -0.816 9.840 -2.657 755 HA VAL 95 HA VAL 95 -1.585 7.564 -4.028 756 HB VAL 95 HB VAL 95 -3.411 8.569 -4.517 757 HG11 VAL 95 1HG1 VAL 95 -2.851 10.053 -2.149 758 HG12 VAL 95 2HG1 VAL 95 -3.523 8.453 -2.364 759 HG13 VAL 95 3HG1 VAL 95 -4.439 9.872 -2.899 760 HG21 VAL 95 3HG2 VAL 95 -2.973 10.172 -6.065 761 HG22 VAL 95 1HG2 VAL 95 -2.293 11.298 -4.871 762 HG23 VAL 95 2HG2 VAL 95 -4.032 10.894 -4.871 763 H SER 96 H SER 96 0.045 10.304 -4.838 764 HA SER 96 HA SER 96 0.023 10.095 -7.705 765 HB2 SER 96 2HB SER 96 0.246 12.180 -6.327 766 HB3 SER 96 1HB SER 96 1.913 11.711 -6.046 767 HG SER 96 HG SER 96 1.466 13.146 -7.896 768 H ILE 97 H ILE 97 1.504 8.185 -5.598 769 HA ILE 97 HA ILE 97 4.205 8.120 -6.371 770 HB ILE 97 HB ILE 97 3.147 6.958 -4.372 771 HG12 ILE 97 2HG1 ILE 97 4.940 5.218 -6.051 772 HG13 ILE 97 1HG1 ILE 97 5.492 6.592 -5.091 773 HG21 ILE 97 1HG2 ILE 97 1.339 5.801 -5.479 774 HG22 ILE 97 2HG2 ILE 97 2.417 4.617 -4.729 775 HG23 ILE 97 3HG2 ILE 97 2.484 4.898 -6.466 776 HD11 ILE 97 3HD1 ILE 97 5.847 4.497 -3.936 777 HD12 ILE 97 1HD1 ILE 97 4.121 4.148 -4.034 778 HD13 ILE 97 2HD1 ILE 97 4.695 5.515 -3.074 779 H TRP 98 H TRP 98 1.355 6.831 -7.879 780 HA TRP 98 HA TRP 98 2.603 6.660 -10.349 781 HB2 TRP 98 2HB TRP 98 1.822 4.274 -10.821 782 HB3 TRP 98 1HB TRP 98 3.242 4.403 -9.805 783 HD1 TRP 98 HD1 TRP 98 -0.551 4.353 -8.834 784 HE1 TRP 98 HE1 TRP 98 -0.876 2.503 -7.089 785 HE3 TRP 98 HE3 TRP 98 4.233 2.550 -8.662 786 HZ2 TRP 98 HZ2 TRP 98 0.679 0.512 -5.821 787 HZ3 TRP 98 HZ3 TRP 98 4.724 0.663 -7.160 788 HH2 TRP 98 HH2 TRP 98 2.983 -0.331 -5.772 789 H GLY 99 H GLY 99 0.877 6.201 -11.982 790 HA2 GLY 99 2HA GLY 99 -1.844 6.301 -11.255 791 HA3 GLY 99 1HA GLY 99 -1.223 7.927 -11.435 792 HA PRO 100 HA PRO 100 -2.452 7.535 -15.693 793 HB2 PRO 100 2HB PRO 100 -0.648 9.896 -15.904 794 HB3 PRO 100 1HB PRO 100 -2.313 9.708 -16.474 795 HG2 PRO 100 2HG PRO 100 -1.769 11.147 -14.299 796 HG3 PRO 100 1HG PRO 100 -3.210 10.114 -14.376 797 HD2 PRO 100 2HD PRO 100 -0.631 9.657 -12.932 798 HD3 PRO 100 1HD PRO 100 -2.291 9.238 -12.468 799 H ARG 101 H ARG 101 -1.459 5.851 -16.533 800 HA ARG 101 HA ARG 101 0.173 4.401 -16.916 801 HB2 ARG 101 2HB ARG 101 1.243 5.084 -19.242 802 HB3 ARG 101 1HB ARG 101 -0.431 4.620 -19.062 803 HG2 ARG 101 2HG ARG 101 -0.727 6.458 -20.358 804 HG3 ARG 101 1HG ARG 101 -0.740 7.248 -18.791 805 HD2 ARG 101 2HD ARG 101 1.671 7.009 -20.591 806 HD3 ARG 101 1HD ARG 101 0.600 8.394 -20.536 807 HE ARG 101 HE ARG 101 1.959 7.552 -18.103 808 HH11 ARG 101 1HH1 ARG 101 1.534 9.963 -20.657 809 HH12 ARG 101 2HH1 ARG 101 2.651 11.071 -20.000 810 HH21 ARG 101 1HH2 ARG 101 3.455 9.100 -17.169 811 HH22 ARG 101 2HH2 ARG 101 3.793 10.566 -17.960 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 -6.275 14.640 1.336 2 H2 GLY 1 2H GLY 1 -5.505 14.278 2.782 3 H3 GLY 1 3H GLY 1 -5.085 13.435 1.399 4 HA2 GLY 1 1HA GLY 1 -3.457 15.161 1.968 5 HA3 GLY 1 2HA GLY 1 -4.264 15.573 0.457 6 HA PRO 2 HA PRO 2 -5.263 18.732 3.862 7 HB2 PRO 2 2HB PRO 2 -2.895 20.245 3.947 8 HB3 PRO 2 1HB PRO 2 -3.434 19.077 5.149 9 HG2 PRO 2 2HG PRO 2 -1.178 18.827 3.482 10 HG3 PRO 2 1HG PRO 2 -1.911 17.546 4.458 11 HD2 PRO 2 2HD PRO 2 -2.212 18.129 1.552 12 HD3 PRO 2 1HD PRO 2 -2.201 16.570 2.401 13 H LEU 3 H LEU 3 -4.411 18.896 0.664 14 HA LEU 3 HA LEU 3 -4.641 21.798 0.509 15 HB2 LEU 3 2HB LEU 3 -3.720 19.773 -1.497 16 HB3 LEU 3 1HB LEU 3 -4.146 21.397 -1.971 17 HG LEU 3 HG LEU 3 -2.389 22.245 -0.413 18 HD11 LEU 3 1HD1 LEU 3 -2.197 20.380 1.091 19 HD12 LEU 3 2HD1 LEU 3 -0.644 20.709 0.312 20 HD13 LEU 3 3HD1 LEU 3 -1.636 19.351 -0.228 21 HD21 LEU 3 3HD2 LEU 3 -0.539 21.689 -1.876 22 HD22 LEU 3 1HD2 LEU 3 -2.020 22.060 -2.763 23 HD23 LEU 3 2HD2 LEU 3 -1.502 20.379 -2.579 24 H GLY 4 H GLY 4 -6.500 19.013 0.045 25 HA2 GLY 4 2HA GLY 4 -8.824 19.014 -0.342 26 HA3 GLY 4 1HA GLY 4 -8.684 20.639 -1.010 27 H SER 5 H SER 5 -9.823 18.033 -2.057 28 HA SER 5 HA SER 5 -10.094 16.992 -4.047 29 HB2 SER 5 2HB SER 5 -8.313 19.172 -5.196 30 HB3 SER 5 1HB SER 5 -9.419 18.147 -6.106 31 HG SER 5 HG SER 5 -10.996 19.139 -4.426 32 H MET 6 H MET 6 -8.396 16.381 -6.153 33 HA MET 6 HA MET 6 -6.080 15.191 -4.818 34 HB2 MET 6 2HB MET 6 -7.869 13.737 -5.293 35 HB3 MET 6 1HB MET 6 -7.758 14.006 -7.036 36 HG2 MET 6 2HG MET 6 -5.730 12.631 -5.208 37 HG3 MET 6 1HG MET 6 -6.762 11.883 -6.386 38 HE1 MET 6 3HE MET 6 -5.157 12.899 -9.795 39 HE2 MET 6 1HE MET 6 -6.519 13.671 -8.979 40 HE3 MET 6 2HE MET 6 -6.376 11.915 -8.982 41 H ASP 7 H ASP 7 -4.960 16.839 -5.390 42 HA ASP 7 HA ASP 7 -3.571 16.590 -7.966 43 HB2 ASP 7 2HB ASP 7 -5.654 18.102 -8.369 44 HB3 ASP 7 1HB ASP 7 -4.736 19.261 -7.384 45 H ALA 8 H ALA 8 -3.215 16.733 -4.966 46 HA ALA 8 HA ALA 8 -1.433 18.975 -4.518 47 HB1 ALA 8 3HB ALA 8 -2.625 18.016 -2.615 48 HB2 ALA 8 1HB ALA 8 -0.888 17.856 -2.385 49 HB3 ALA 8 2HB ALA 8 -1.847 16.459 -2.888 50 H GLU 9 H GLU 9 -1.321 16.159 -6.002 51 HA GLU 9 HA GLU 9 1.323 15.322 -5.646 52 HB2 GLU 9 2HB GLU 9 0.760 14.079 -7.848 53 HB3 GLU 9 1HB GLU 9 -0.000 13.598 -6.334 54 HG2 GLU 9 2HG GLU 9 -1.771 13.567 -7.901 55 HG3 GLU 9 1HG GLU 9 -1.954 15.121 -7.108 56 H SER 10 H SER 10 -0.180 17.565 -7.755 57 HA SER 10 HA SER 10 1.929 17.920 -9.576 58 HB2 SER 10 2HB SER 10 -0.289 19.740 -8.671 59 HB3 SER 10 1HB SER 10 0.773 20.111 -10.025 60 HG SER 10 HG SER 10 -0.923 17.827 -9.756 61 H ILE 11 H ILE 11 1.199 19.400 -6.512 62 HA ILE 11 HA ILE 11 3.285 21.291 -6.698 63 HB ILE 11 HB ILE 11 1.529 20.572 -4.360 64 HG12 ILE 11 2HG1 ILE 11 0.475 22.834 -5.641 65 HG13 ILE 11 1HG1 ILE 11 0.997 21.793 -6.920 66 HG21 ILE 11 1HG2 ILE 11 3.004 23.118 -5.085 67 HG22 ILE 11 2HG2 ILE 11 3.466 21.997 -3.806 68 HG23 ILE 11 3HG2 ILE 11 1.955 22.901 -3.684 69 HD11 ILE 11 3HD1 ILE 11 -0.863 20.971 -4.735 70 HD12 ILE 11 1HD1 ILE 11 -0.382 20.007 -6.133 71 HD13 ILE 11 2HD1 ILE 11 -1.318 21.476 -6.361 72 H ARG 12 H ARG 12 2.667 18.369 -4.688 73 HA ARG 12 HA ARG 12 5.168 18.754 -3.374 74 HB2 ARG 12 2HB ARG 12 3.274 16.445 -3.313 75 HB3 ARG 12 1HB ARG 12 4.687 16.598 -2.289 76 HG2 ARG 12 2HG ARG 12 2.229 18.347 -2.277 77 HG3 ARG 12 1HG ARG 12 2.701 17.167 -1.057 78 HD2 ARG 12 2HD ARG 12 4.158 19.726 -1.735 79 HD3 ARG 12 1HD ARG 12 3.158 19.451 -0.322 80 HE ARG 12 HE ARG 12 5.681 18.009 -0.834 81 HH11 ARG 12 1HH1 ARG 12 3.406 19.378 1.473 82 HH12 ARG 12 2HH1 ARG 12 4.501 19.478 2.763 83 HH21 ARG 12 1HH2 ARG 12 7.246 18.107 0.977 84 HH22 ARG 12 2HH2 ARG 12 6.724 18.750 2.461 85 H LEU 13 H LEU 13 4.036 16.762 -6.059 86 HA LEU 13 HA LEU 13 4.949 15.351 -7.434 87 HB2 LEU 13 2HB LEU 13 7.198 17.008 -6.661 88 HB3 LEU 13 1HB LEU 13 7.422 15.767 -7.913 89 HG LEU 13 HG LEU 13 5.697 18.253 -7.941 90 HD11 LEU 13 1HD1 LEU 13 7.911 17.271 -9.655 91 HD12 LEU 13 2HD1 LEU 13 8.015 18.559 -8.443 92 HD13 LEU 13 3HD1 LEU 13 7.028 18.783 -9.907 93 HD21 LEU 13 3HD2 LEU 13 5.715 15.965 -9.923 94 HD22 LEU 13 1HD2 LEU 13 5.001 17.554 -10.225 95 HD23 LEU 13 2HD2 LEU 13 4.352 16.533 -8.957 96 H ASN 14 H ASN 14 4.862 13.302 -6.909 97 HA ASN 14 HA ASN 14 6.197 12.181 -4.661 98 HB2 ASN 14 2HB ASN 14 5.376 9.994 -5.514 99 HB3 ASN 14 1HB ASN 14 4.100 11.192 -5.365 100 HD21 ASN 14 1HD2 ASN 14 5.986 9.265 -7.541 101 HD22 ASN 14 2HD2 ASN 14 5.016 9.570 -8.927 102 H ASN 15 H ASN 15 7.721 10.387 -4.745 103 HA ASN 15 HA ASN 15 9.464 10.203 -6.994 104 HB2 ASN 15 2HB ASN 15 11.455 11.112 -5.810 105 HB3 ASN 15 1HB ASN 15 10.239 12.345 -6.106 106 HD21 ASN 15 1HD2 ASN 15 9.239 13.337 -4.356 107 HD22 ASN 15 2HD2 ASN 15 9.745 13.073 -2.727 108 H GLU 16 H GLU 16 11.619 9.037 -6.023 109 HA GLU 16 HA GLU 16 10.721 6.487 -5.281 110 HB2 GLU 16 2HB GLU 16 13.554 7.556 -5.218 111 HB3 GLU 16 1HB GLU 16 13.118 5.882 -5.005 112 HG2 GLU 16 2HG GLU 16 13.957 6.267 -7.231 113 HG3 GLU 16 1HG GLU 16 12.260 5.821 -7.301 114 H ASN 17 H ASN 17 12.043 9.087 -3.296 115 HA ASN 17 HA ASN 17 12.658 7.708 -0.934 116 HB2 ASN 17 2HB ASN 17 11.346 10.345 -1.241 117 HB3 ASN 17 1HB ASN 17 11.982 9.770 0.289 118 HD21 ASN 17 1HD2 ASN 17 12.857 11.041 -2.778 119 HD22 ASN 17 2HD2 ASN 17 14.549 11.132 -2.456 120 H LEU 18 H LEU 18 9.874 9.213 -2.119 121 HA LEU 18 HA LEU 18 8.167 8.939 0.058 122 HB2 LEU 18 2HB LEU 18 8.139 10.742 -1.564 123 HB3 LEU 18 1HB LEU 18 7.806 9.628 -2.853 124 HG LEU 18 HG LEU 18 5.935 11.137 -2.098 125 HD11 LEU 18 1HD1 LEU 18 5.471 8.210 -1.970 126 HD12 LEU 18 2HD1 LEU 18 5.762 9.157 -3.422 127 HD13 LEU 18 3HD1 LEU 18 4.282 9.467 -2.453 128 HD21 LEU 18 3HD2 LEU 18 4.691 10.506 -0.170 129 HD22 LEU 18 1HD2 LEU 18 6.336 10.900 0.302 130 HD23 LEU 18 2HD2 LEU 18 5.826 9.205 0.211 131 H TRP 19 H TRP 19 8.589 7.054 -2.934 132 HA TRP 19 HA TRP 19 6.519 5.194 -2.367 133 HB2 TRP 19 2HB TRP 19 7.355 5.356 -4.642 134 HB3 TRP 19 1HB TRP 19 8.981 4.945 -4.120 135 HD1 TRP 19 HD1 TRP 19 9.611 2.526 -4.679 136 HE1 TRP 19 HE1 TRP 19 8.371 0.295 -4.975 137 HE3 TRP 19 HE3 TRP 19 4.859 4.082 -3.594 138 HZ2 TRP 19 HZ2 TRP 19 5.743 -0.670 -4.775 139 HZ3 TRP 19 HZ3 TRP 19 3.036 2.429 -3.672 140 HH2 TRP 19 HH2 TRP 19 3.470 0.104 -4.246 141 H ALA 20 H ALA 20 9.995 5.174 -1.773 142 HA ALA 20 HA ALA 20 10.263 2.635 -0.686 143 HB1 ALA 20 3HB ALA 20 12.157 4.011 -1.336 144 HB2 ALA 20 1HB ALA 20 12.306 3.466 0.332 145 HB3 ALA 20 2HB ALA 20 11.816 5.127 -0.011 146 H TRP 21 H TRP 21 9.595 5.708 0.926 147 HA TRP 21 HA TRP 21 9.490 4.859 3.555 148 HB2 TRP 21 2HB TRP 21 9.383 7.193 3.223 149 HB3 TRP 21 1HB TRP 21 8.056 7.059 2.079 150 HD1 TRP 21 HD1 TRP 21 5.818 7.805 3.019 151 HE1 TRP 21 HE1 TRP 21 4.724 7.955 5.334 152 HE3 TRP 21 HE3 TRP 21 9.599 5.834 5.856 153 HZ2 TRP 21 HZ2 TRP 21 5.345 7.318 7.996 154 HZ3 TRP 21 HZ3 TRP 21 9.250 5.639 8.283 155 HH2 TRP 21 HH2 TRP 21 7.154 6.368 9.322 156 H LEU 22 H LEU 22 6.890 4.848 1.168 157 HA LEU 22 HA LEU 22 4.863 3.894 2.848 158 HB2 LEU 22 2HB LEU 22 4.460 4.908 0.646 159 HB3 LEU 22 1HB LEU 22 5.217 3.535 -0.129 160 HG LEU 22 HG LEU 22 3.393 2.085 0.682 161 HD11 LEU 22 1HD1 LEU 22 2.188 4.663 1.689 162 HD12 LEU 22 2HD1 LEU 22 2.759 3.321 2.684 163 HD13 LEU 22 3HD1 LEU 22 1.372 3.103 1.620 164 HD21 LEU 22 3HD2 LEU 22 2.480 4.519 -0.844 165 HD22 LEU 22 1HD2 LEU 22 1.665 2.957 -0.811 166 HD23 LEU 22 2HD2 LEU 22 3.271 3.099 -1.528 167 H VAL 23 H VAL 23 7.024 2.179 0.636 168 HA VAL 23 HA VAL 23 6.139 -0.423 1.120 169 HB VAL 23 HB VAL 23 8.883 0.557 0.281 170 HG11 VAL 23 1HG1 VAL 23 7.718 -2.219 0.094 171 HG12 VAL 23 2HG1 VAL 23 9.046 -1.711 1.145 172 HG13 VAL 23 3HG1 VAL 23 9.250 -1.692 -0.610 173 HG21 VAL 23 3HG2 VAL 23 8.132 -0.032 -1.973 174 HG22 VAL 23 1HG2 VAL 23 7.112 1.205 -1.240 175 HG23 VAL 23 2HG2 VAL 23 6.551 -0.463 -1.325 176 H ARG 24 H ARG 24 8.610 1.487 2.762 177 HA ARG 24 HA ARG 24 9.539 -0.706 4.332 178 HB2 ARG 24 2HB ARG 24 10.013 2.251 4.591 179 HB3 ARG 24 1HB ARG 24 10.784 1.047 5.608 180 HG2 ARG 24 2HG ARG 24 11.043 1.261 2.617 181 HG3 ARG 24 1HG ARG 24 12.240 1.774 3.801 182 HD2 ARG 24 2HD ARG 24 12.460 -0.535 4.583 183 HD3 ARG 24 1HD ARG 24 11.258 -1.055 3.403 184 HE ARG 24 HE ARG 24 13.327 0.326 2.125 185 HH11 ARG 24 1HH1 ARG 24 12.665 -2.803 3.668 186 HH12 ARG 24 2HH1 ARG 24 13.854 -3.639 2.812 187 HH21 ARG 24 1HH2 ARG 24 14.973 -0.849 0.929 188 HH22 ARG 24 2HH2 ARG 24 15.199 -2.509 1.217 189 H LEU 25 H LEU 25 7.358 1.971 4.962 190 HA LEU 25 HA LEU 25 7.092 1.365 7.737 191 HB2 LEU 25 2HB LEU 25 6.651 3.568 6.524 192 HB3 LEU 25 1HB LEU 25 5.177 2.865 5.935 193 HG LEU 25 HG LEU 25 4.827 4.452 7.841 194 HD11 LEU 25 1HD1 LEU 25 4.083 1.659 8.514 195 HD12 LEU 25 2HD1 LEU 25 3.237 2.744 7.400 196 HD13 LEU 25 3HD1 LEU 25 3.342 3.152 9.128 197 HD21 LEU 25 3HD2 LEU 25 5.456 3.823 10.083 198 HD22 LEU 25 1HD2 LEU 25 6.884 3.980 9.063 199 HD23 LEU 25 2HD2 LEU 25 6.262 2.379 9.480 200 H LEU 26 H LEU 26 5.272 0.425 4.854 201 HA LEU 26 HA LEU 26 3.336 -1.107 6.254 202 HB2 LEU 26 2HB LEU 26 4.241 -1.108 3.435 203 HB3 LEU 26 1HB LEU 26 2.885 -2.024 4.081 204 HG LEU 26 HG LEU 26 3.100 0.892 3.557 205 HD11 LEU 26 1HD1 LEU 26 1.087 -1.109 3.784 206 HD12 LEU 26 2HD1 LEU 26 1.880 -0.684 2.224 207 HD13 LEU 26 3HD1 LEU 26 0.754 0.471 3.055 208 HD21 LEU 26 3HD2 LEU 26 2.791 0.872 5.996 209 HD22 LEU 26 1HD2 LEU 26 1.422 -0.229 5.811 210 HD23 LEU 26 2HD2 LEU 26 1.334 1.408 5.170 211 H SER 27 H SER 27 6.596 -1.738 5.204 212 HA SER 27 HA SER 27 6.435 -4.554 5.311 213 HB2 SER 27 2HB SER 27 8.238 -3.244 4.141 214 HB3 SER 27 1HB SER 27 8.816 -2.700 5.709 215 HG SER 27 HG SER 27 8.864 -5.278 4.575 216 H LYS 28 H LYS 28 6.558 -1.995 7.602 217 HA LYS 28 HA LYS 28 7.358 -3.711 9.770 218 HB2 LYS 28 2HB LYS 28 6.480 -0.853 9.963 219 HB3 LYS 28 1HB LYS 28 7.420 -1.775 11.131 220 HG2 LYS 28 2HG LYS 28 9.064 -2.026 9.056 221 HG3 LYS 28 1HG LYS 28 8.145 -0.696 8.526 222 HD2 LYS 28 2HD LYS 28 9.431 -0.666 11.213 223 HD3 LYS 28 1HD LYS 28 10.221 -0.030 9.769 224 HE2 LYS 28 2HE LYS 28 8.325 1.528 9.468 225 HE3 LYS 28 1HE LYS 28 7.601 0.907 10.952 226 HZ1 LYS 28 3HZ LYS 28 10.194 2.344 10.731 227 HZ2 LYS 28 1HZ LYS 28 9.561 1.697 12.153 228 HZ3 LYS 28 2HZ LYS 28 8.760 2.931 11.402 229 H ASN 29 H ASN 29 4.593 -3.107 8.087 230 HA ASN 29 HA ASN 29 2.840 -3.748 10.322 231 HB2 ASN 29 2HB ASN 29 2.427 -1.599 8.282 232 HB3 ASN 29 1HB ASN 29 1.134 -2.238 9.147 233 HD21 ASN 29 1HD2 ASN 29 3.868 -0.229 9.333 234 HD22 ASN 29 2HD2 ASN 29 3.584 0.400 10.929 235 HA PRO 30 HA PRO 30 2.081 -6.036 6.185 236 HB2 PRO 30 2HB PRO 30 2.823 -8.505 7.595 237 HB3 PRO 30 1HB PRO 30 3.435 -7.903 6.052 238 HG2 PRO 30 2HG PRO 30 4.985 -7.974 8.252 239 HG3 PRO 30 1HG PRO 30 5.127 -6.682 7.047 240 HD2 PRO 30 2HD PRO 30 3.715 -6.650 9.693 241 HD3 PRO 30 1HD PRO 30 4.764 -5.414 8.981 242 H GLU 31 H GLU 31 1.604 -6.486 9.489 243 HA GLU 31 HA GLU 31 -0.631 -8.194 9.581 244 HB2 GLU 31 2HB GLU 31 0.188 -6.041 11.523 245 HB3 GLU 31 1HB GLU 31 -0.837 -7.423 11.862 246 HG2 GLU 31 2HG GLU 31 2.062 -7.568 11.070 247 HG3 GLU 31 1HG GLU 31 1.442 -7.711 12.713 248 H TRP 32 H TRP 32 -0.310 -4.569 9.505 249 HA TRP 32 HA TRP 32 -3.154 -4.261 9.673 250 HB2 TRP 32 2HB TRP 32 -1.816 -2.431 10.507 251 HB3 TRP 32 1HB TRP 32 -0.901 -2.357 9.004 252 HD1 TRP 32 HD1 TRP 32 -4.304 -1.347 10.468 253 HE1 TRP 32 HE1 TRP 32 -5.394 0.370 8.894 254 HE3 TRP 32 HE3 TRP 32 -0.963 -1.582 6.638 255 HZ2 TRP 32 HZ2 TRP 32 -4.831 1.557 6.274 256 HZ3 TRP 32 HZ3 TRP 32 -1.273 -0.223 4.700 257 HH2 TRP 32 HH2 TRP 32 -3.187 1.335 4.504 258 H LEU 33 H LEU 33 -0.688 -4.186 7.234 259 HA LEU 33 HA LEU 33 -2.150 -3.242 5.103 260 HB2 LEU 33 2HB LEU 33 0.237 -3.324 5.173 261 HB3 LEU 33 1HB LEU 33 0.227 -5.050 5.213 262 HG LEU 33 HG LEU 33 -0.644 -5.164 2.976 263 HD11 LEU 33 1HD1 LEU 33 -0.777 -3.114 1.574 264 HD12 LEU 33 2HD1 LEU 33 -0.502 -2.141 3.023 265 HD13 LEU 33 3HD1 LEU 33 -1.952 -3.132 2.885 266 HD21 LEU 33 3HD2 LEU 33 1.758 -5.142 3.296 267 HD22 LEU 33 1HD2 LEU 33 1.766 -3.383 3.197 268 HD23 LEU 33 2HD2 LEU 33 1.327 -4.342 1.786 269 H SER 34 H SER 34 -1.419 -6.576 5.950 270 HA SER 34 HA SER 34 -2.744 -7.876 3.897 271 HB2 SER 34 2HB SER 34 -3.014 -9.785 5.584 272 HB3 SER 34 1HB SER 34 -1.373 -9.184 5.329 273 HG SER 34 HG SER 34 -1.321 -8.458 7.250 274 H ALA 35 H ALA 35 -4.078 -6.927 6.978 275 HA ALA 35 HA ALA 35 -6.682 -7.830 6.690 276 HB1 ALA 35 3HB ALA 35 -7.269 -6.206 8.402 277 HB2 ALA 35 1HB ALA 35 -5.721 -5.396 8.166 278 HB3 ALA 35 2HB ALA 35 -5.764 -7.046 8.793 279 H LYS 36 H LYS 36 -5.327 -4.653 5.785 280 HA LYS 36 HA LYS 36 -7.808 -3.790 4.759 281 HB2 LYS 36 2HB LYS 36 -5.029 -2.604 4.593 282 HB3 LYS 36 1HB LYS 36 -6.322 -1.927 3.616 283 HG2 LYS 36 2HG LYS 36 -6.502 -2.322 6.571 284 HG3 LYS 36 1HG LYS 36 -5.924 -0.843 5.802 285 HD2 LYS 36 2HD LYS 36 -8.514 -1.991 4.917 286 HD3 LYS 36 1HD LYS 36 -8.485 -1.102 6.458 287 HE2 LYS 36 2HE LYS 36 -7.439 0.784 5.138 288 HE3 LYS 36 1HE LYS 36 -7.752 -0.159 3.684 289 HZ1 LYS 36 3HZ LYS 36 -9.801 0.776 5.615 290 HZ2 LYS 36 1HZ LYS 36 -10.139 -0.068 4.201 291 HZ3 LYS 36 2HZ LYS 36 -9.521 1.502 4.137 292 H LEU 37 H LEU 37 -5.066 -5.378 3.290 293 HA LEU 37 HA LEU 37 -5.737 -5.148 0.611 294 HB2 LEU 37 2HB LEU 37 -4.446 -7.438 2.071 295 HB3 LEU 37 1HB LEU 37 -4.476 -7.252 0.337 296 HG LEU 37 HG LEU 37 -3.048 -5.445 2.282 297 HD11 LEU 37 1HD1 LEU 37 -2.015 -7.496 0.339 298 HD12 LEU 37 2HD1 LEU 37 -2.009 -7.638 2.093 299 HD13 LEU 37 3HD1 LEU 37 -1.022 -6.411 1.304 300 HD21 LEU 37 3HD2 LEU 37 -2.021 -4.491 0.248 301 HD22 LEU 37 1HD2 LEU 37 -3.755 -4.195 0.357 302 HD23 LEU 37 2HD2 LEU 37 -3.142 -5.441 -0.730 303 H ARG 38 H ARG 38 -7.010 -7.199 3.123 304 HA ARG 38 HA ARG 38 -8.209 -9.213 1.598 305 HB2 ARG 38 2HB ARG 38 -9.315 -8.119 4.162 306 HB3 ARG 38 1HB ARG 38 -9.597 -9.715 3.493 307 HG2 ARG 38 2HG ARG 38 -6.963 -9.962 3.770 308 HG3 ARG 38 1HG ARG 38 -7.198 -8.567 4.754 309 HD2 ARG 38 2HD ARG 38 -8.688 -11.117 5.173 310 HD3 ARG 38 1HD ARG 38 -7.244 -10.628 6.056 311 HE ARG 38 HE ARG 38 -9.180 -8.606 6.249 312 HH11 ARG 38 1HH1 ARG 38 -8.649 -11.897 7.401 313 HH12 ARG 38 2HH1 ARG 38 -9.487 -11.701 8.860 314 HH21 ARG 38 1HH2 ARG 38 -10.373 -8.294 8.249 315 HH22 ARG 38 2HH2 ARG 38 -10.526 -9.591 9.337 316 H SER 39 H SER 39 -9.252 -5.983 2.333 317 HA SER 39 HA SER 39 -11.990 -6.406 1.515 318 HB2 SER 39 2HB SER 39 -11.400 -4.882 3.383 319 HB3 SER 39 1HB SER 39 -10.512 -3.888 2.234 320 HG SER 39 HG SER 39 -13.297 -4.398 2.293 321 H PHE 40 H PHE 40 -9.035 -5.272 0.210 322 HA PHE 40 HA PHE 40 -10.264 -4.102 -2.169 323 HB2 PHE 40 2HB PHE 40 -7.427 -4.359 -1.249 324 HB3 PHE 40 1HB PHE 40 -7.912 -3.551 -2.756 325 HD1 PHE 40 HD1 PHE 40 -9.890 -1.854 -2.353 326 HD2 PHE 40 HD2 PHE 40 -7.126 -3.022 0.622 327 HE1 PHE 40 HE1 PHE 40 -10.406 0.209 -1.064 328 HE2 PHE 40 HE2 PHE 40 -7.608 -1.010 1.898 329 HZ PHE 40 HZ PHE 40 -9.247 0.627 1.066 330 H LEU 41 H LEU 41 -7.875 -6.739 -1.583 331 HA LEU 41 HA LEU 41 -8.236 -7.675 -4.269 332 HB2 LEU 41 2HB LEU 41 -6.465 -8.404 -2.011 333 HB3 LEU 41 1HB LEU 41 -6.671 -9.499 -3.354 334 HG LEU 41 HG LEU 41 -5.975 -7.628 -4.820 335 HD11 LEU 41 1HD1 LEU 41 -5.154 -6.463 -2.219 336 HD12 LEU 41 2HD1 LEU 41 -6.394 -5.889 -3.350 337 HD13 LEU 41 3HD1 LEU 41 -4.680 -5.856 -3.829 338 HD21 LEU 41 3HD2 LEU 41 -4.077 -8.764 -2.798 339 HD22 LEU 41 1HD2 LEU 41 -3.588 -8.014 -4.314 340 HD23 LEU 41 2HD2 LEU 41 -4.552 -9.486 -4.334 341 HA PRO 42 HA PRO 42 -11.091 -10.800 -2.824 342 HB2 PRO 42 2HB PRO 42 -11.961 -11.514 -5.271 343 HB3 PRO 42 1HB PRO 42 -12.515 -10.033 -4.487 344 HG2 PRO 42 2HG PRO 42 -10.519 -10.383 -6.671 345 HG3 PRO 42 1HG PRO 42 -11.690 -9.079 -6.429 346 HD2 PRO 42 2HD PRO 42 -8.971 -8.955 -5.773 347 HD3 PRO 42 1HD PRO 42 -10.212 -7.880 -5.129 348 H THR 43 H THR 43 -8.376 -10.902 -4.829 349 HA THR 43 HA THR 43 -8.199 -13.834 -4.751 350 HB THR 43 HB THR 43 -8.372 -12.971 -7.028 351 HG1 THR 43 HG1 THR 43 -5.779 -13.815 -6.334 352 HG21 THR 43 3HG2 THR 43 -6.646 -11.471 -7.962 353 HG22 THR 43 1HG2 THR 43 -5.950 -11.325 -6.343 354 HG23 THR 43 2HG2 THR 43 -7.578 -10.723 -6.653 355 H MET 44 H MET 44 -7.383 -11.958 -2.568 356 HA MET 44 HA MET 44 -4.769 -11.132 -2.597 357 HB2 MET 44 2HB MET 44 -6.485 -10.341 -1.198 358 HB3 MET 44 1HB MET 44 -6.607 -11.918 -0.417 359 HG2 MET 44 2HG MET 44 -5.681 -10.340 0.764 360 HG3 MET 44 1HG MET 44 -4.402 -11.553 0.490 361 HE1 MET 44 3HE MET 44 -1.980 -10.771 -0.619 362 HE2 MET 44 1HE MET 44 -1.847 -9.376 -1.681 363 HE3 MET 44 2HE MET 44 -2.865 -10.739 -2.137 364 H ASP 45 H ASP 45 -3.157 -12.414 -2.918 365 HA ASP 45 HA ASP 45 -2.895 -14.933 -1.438 366 HB2 ASP 45 2HB ASP 45 -2.410 -14.931 -3.881 367 HB3 ASP 45 1HB ASP 45 -1.191 -13.696 -3.624 368 H LEU 46 H LEU 46 -2.900 -13.538 0.452 369 HA LEU 46 HA LEU 46 -0.459 -11.982 0.855 370 HB2 LEU 46 2HB LEU 46 -1.517 -10.923 2.718 371 HB3 LEU 46 1HB LEU 46 -2.634 -10.938 1.361 372 HG LEU 46 HG LEU 46 -3.840 -12.865 2.531 373 HD11 LEU 46 1HD1 LEU 46 -3.622 -13.042 4.958 374 HD12 LEU 46 2HD1 LEU 46 -2.234 -11.954 4.915 375 HD13 LEU 46 3HD1 LEU 46 -2.141 -13.533 4.136 376 HD21 LEU 46 3HD2 LEU 46 -4.822 -10.676 2.485 377 HD22 LEU 46 1HD2 LEU 46 -3.790 -10.127 3.795 378 HD23 LEU 46 2HD2 LEU 46 -5.025 -11.338 4.099 379 H ASP 47 H ASP 47 -1.815 -14.936 1.620 380 HA ASP 47 HA ASP 47 -0.479 -15.311 4.140 381 HB2 ASP 47 2HB ASP 47 -2.677 -16.327 3.631 382 HB3 ASP 47 1HB ASP 47 -1.912 -17.306 2.394 383 H CYS 48 H CYS 48 0.293 -15.583 1.004 384 HA CYS 48 HA CYS 48 2.225 -17.729 1.443 385 HB2 CYS 48 2HB CYS 48 1.466 -16.467 -1.186 386 HB3 CYS 48 1HB CYS 48 2.548 -17.842 -0.974 387 HG CYS 48 HG CYS 48 -0.529 -17.796 -1.492 388 H SER 49 H SER 49 3.444 -16.328 2.808 389 HA SER 49 HA SER 49 5.059 -14.445 1.372 390 HB2 SER 49 2HB SER 49 6.106 -14.174 3.742 391 HB3 SER 49 1HB SER 49 4.488 -13.538 3.456 392 HG SER 49 HG SER 49 3.757 -14.834 4.862 393 H TYR 50 H TYR 50 6.009 -15.810 -0.005 394 HA TYR 50 HA TYR 50 7.608 -18.007 0.741 395 HB2 TYR 50 2HB TYR 50 8.735 -17.307 -1.553 396 HB3 TYR 50 1HB TYR 50 7.199 -18.201 -1.517 397 HD1 TYR 50 HD1 TYR 50 8.580 -14.717 -1.568 398 HD2 TYR 50 HD2 TYR 50 5.441 -17.296 -2.765 399 HE1 TYR 50 HE1 TYR 50 7.648 -12.920 -2.922 400 HE2 TYR 50 HE2 TYR 50 4.476 -15.487 -4.125 401 HH TYR 50 HH TYR 50 6.248 -12.582 -4.715 402 H GLU 51 H GLU 51 8.130 -14.766 0.613 403 HA GLU 51 HA GLU 51 10.839 -14.977 1.541 404 HB2 GLU 51 2HB GLU 51 9.381 -12.974 -0.165 405 HB3 GLU 51 1HB GLU 51 10.901 -12.693 0.602 406 HG2 GLU 51 2HG GLU 51 10.420 -14.838 -1.481 407 HG3 GLU 51 1HG GLU 51 11.171 -13.269 -1.790 408 HA PRO 52 HA PRO 52 9.063 -12.758 5.060 409 HB2 PRO 52 2HB PRO 52 10.915 -10.750 5.441 410 HB3 PRO 52 1HB PRO 52 11.147 -12.421 5.970 411 HG2 PRO 52 2HG PRO 52 12.153 -11.043 3.521 412 HG3 PRO 52 1HG PRO 52 12.995 -12.156 4.615 413 HD2 PRO 52 2HD PRO 52 12.054 -12.973 2.267 414 HD3 PRO 52 1HD PRO 52 11.998 -14.012 3.704 415 H SER 53 H SER 53 9.303 -9.979 5.626 416 HA SER 53 HA SER 53 7.217 -8.869 4.031 417 HB2 SER 53 2HB SER 53 8.994 -7.527 6.075 418 HB3 SER 53 1HB SER 53 7.369 -7.044 5.593 419 HG SER 53 HG SER 53 6.790 -9.270 6.358 420 H ASN 54 H ASN 54 9.459 -9.448 2.421 421 HA ASN 54 HA ASN 54 11.315 -7.407 2.009 422 HB2 ASN 54 2HB ASN 54 10.446 -9.856 0.713 423 HB3 ASN 54 1HB ASN 54 11.223 -8.727 -0.362 424 HD21 ASN 54 1HD2 ASN 54 13.043 -10.159 -0.544 425 HD22 ASN 54 2HD2 ASN 54 14.153 -10.367 0.761 426 HA PRO 55 HA PRO 55 9.547 -4.045 -0.135 427 HB2 PRO 55 2HB PRO 55 11.594 -4.640 -2.216 428 HB3 PRO 55 1HB PRO 55 11.211 -3.111 -1.425 429 HG2 PRO 55 2HG PRO 55 13.359 -4.600 -0.745 430 HG3 PRO 55 1HG PRO 55 12.488 -3.590 0.416 431 HD2 PRO 55 2HD PRO 55 12.555 -6.548 0.220 432 HD3 PRO 55 1HD PRO 55 12.092 -5.493 1.567 433 H GLU 56 H GLU 56 10.536 -6.672 -2.410 434 HA GLU 56 HA GLU 56 8.588 -5.905 -4.239 435 HB2 GLU 56 2HB GLU 56 10.370 -8.247 -4.070 436 HB3 GLU 56 1HB GLU 56 9.288 -7.913 -5.427 437 HG2 GLU 56 2HG GLU 56 11.504 -6.162 -4.412 438 HG3 GLU 56 1HG GLU 56 11.352 -7.063 -5.923 439 H VAL 57 H VAL 57 8.557 -7.929 -1.512 440 HA VAL 57 HA VAL 57 6.373 -9.560 -2.335 441 HB VAL 57 HB VAL 57 7.451 -8.998 0.455 442 HG11 VAL 57 1HG1 VAL 57 5.549 -11.168 -0.452 443 HG12 VAL 57 2HG1 VAL 57 5.091 -9.753 0.487 444 HG13 VAL 57 3HG1 VAL 57 6.192 -10.959 1.180 445 HG21 VAL 57 3HG2 VAL 57 8.474 -11.179 0.301 446 HG22 VAL 57 1HG2 VAL 57 9.046 -10.130 -0.994 447 HG23 VAL 57 2HG2 VAL 57 7.848 -11.383 -1.338 448 H ILE 58 H ILE 58 6.898 -6.720 -0.391 449 HA ILE 58 HA ILE 58 4.222 -6.130 0.254 450 HB ILE 58 HB ILE 58 6.651 -4.350 -0.063 451 HG12 ILE 58 2HG1 ILE 58 6.944 -6.032 1.672 452 HG13 ILE 58 1HG1 ILE 58 6.765 -4.427 2.369 453 HG21 ILE 58 1HG2 ILE 58 4.021 -3.672 1.225 454 HG22 ILE 58 2HG2 ILE 58 4.704 -2.952 -0.237 455 HG23 ILE 58 3HG2 ILE 58 5.485 -2.692 1.323 456 HD11 ILE 58 3HD1 ILE 58 5.585 -6.093 3.678 457 HD12 ILE 58 1HD1 ILE 58 4.616 -6.537 2.271 458 HD13 ILE 58 2HD1 ILE 58 4.469 -4.925 2.981 459 H HIS 59 H HIS 59 6.333 -5.274 -2.368 460 HA HIS 59 HA HIS 59 4.911 -3.331 -3.725 461 HB2 HIS 59 2HB HIS 59 7.309 -4.114 -4.053 462 HB3 HIS 59 1HB HIS 59 6.653 -5.406 -5.038 463 HD1 HIS 59 HD1 HIS 59 8.371 -4.194 -6.762 464 HD2 HIS 59 HD2 HIS 59 4.861 -2.149 -5.876 465 HE1 HIS 59 HE1 HIS 59 8.195 -2.388 -8.472 466 HE2 HIS 59 HE2 HIS 59 5.939 -1.381 -8.101 467 H ARG 60 H ARG 60 4.599 -6.993 -4.326 468 HA ARG 60 HA ARG 60 2.935 -6.684 -6.434 469 HB2 ARG 60 2HB ARG 60 2.447 -8.948 -5.971 470 HB3 ARG 60 1HB ARG 60 4.187 -8.694 -5.966 471 HG2 ARG 60 2HG ARG 60 4.162 -8.818 -3.527 472 HG3 ARG 60 1HG ARG 60 2.409 -8.984 -3.543 473 HD2 ARG 60 2HD ARG 60 4.343 -10.951 -4.779 474 HD3 ARG 60 1HD ARG 60 3.604 -11.134 -3.193 475 HE ARG 60 HE ARG 60 1.893 -10.865 -5.549 476 HH11 ARG 60 1HH1 ARG 60 3.170 -13.072 -3.036 477 HH12 ARG 60 2HH1 ARG 60 1.859 -14.180 -3.236 478 HH21 ARG 60 1HH2 ARG 60 0.214 -12.488 -5.771 479 HH22 ARG 60 2HH2 ARG 60 0.269 -13.879 -4.757 480 H GLN 61 H GLN 61 2.407 -6.568 -3.003 481 HA GLN 61 HA GLN 61 -0.384 -7.163 -3.018 482 HB2 GLN 61 2HB GLN 61 1.209 -5.679 -0.927 483 HB3 GLN 61 1HB GLN 61 -0.309 -6.540 -0.699 484 HG2 GLN 61 2HG GLN 61 0.894 -8.634 -1.338 485 HG3 GLN 61 1HG GLN 61 2.362 -7.709 -1.361 486 HE21 GLN 61 1HE2 GLN 61 1.565 -9.954 0.371 487 HE22 GLN 61 2HE2 GLN 61 1.811 -9.363 1.985 488 H LEU 62 H LEU 62 1.588 -4.323 -2.887 489 HA LEU 62 HA LEU 62 -0.633 -2.497 -2.705 490 HB2 LEU 62 2HB LEU 62 2.314 -2.054 -3.137 491 HB3 LEU 62 1HB LEU 62 1.187 -0.732 -3.304 492 HG LEU 62 HG LEU 62 2.287 -0.687 -1.112 493 HD11 LEU 62 1HD1 LEU 62 0.020 0.176 -1.243 494 HD12 LEU 62 2HD1 LEU 62 0.365 -0.535 0.330 495 HD13 LEU 62 3HD1 LEU 62 -0.606 -1.424 -0.837 496 HD21 LEU 62 3HD2 LEU 62 0.963 -3.335 -0.597 497 HD22 LEU 62 1HD2 LEU 62 1.876 -2.380 0.570 498 HD23 LEU 62 2HD2 LEU 62 2.689 -3.078 -0.836 499 H ASN 63 H ASN 63 1.339 -3.749 -5.291 500 HA ASN 63 HA ASN 63 0.562 -2.263 -7.480 501 HB2 ASN 63 2HB ASN 63 2.280 -4.058 -7.378 502 HB3 ASN 63 1HB ASN 63 0.970 -5.183 -7.093 503 HD21 ASN 63 1HD2 ASN 63 2.310 -3.095 -9.531 504 HD22 ASN 63 2HD2 ASN 63 1.520 -3.943 -10.809 505 H ARG 64 H ARG 64 -0.783 -5.199 -6.193 506 HA ARG 64 HA ARG 64 -2.940 -5.406 -7.826 507 HB2 ARG 64 2HB ARG 64 -2.310 -6.482 -5.159 508 HB3 ARG 64 1HB ARG 64 -3.958 -6.641 -5.760 509 HG2 ARG 64 2HG ARG 64 -1.580 -7.535 -7.351 510 HG3 ARG 64 1HG ARG 64 -2.422 -8.596 -6.212 511 HD2 ARG 64 2HD ARG 64 -4.488 -8.189 -7.407 512 HD3 ARG 64 1HD ARG 64 -3.646 -7.172 -8.574 513 HE ARG 64 HE ARG 64 -2.279 -9.511 -8.641 514 HH11 ARG 64 1HH1 ARG 64 -5.680 -8.623 -9.218 515 HH12 ARG 64 2HH1 ARG 64 -5.968 -9.901 -10.277 516 HH21 ARG 64 1HH2 ARG 64 -2.694 -11.250 -10.123 517 HH22 ARG 64 2HH2 ARG 64 -4.242 -11.442 -10.803 518 H LEU 65 H LEU 65 -2.610 -3.391 -4.998 519 HA LEU 65 HA LEU 65 -5.378 -2.787 -4.676 520 HB2 LEU 65 2HB LEU 65 -2.960 -1.174 -3.965 521 HB3 LEU 65 1HB LEU 65 -4.599 -0.774 -3.498 522 HG LEU 65 HG LEU 65 -2.969 -3.130 -2.583 523 HD11 LEU 65 1HD1 LEU 65 -4.190 -0.773 -1.244 524 HD12 LEU 65 2HD1 LEU 65 -2.473 -0.928 -1.627 525 HD13 LEU 65 3HD1 LEU 65 -3.228 -2.011 -0.434 526 HD21 LEU 65 3HD2 LEU 65 -5.806 -2.359 -1.993 527 HD22 LEU 65 1HD2 LEU 65 -4.900 -3.630 -1.174 528 HD23 LEU 65 2HD2 LEU 65 -5.275 -3.789 -2.882 529 H PHE 66 H PHE 66 -2.745 -1.204 -6.433 530 HA PHE 66 HA PHE 66 -4.530 0.822 -7.347 531 HB2 PHE 66 2HB PHE 66 -2.681 1.862 -8.369 532 HB3 PHE 66 1HB PHE 66 -1.926 0.898 -7.128 533 HD1 PHE 66 HD2 PHE 66 -2.877 0.456 -10.662 534 HD2 PHE 66 HD1 PHE 66 -0.013 -0.113 -7.626 535 HE1 PHE 66 HE2 PHE 66 -1.318 -0.512 -12.347 536 HE2 PHE 66 HE1 PHE 66 1.564 -1.063 -9.260 537 HZ PHE 66 HZ PHE 66 0.912 -1.270 -11.622 538 H ALA 67 H ALA 67 -3.727 -2.295 -8.392 539 HA ALA 67 HA ALA 67 -4.867 -2.127 -10.978 540 HB1 ALA 67 3HB ALA 67 -3.344 -3.946 -10.310 541 HB2 ALA 67 1HB ALA 67 -4.867 -4.566 -10.949 542 HB3 ALA 67 2HB ALA 67 -4.579 -4.558 -9.210 543 H GLN 68 H GLN 68 -6.291 -2.625 -7.718 544 HA GLN 68 HA GLN 68 -8.784 -3.546 -8.554 545 HB2 GLN 68 2HB GLN 68 -7.867 -1.942 -6.214 546 HB3 GLN 68 1HB GLN 68 -9.494 -2.511 -6.343 547 HG2 GLN 68 2HG GLN 68 -7.018 -3.924 -5.429 548 HG3 GLN 68 1HG GLN 68 -8.646 -4.027 -4.977 549 HE21 GLN 68 1HE2 GLN 68 -6.587 -6.036 -5.939 550 HE22 GLN 68 2HE2 GLN 68 -7.510 -7.094 -6.963 551 H GLY 69 H GLY 69 -7.280 -0.435 -8.114 552 HA2 GLY 69 2HA GLY 69 -9.121 1.063 -9.756 553 HA3 GLY 69 1HA GLY 69 -9.442 1.136 -8.060 554 H MET 70 H MET 70 -8.077 2.798 -10.307 555 HA MET 70 HA MET 70 -5.738 3.706 -8.979 556 HB2 MET 70 2HB MET 70 -5.940 5.749 -10.332 557 HB3 MET 70 1HB MET 70 -6.270 4.357 -11.343 558 HG2 MET 70 2HG MET 70 -8.676 4.810 -11.167 559 HG3 MET 70 1HG MET 70 -8.337 6.201 -10.145 560 HE1 MET 70 3HE MET 70 -9.539 7.885 -13.451 561 HE2 MET 70 1HE MET 70 -9.736 7.802 -11.701 562 HE3 MET 70 2HE MET 70 -10.153 6.411 -12.701 563 H ALA 71 H ALA 71 -9.108 4.161 -8.714 564 HA ALA 71 HA ALA 71 -9.064 6.303 -6.820 565 HB1 ALA 71 3HB ALA 71 -10.950 5.980 -8.306 566 HB2 ALA 71 1HB ALA 71 -11.478 5.761 -6.628 567 HB3 ALA 71 2HB ALA 71 -11.170 4.356 -7.678 568 H THR 72 H THR 72 -9.528 2.725 -6.728 569 HA THR 72 HA THR 72 -9.901 2.328 -4.058 570 HB THR 72 HB THR 72 -8.330 0.712 -6.082 571 HG1 THR 72 HG1 THR 72 -10.835 -0.051 -5.206 572 HG21 THR 72 3HG2 THR 72 -8.814 -1.252 -4.515 573 HG22 THR 72 1HG2 THR 72 -9.363 -0.093 -3.340 574 HG23 THR 72 2HG2 THR 72 -7.680 -0.099 -3.833 575 H TRP 73 H TRP 73 -6.889 2.799 -5.814 576 HA TRP 73 HA TRP 73 -5.159 2.473 -3.659 577 HB2 TRP 73 2HB TRP 73 -4.426 2.455 -6.001 578 HB3 TRP 73 1HB TRP 73 -4.827 4.161 -6.149 579 HD1 TRP 73 HD1 TRP 73 -3.003 5.826 -5.529 580 HE1 TRP 73 HE1 TRP 73 -0.638 5.652 -4.510 581 HE3 TRP 73 HE3 TRP 73 -3.034 0.921 -4.242 582 HZ2 TRP 73 HZ2 TRP 73 0.977 3.720 -3.339 583 HZ3 TRP 73 HZ3 TRP 73 -1.036 -0.023 -3.176 584 HH2 TRP 73 HH2 TRP 73 0.933 1.356 -2.734 585 H LYS 74 H LYS 74 -6.527 5.522 -5.036 586 HA LYS 74 HA LYS 74 -5.529 7.327 -3.181 587 HB2 LYS 74 2HB LYS 74 -8.279 7.476 -4.465 588 HB3 LYS 74 1HB LYS 74 -7.301 8.819 -3.879 589 HG2 LYS 74 2HG LYS 74 -5.676 8.374 -5.623 590 HG3 LYS 74 1HG LYS 74 -6.665 7.031 -6.171 591 HD2 LYS 74 2HD LYS 74 -8.508 8.569 -6.606 592 HD3 LYS 74 1HD LYS 74 -7.470 9.901 -6.055 593 HE2 LYS 74 2HE LYS 74 -5.919 9.504 -7.771 594 HE3 LYS 74 1HE LYS 74 -6.761 8.036 -8.277 595 HZ1 LYS 74 3HZ LYS 74 -7.260 9.927 -9.777 596 HZ2 LYS 74 1HZ LYS 74 -7.873 10.795 -8.484 597 HZ3 LYS 74 2HZ LYS 74 -8.637 9.408 -8.991 598 H SER 75 H SER 75 -8.536 5.322 -2.927 599 HA SER 75 HA SER 75 -9.446 6.428 -0.610 600 HB2 SER 75 2HB SER 75 -9.788 3.711 -1.864 601 HB3 SER 75 1HB SER 75 -10.824 4.454 -0.654 602 HG SER 75 HG SER 75 -10.900 6.244 -2.324 603 H PHE 76 H PHE 76 -7.491 3.540 -1.317 604 HA PHE 76 HA PHE 76 -7.157 2.513 1.236 605 HB2 PHE 76 2HB PHE 76 -6.479 1.237 -0.694 606 HB3 PHE 76 1HB PHE 76 -5.338 2.473 -1.165 607 HD1 PHE 76 HD2 PHE 76 -5.986 0.002 1.531 608 HD2 PHE 76 HD1 PHE 76 -3.123 2.459 -0.430 609 HE1 PHE 76 HE2 PHE 76 -4.183 -1.067 2.822 610 HE2 PHE 76 HE1 PHE 76 -1.322 1.404 0.858 611 HZ PHE 76 HZ PHE 76 -1.849 -0.360 2.486 612 H ILE 77 H ILE 77 -5.136 4.749 -0.562 613 HA ILE 77 HA ILE 77 -3.157 5.071 1.364 614 HB ILE 77 HB ILE 77 -4.047 6.836 -0.903 615 HG12 ILE 77 2HG1 ILE 77 -3.090 4.695 -1.572 616 HG13 ILE 77 1HG1 ILE 77 -2.022 6.018 -2.015 617 HG21 ILE 77 1HG2 ILE 77 -1.975 8.073 -0.660 618 HG22 ILE 77 2HG2 ILE 77 -1.607 7.137 0.798 619 HG23 ILE 77 3HG2 ILE 77 -3.004 8.212 0.770 620 HD11 ILE 77 3HD1 ILE 77 -0.754 4.137 -1.179 621 HD12 ILE 77 1HD1 ILE 77 -1.664 4.149 0.330 622 HD13 ILE 77 2HD1 ILE 77 -0.600 5.498 -0.072 623 H ASN 78 H ASN 78 -6.225 6.675 0.985 624 HA ASN 78 HA ASN 78 -5.787 8.753 2.835 625 HB2 ASN 78 2HB ASN 78 -7.729 8.644 1.242 626 HB3 ASN 78 1HB ASN 78 -8.408 7.371 2.242 627 HD21 ASN 78 1HD2 ASN 78 -6.726 10.283 3.367 628 HD22 ASN 78 2HD2 ASN 78 -8.087 10.912 4.204 629 H ASP 79 H ASP 79 -7.048 5.441 3.195 630 HA ASP 79 HA ASP 79 -7.479 5.678 6.014 631 HB2 ASP 79 2HB ASP 79 -7.194 3.211 4.297 632 HB3 ASP 79 1HB ASP 79 -7.521 3.230 6.025 633 H LEU 80 H LEU 80 -4.948 4.530 3.977 634 HA LEU 80 HA LEU 80 -3.174 3.195 5.597 635 HB2 LEU 80 2HB LEU 80 -3.071 3.583 3.160 636 HB3 LEU 80 1HB LEU 80 -2.822 5.228 3.508 637 HG LEU 80 HG LEU 80 -0.841 4.094 2.565 638 HD11 LEU 80 1HD1 LEU 80 -0.407 6.097 3.800 639 HD12 LEU 80 2HD1 LEU 80 0.882 4.921 4.067 640 HD13 LEU 80 3HD1 LEU 80 -0.341 5.187 5.309 641 HD21 LEU 80 3HD2 LEU 80 -0.853 2.662 5.141 642 HD22 LEU 80 1HD2 LEU 80 0.432 2.597 3.915 643 HD23 LEU 80 2HD2 LEU 80 -1.208 2.009 3.536 644 H CYS 81 H CYS 81 -3.207 6.665 4.959 645 HA CYS 81 HA CYS 81 -1.169 7.265 6.841 646 HB2 CYS 81 2HB CYS 81 -3.226 9.157 5.693 647 HB3 CYS 81 1HB CYS 81 -1.670 9.598 6.394 648 HG CYS 81 HG CYS 81 -2.374 8.215 3.396 649 H PHE 82 H PHE 82 -4.637 7.145 7.055 650 HA PHE 82 HA PHE 82 -4.870 8.551 9.542 651 HB2 PHE 82 2HB PHE 82 -6.680 8.335 7.721 652 HB3 PHE 82 1HB PHE 82 -6.897 6.710 8.307 653 HD1 PHE 82 HD1 PHE 82 -7.156 10.248 9.308 654 HD2 PHE 82 HD2 PHE 82 -8.149 6.220 10.248 655 HE1 PHE 82 HE1 PHE 82 -8.706 11.040 11.041 656 HE2 PHE 82 HE2 PHE 82 -9.703 7.006 11.983 657 HZ PHE 82 HZ PHE 82 -9.983 9.416 12.383 658 H GLU 83 H GLU 83 -5.111 5.142 8.576 659 HA GLU 83 HA GLU 83 -5.689 4.189 11.184 660 HB2 GLU 83 2HB GLU 83 -4.705 2.650 8.790 661 HB3 GLU 83 1HB GLU 83 -5.411 1.963 10.241 662 HG2 GLU 83 2HG GLU 83 -7.485 3.337 9.669 663 HG3 GLU 83 1HG GLU 83 -6.739 3.576 8.100 664 H LEU 84 H LEU 84 -2.766 4.740 9.431 665 HA LEU 84 HA LEU 84 -1.223 3.354 11.464 666 HB2 LEU 84 2HB LEU 84 -0.345 4.824 8.984 667 HB3 LEU 84 1HB LEU 84 0.721 3.929 10.053 668 HG LEU 84 HG LEU 84 -1.544 2.715 8.461 669 HD11 LEU 84 1HD1 LEU 84 0.228 1.749 7.077 670 HD12 LEU 84 2HD1 LEU 84 1.414 2.671 8.001 671 HD13 LEU 84 3HD1 LEU 84 0.225 3.513 7.014 672 HD21 LEU 84 3HD2 LEU 84 0.650 1.438 10.100 673 HD22 LEU 84 1HD2 LEU 84 -0.509 0.577 9.086 674 HD23 LEU 84 2HD2 LEU 84 -1.069 1.466 10.497 675 H ASP 85 H ASP 85 -2.652 6.249 11.086 676 HA ASP 85 HA ASP 85 -2.684 8.183 12.197 677 HB2 ASP 85 2HB ASP 85 -2.722 6.600 14.113 678 HB3 ASP 85 1HB ASP 85 -0.972 6.695 14.206 679 H VAL 86 H VAL 86 -0.860 8.066 10.182 680 HA VAL 86 HA VAL 86 1.284 9.755 11.198 681 HB VAL 86 HB VAL 86 2.701 8.959 9.225 682 HG11 VAL 86 1HG1 VAL 86 1.965 6.937 11.338 683 HG12 VAL 86 2HG1 VAL 86 3.152 8.229 11.502 684 HG13 VAL 86 3HG1 VAL 86 3.435 6.909 10.365 685 HG21 VAL 86 3HG2 VAL 86 2.179 6.731 8.298 686 HG22 VAL 86 1HG2 VAL 86 0.932 7.913 7.888 687 HG23 VAL 86 2HG2 VAL 86 0.645 6.739 9.171 688 HA PRO 87 HA PRO 87 -0.787 12.556 8.331 689 HB2 PRO 87 2HB PRO 87 0.858 14.597 9.638 690 HB3 PRO 87 1HB PRO 87 -0.901 14.478 9.591 691 HG2 PRO 87 2HG PRO 87 0.526 14.071 11.852 692 HG3 PRO 87 1HG PRO 87 -1.002 13.239 11.519 693 HD2 PRO 87 2HD PRO 87 1.804 12.226 11.258 694 HD3 PRO 87 1HD PRO 87 0.345 11.403 11.859 695 H LEU 88 H LEU 88 0.211 12.091 6.464 696 HA LEU 88 HA LEU 88 3.096 12.482 6.274 697 HB2 LEU 88 2HB LEU 88 1.207 11.100 4.390 698 HB3 LEU 88 1HB LEU 88 2.950 11.175 4.212 699 HG LEU 88 HG LEU 88 1.472 9.821 6.467 700 HD11 LEU 88 1HD1 LEU 88 2.968 8.667 4.127 701 HD12 LEU 88 2HD1 LEU 88 1.223 8.609 4.409 702 HD13 LEU 88 3HD1 LEU 88 2.318 7.751 5.489 703 HD21 LEU 88 3HD2 LEU 88 3.691 8.943 7.089 704 HD22 LEU 88 1HD2 LEU 88 3.598 10.698 7.241 705 HD23 LEU 88 2HD2 LEU 88 4.424 9.974 5.861 706 H ASP 89 H ASP 89 0.251 14.032 5.397 707 HA ASP 89 HA ASP 89 -0.238 15.948 4.273 708 HB2 ASP 89 2HB ASP 89 1.836 16.937 5.135 709 HB3 ASP 89 1HB ASP 89 2.767 16.156 3.869 710 H MET 90 H MET 90 2.407 14.522 2.595 711 HA MET 90 HA MET 90 1.366 15.037 -0.020 712 HB2 MET 90 2HB MET 90 3.468 13.979 -0.776 713 HB3 MET 90 1HB MET 90 3.726 15.250 0.410 714 HG2 MET 90 2HG MET 90 3.965 13.464 2.137 715 HG3 MET 90 1HG MET 90 3.862 12.276 0.843 716 HE1 MET 90 3HE MET 90 5.687 15.816 0.887 717 HE2 MET 90 1HE MET 90 7.297 15.306 1.384 718 HE3 MET 90 2HE MET 90 5.936 15.125 2.493 719 H GLU 91 H GLU 91 -0.252 13.346 1.521 720 HA GLU 91 HA GLU 91 -0.253 10.538 0.956 721 HB2 GLU 91 2HB GLU 91 -1.676 11.649 2.651 722 HB3 GLU 91 1HB GLU 91 -2.468 12.586 1.406 723 HG2 GLU 91 2HG GLU 91 -3.210 10.287 0.490 724 HG3 GLU 91 1HG GLU 91 -2.783 9.713 2.110 725 H ILE 92 H ILE 92 -1.415 13.309 -0.963 726 HA ILE 92 HA ILE 92 -2.692 11.647 -3.033 727 HB ILE 92 HB ILE 92 -1.781 14.539 -2.961 728 HG12 ILE 92 2HG1 ILE 92 -3.460 14.248 -1.272 729 HG13 ILE 92 1HG1 ILE 92 -4.173 15.126 -2.616 730 HG21 ILE 92 1HG2 ILE 92 -3.549 13.154 -4.927 731 HG22 ILE 92 2HG2 ILE 92 -1.923 13.831 -5.162 732 HG23 ILE 92 3HG2 ILE 92 -3.289 14.908 -4.842 733 HD11 ILE 92 3HD1 ILE 92 -5.259 13.078 -3.364 734 HD12 ILE 92 1HD1 ILE 92 -5.710 13.479 -1.708 735 HD13 ILE 92 2HD1 ILE 92 -4.534 12.202 -2.014 736 HA PRO 93 HA PRO 93 1.690 12.233 -5.226 737 HB2 PRO 93 2HB PRO 93 2.982 12.213 -2.515 738 HB3 PRO 93 1HB PRO 93 3.679 12.752 -4.037 739 HG2 PRO 93 2HG PRO 93 2.713 14.629 -2.453 740 HG3 PRO 93 1HG PRO 93 2.276 14.648 -4.169 741 HD2 PRO 93 2HD PRO 93 0.608 13.854 -1.846 742 HD3 PRO 93 1HD PRO 93 0.162 14.685 -3.350 743 H LEU 94 H LEU 94 1.141 10.651 -2.030 744 HA LEU 94 HA LEU 94 2.123 8.069 -2.669 745 HB2 LEU 94 2HB LEU 94 -0.110 8.966 -0.840 746 HB3 LEU 94 1HB LEU 94 0.203 7.274 -1.087 747 HG LEU 94 HG LEU 94 2.372 7.558 0.016 748 HD11 LEU 94 1HD1 LEU 94 1.630 10.373 0.510 749 HD12 LEU 94 2HD1 LEU 94 2.885 9.777 -0.560 750 HD13 LEU 94 3HD1 LEU 94 3.006 9.496 1.182 751 HD21 LEU 94 3HD2 LEU 94 1.577 7.952 2.265 752 HD22 LEU 94 1HD2 LEU 94 0.521 6.887 1.344 753 HD23 LEU 94 2HD2 LEU 94 0.063 8.568 1.608 754 H VAL 95 H VAL 95 -1.150 9.500 -3.085 755 HA VAL 95 HA VAL 95 -2.346 7.254 -4.174 756 HB VAL 95 HB VAL 95 -4.104 8.424 -4.364 757 HG11 VAL 95 1HG1 VAL 95 -3.019 9.933 -2.246 758 HG12 VAL 95 2HG1 VAL 95 -4.059 8.514 -2.312 759 HG13 VAL 95 3HG1 VAL 95 -4.678 10.077 -2.841 760 HG21 VAL 95 3HG2 VAL 95 -3.869 9.790 -6.162 761 HG22 VAL 95 1HG2 VAL 95 -2.858 10.954 -5.281 762 HG23 VAL 95 2HG2 VAL 95 -4.583 10.770 -4.888 763 H SER 96 H SER 96 -0.694 9.830 -5.488 764 HA SER 96 HA SER 96 -1.227 9.363 -8.283 765 HB2 SER 96 2HB SER 96 -0.852 11.555 -7.116 766 HB3 SER 96 1HB SER 96 0.853 11.163 -7.105 767 HG SER 96 HG SER 96 -0.639 11.126 -9.505 768 H ILE 97 H ILE 97 0.663 7.700 -6.235 769 HA ILE 97 HA ILE 97 3.109 7.393 -7.614 770 HB ILE 97 HB ILE 97 2.213 6.469 -5.233 771 HG12 ILE 97 2HG1 ILE 97 4.119 4.854 -5.248 772 HG13 ILE 97 1HG1 ILE 97 4.367 5.267 -6.941 773 HG21 ILE 97 1HG2 ILE 97 2.008 4.043 -7.019 774 HG22 ILE 97 2HG2 ILE 97 0.681 4.821 -6.172 775 HG23 ILE 97 3HG2 ILE 97 1.968 4.033 -5.254 776 HD11 ILE 97 3HD1 ILE 97 4.694 7.630 -6.280 777 HD12 ILE 97 1HD1 ILE 97 5.867 6.544 -5.531 778 HD13 ILE 97 2HD1 ILE 97 4.500 7.142 -4.596 779 H TRP 98 H TRP 98 -0.032 6.441 -8.218 780 HA TRP 98 HA TRP 98 0.137 4.203 -9.869 781 HB2 TRP 98 2HB TRP 98 -1.912 5.093 -8.793 782 HB3 TRP 98 1HB TRP 98 -1.817 6.513 -9.820 783 HD1 TRP 98 HD1 TRP 98 -2.393 2.745 -10.055 784 HE1 TRP 98 HE1 TRP 98 -3.910 2.277 -12.112 785 HE3 TRP 98 HE3 TRP 98 -2.672 7.467 -11.947 786 HZ2 TRP 98 HZ2 TRP 98 -5.051 3.728 -14.227 787 HZ3 TRP 98 HZ3 TRP 98 -4.000 7.854 -13.984 788 HH2 TRP 98 HH2 TRP 98 -5.162 6.020 -15.097 789 H GLY 99 H GLY 99 1.558 4.308 -11.489 790 HA2 GLY 99 2HA GLY 99 1.086 5.695 -13.831 791 HA3 GLY 99 1HA GLY 99 2.272 6.626 -12.919 792 HA PRO 100 HA PRO 100 4.577 3.220 -14.968 793 HB2 PRO 100 2HB PRO 100 5.960 4.805 -16.766 794 HB3 PRO 100 1HB PRO 100 4.441 3.984 -17.130 795 HG2 PRO 100 2HG PRO 100 4.914 6.807 -16.906 796 HG3 PRO 100 1HG PRO 100 3.396 5.988 -17.267 797 HD2 PRO 100 2HD PRO 100 4.367 7.103 -14.714 798 HD3 PRO 100 1HD PRO 100 2.704 6.767 -15.242 799 H ARG 101 H ARG 101 5.140 4.591 -12.609 800 HA ARG 101 HA ARG 101 8.014 4.648 -12.677 801 HB2 ARG 101 2HB ARG 101 7.208 6.968 -12.813 802 HB3 ARG 101 1HB ARG 101 6.236 6.712 -11.373 803 HG2 ARG 101 2HG ARG 101 8.182 6.299 -10.099 804 HG3 ARG 101 1HG ARG 101 9.211 6.506 -11.526 805 HD2 ARG 101 2HD ARG 101 8.298 8.824 -11.756 806 HD3 ARG 101 1HD ARG 101 7.461 8.603 -10.222 807 HE ARG 101 HE ARG 101 10.095 8.055 -9.694 808 HH11 ARG 101 1HH1 ARG 101 8.274 10.850 -10.886 809 HH12 ARG 101 2HH1 ARG 101 9.424 11.992 -10.338 810 HH21 ARG 101 1HH2 ARG 101 11.638 9.568 -8.983 811 HH22 ARG 101 2HH2 ARG 101 11.415 11.256 -9.218 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 -3.883 14.073 12.326 2 H2 GLY 1 2H GLY 1 -2.505 14.956 12.706 3 H3 GLY 1 3H GLY 1 -2.865 13.542 13.580 4 HA2 GLY 1 1HA GLY 1 -1.107 13.141 12.020 5 HA3 GLY 1 2HA GLY 1 -2.555 12.250 11.566 6 HA PRO 2 HA PRO 2 -1.466 14.471 7.800 7 HB2 PRO 2 2HB PRO 2 -2.563 12.774 6.055 8 HB3 PRO 2 1HB PRO 2 -1.047 12.379 6.878 9 HG2 PRO 2 2HG PRO 2 -3.831 11.475 7.512 10 HG3 PRO 2 1HG PRO 2 -2.336 10.522 7.451 11 HD2 PRO 2 2HD PRO 2 -3.426 11.468 9.765 12 HD3 PRO 2 1HD PRO 2 -1.685 11.186 9.555 13 H LEU 3 H LEU 3 -2.710 15.378 6.086 14 HA LEU 3 HA LEU 3 -5.400 16.125 6.903 15 HB2 LEU 3 2HB LEU 3 -3.658 17.107 4.628 16 HB3 LEU 3 1HB LEU 3 -5.188 17.801 5.115 17 HG LEU 3 HG LEU 3 -2.638 17.833 6.735 18 HD11 LEU 3 1HD1 LEU 3 -4.068 20.019 5.240 19 HD12 LEU 3 2HD1 LEU 3 -2.518 19.292 4.811 20 HD13 LEU 3 3HD1 LEU 3 -2.668 20.240 6.289 21 HD21 LEU 3 3HD2 LEU 3 -4.591 17.764 8.190 22 HD22 LEU 3 1HD2 LEU 3 -5.332 19.091 7.292 23 HD23 LEU 3 2HD2 LEU 3 -3.861 19.366 8.223 24 H GLY 4 H GLY 4 -3.478 14.721 4.320 25 HA2 GLY 4 2HA GLY 4 -3.992 13.187 2.681 26 HA3 GLY 4 1HA GLY 4 -5.507 12.884 3.532 27 H SER 5 H SER 5 -7.299 13.942 3.014 28 HA SER 5 HA SER 5 -8.818 15.222 1.937 29 HB2 SER 5 2HB SER 5 -6.464 16.593 0.756 30 HB3 SER 5 1HB SER 5 -8.109 17.216 0.716 31 HG SER 5 HG SER 5 -7.340 16.571 3.251 32 H MET 6 H MET 6 -6.604 13.260 0.329 33 HA MET 6 HA MET 6 -6.332 12.388 -1.597 34 HB2 MET 6 2HB MET 6 -8.751 11.923 -1.241 35 HB3 MET 6 1HB MET 6 -9.141 13.214 -2.367 36 HG2 MET 6 2HG MET 6 -7.766 11.959 -4.135 37 HG3 MET 6 1HG MET 6 -7.647 10.669 -2.963 38 HE1 MET 6 3HE MET 6 -11.294 9.376 -2.604 39 HE2 MET 6 1HE MET 6 -10.465 10.538 -1.569 40 HE3 MET 6 2HE MET 6 -9.605 9.123 -2.172 41 H ASP 7 H ASP 7 -5.658 14.765 -1.075 42 HA ASP 7 HA ASP 7 -4.931 16.002 -3.657 43 HB2 ASP 7 2HB ASP 7 -7.221 16.994 -2.803 44 HB3 ASP 7 1HB ASP 7 -6.196 17.837 -1.647 45 H ALA 8 H ALA 8 -3.800 14.633 -1.275 46 HA ALA 8 HA ALA 8 -2.390 16.397 0.307 47 HB1 ALA 8 3HB ALA 8 -2.683 14.032 0.756 48 HB2 ALA 8 1HB ALA 8 -0.995 14.541 0.903 49 HB3 ALA 8 2HB ALA 8 -1.521 13.681 -0.539 50 H GLU 9 H GLU 9 -1.987 15.789 -2.891 51 HA GLU 9 HA GLU 9 0.818 15.960 -3.397 52 HB2 GLU 9 2HB GLU 9 0.021 16.883 -5.651 53 HB3 GLU 9 1HB GLU 9 -0.478 15.250 -5.232 54 HG2 GLU 9 2HG GLU 9 -2.610 15.913 -4.677 55 HG3 GLU 9 1HG GLU 9 -2.237 17.640 -4.674 56 H SER 10 H SER 10 -1.722 18.243 -2.922 57 HA SER 10 HA SER 10 -0.392 20.562 -3.828 58 HB2 SER 10 2HB SER 10 -2.885 20.023 -2.238 59 HB3 SER 10 1HB SER 10 -2.504 21.591 -3.008 60 HG SER 10 HG SER 10 -3.879 19.751 -3.937 61 H ILE 11 H ILE 11 -0.411 18.715 -0.980 62 HA ILE 11 HA ILE 11 -0.070 20.917 0.825 63 HB ILE 11 HB ILE 11 0.272 18.029 1.512 64 HG12 ILE 11 2HG1 ILE 11 -1.794 18.087 0.375 65 HG13 ILE 11 1HG1 ILE 11 -2.129 18.096 2.129 66 HG21 ILE 11 1HG2 ILE 11 0.925 19.635 3.221 67 HG22 ILE 11 2HG2 ILE 11 -0.522 18.760 3.716 68 HG23 ILE 11 3HG2 ILE 11 -0.654 20.414 3.115 69 HD11 ILE 11 3HD1 ILE 11 -3.653 19.442 0.840 70 HD12 ILE 11 1HD1 ILE 11 -2.306 20.340 0.175 71 HD13 ILE 11 2HD1 ILE 11 -2.687 20.494 1.911 72 H ARG 12 H ARG 12 1.768 18.174 -0.468 73 HA ARG 12 HA ARG 12 4.143 19.131 0.923 74 HB2 ARG 12 2HB ARG 12 3.494 16.491 -0.298 75 HB3 ARG 12 1HB ARG 12 5.054 16.907 0.376 76 HG2 ARG 12 2HG ARG 12 2.436 16.797 1.866 77 HG3 ARG 12 1HG ARG 12 3.715 15.589 1.934 78 HD2 ARG 12 2HD ARG 12 5.230 17.319 2.874 79 HD3 ARG 12 1HD ARG 12 3.878 18.453 2.883 80 HE ARG 12 HE ARG 12 3.377 15.974 4.230 81 HH11 ARG 12 1HH1 ARG 12 4.671 19.255 4.651 82 HH12 ARG 12 2HH1 ARG 12 4.328 19.322 6.317 83 HH21 ARG 12 1HH2 ARG 12 2.911 16.094 6.562 84 HH22 ARG 12 2HH2 ARG 12 3.333 17.495 7.408 85 H LEU 13 H LEU 13 3.062 18.274 -2.409 86 HA LEU 13 HA LEU 13 4.167 17.984 -4.296 87 HB2 LEU 13 2HB LEU 13 5.303 20.447 -3.166 88 HB3 LEU 13 1HB LEU 13 5.943 19.900 -4.724 89 HG LEU 13 HG LEU 13 4.402 21.603 -5.216 90 HD11 LEU 13 1HD1 LEU 13 2.851 19.057 -5.505 91 HD12 LEU 13 2HD1 LEU 13 4.042 19.714 -6.629 92 HD13 LEU 13 3HD1 LEU 13 2.530 20.574 -6.341 93 HD21 LEU 13 3HD2 LEU 13 2.135 21.772 -4.274 94 HD22 LEU 13 1HD2 LEU 13 3.391 21.877 -3.039 95 HD23 LEU 13 2HD2 LEU 13 2.479 20.381 -3.244 96 H ASN 14 H ASN 14 5.117 16.035 -3.932 97 HA ASN 14 HA ASN 14 7.848 16.090 -2.802 98 HB2 ASN 14 2HB ASN 14 5.882 15.154 -1.370 99 HB3 ASN 14 1HB ASN 14 5.953 13.773 -2.454 100 HD21 ASN 14 1HD2 ASN 14 7.569 15.528 0.068 101 HD22 ASN 14 2HD2 ASN 14 8.715 14.311 0.439 102 H ASN 15 H ASN 15 8.536 13.348 -3.299 103 HA ASN 15 HA ASN 15 8.129 12.925 -6.134 104 HB2 ASN 15 2HB ASN 15 10.103 14.590 -5.656 105 HB3 ASN 15 1HB ASN 15 10.956 13.147 -5.123 106 HD21 ASN 15 1HD2 ASN 15 9.771 14.928 -7.786 107 HD22 ASN 15 2HD2 ASN 15 10.434 13.938 -9.028 108 H GLU 16 H GLU 16 10.061 11.040 -6.539 109 HA GLU 16 HA GLU 16 8.959 8.559 -5.823 110 HB2 GLU 16 2HB GLU 16 10.496 9.087 -7.699 111 HB3 GLU 16 1HB GLU 16 11.806 9.237 -6.550 112 HG2 GLU 16 2HG GLU 16 11.567 6.876 -5.981 113 HG3 GLU 16 1HG GLU 16 10.262 6.728 -7.164 114 H ASN 17 H ASN 17 11.250 10.366 -3.960 115 HA ASN 17 HA ASN 17 12.384 8.343 -2.365 116 HB2 ASN 17 2HB ASN 17 12.872 10.822 -2.540 117 HB3 ASN 17 1HB ASN 17 11.580 11.049 -1.407 118 HD21 ASN 17 1HD2 ASN 17 14.808 9.785 -1.684 119 HD22 ASN 17 2HD2 ASN 17 15.087 9.557 -0.001 120 H LEU 18 H LEU 18 9.277 9.909 -2.254 121 HA LEU 18 HA LEU 18 8.503 9.143 0.356 122 HB2 LEU 18 2HB LEU 18 6.523 10.187 -0.087 123 HB3 LEU 18 1HB LEU 18 7.526 10.944 -1.280 124 HG LEU 18 HG LEU 18 5.424 10.589 -2.240 125 HD11 LEU 18 1HD1 LEU 18 5.699 9.152 -4.094 126 HD12 LEU 18 2HD1 LEU 18 7.061 8.335 -3.294 127 HD13 LEU 18 3HD1 LEU 18 7.231 10.013 -3.781 128 HD21 LEU 18 3HD2 LEU 18 4.566 9.099 -0.675 129 HD22 LEU 18 1HD2 LEU 18 5.667 7.853 -1.232 130 HD23 LEU 18 2HD2 LEU 18 4.342 8.395 -2.301 131 H TRP 19 H TRP 19 8.492 7.448 -2.620 132 HA TRP 19 HA TRP 19 6.764 5.392 -1.759 133 HB2 TRP 19 2HB TRP 19 7.093 5.816 -4.129 134 HB3 TRP 19 1HB TRP 19 8.788 5.502 -4.030 135 HD1 TRP 19 HD1 TRP 19 9.541 3.010 -4.417 136 HE1 TRP 19 HE1 TRP 19 8.319 0.765 -4.682 137 HE3 TRP 19 HE3 TRP 19 4.808 4.496 -3.210 138 HZ2 TRP 19 HZ2 TRP 19 5.720 -0.256 -4.409 139 HZ3 TRP 19 HZ3 TRP 19 3.007 2.815 -3.219 140 HH2 TRP 19 HH2 TRP 19 3.457 0.489 -3.812 141 H ALA 20 H ALA 20 10.194 5.989 -1.473 142 HA ALA 20 HA ALA 20 10.906 3.372 -0.639 143 HB1 ALA 20 3HB ALA 20 12.578 4.926 -1.481 144 HB2 ALA 20 1HB ALA 20 12.987 4.382 0.142 145 HB3 ALA 20 2HB ALA 20 12.309 6.002 -0.109 146 H TRP 21 H TRP 21 9.697 6.213 0.974 147 HA TRP 21 HA TRP 21 9.969 5.354 3.645 148 HB2 TRP 21 2HB TRP 21 9.332 7.665 3.211 149 HB3 TRP 21 1HB TRP 21 7.890 7.150 2.344 150 HD1 TRP 21 HD1 TRP 21 9.231 7.641 5.893 151 HE1 TRP 21 HE1 TRP 21 7.288 7.535 7.556 152 HE3 TRP 21 HE3 TRP 21 5.511 6.135 2.723 153 HZ2 TRP 21 HZ2 TRP 21 4.538 6.891 7.542 154 HZ3 TRP 21 HZ3 TRP 21 3.257 5.788 3.634 155 HH2 TRP 21 HH2 TRP 21 2.781 6.159 5.995 156 H LEU 22 H LEU 22 7.396 5.042 1.288 157 HA LEU 22 HA LEU 22 5.466 3.751 2.792 158 HB2 LEU 22 2HB LEU 22 5.186 4.788 0.535 159 HB3 LEU 22 1HB LEU 22 6.033 3.441 -0.168 160 HG LEU 22 HG LEU 22 3.583 3.403 -0.531 161 HD11 LEU 22 1HD1 LEU 22 3.146 1.074 0.035 162 HD12 LEU 22 2HD1 LEU 22 4.601 1.056 1.035 163 HD13 LEU 22 3HD1 LEU 22 4.729 1.317 -0.702 164 HD21 LEU 22 3HD2 LEU 22 3.413 2.992 2.448 165 HD22 LEU 22 1HD2 LEU 22 2.079 2.811 1.309 166 HD23 LEU 22 2HD2 LEU 22 2.834 4.387 1.537 167 H VAL 23 H VAL 23 7.897 2.325 0.664 168 HA VAL 23 HA VAL 23 7.243 -0.332 0.962 169 HB VAL 23 HB VAL 23 9.933 0.966 0.451 170 HG11 VAL 23 1HG1 VAL 23 10.292 -1.298 1.304 171 HG12 VAL 23 2HG1 VAL 23 10.716 -1.149 -0.397 172 HG13 VAL 23 3HG1 VAL 23 9.198 -1.940 0.067 173 HG21 VAL 23 3HG2 VAL 23 8.224 1.408 -1.220 174 HG22 VAL 23 1HG2 VAL 23 7.926 -0.320 -1.391 175 HG23 VAL 23 2HG2 VAL 23 9.481 0.356 -1.875 176 H ARG 24 H ARG 24 9.640 1.484 2.876 177 HA ARG 24 HA ARG 24 10.087 -0.835 4.495 178 HB2 ARG 24 2HB ARG 24 11.169 1.961 4.835 179 HB3 ARG 24 1HB ARG 24 11.669 0.564 5.786 180 HG2 ARG 24 2HG ARG 24 11.967 0.864 2.807 181 HG3 ARG 24 1HG ARG 24 13.252 1.079 3.998 182 HD2 ARG 24 2HD ARG 24 13.140 -1.239 4.625 183 HD3 ARG 24 1HD ARG 24 11.696 -1.494 3.656 184 HE ARG 24 HE ARG 24 13.505 -0.637 1.868 185 HH11 ARG 24 1HH1 ARG 24 13.636 -3.203 4.316 186 HH12 ARG 24 2HH1 ARG 24 14.556 -4.275 3.383 187 HH21 ARG 24 1HH2 ARG 24 14.752 -2.177 0.525 188 HH22 ARG 24 2HH2 ARG 24 15.172 -3.693 1.184 189 H LEU 25 H LEU 25 8.085 1.956 4.849 190 HA LEU 25 HA LEU 25 7.680 1.582 7.653 191 HB2 LEU 25 2HB LEU 25 7.262 3.680 6.229 192 HB3 LEU 25 1HB LEU 25 5.815 2.904 5.668 193 HG LEU 25 HG LEU 25 5.317 4.616 7.327 194 HD11 LEU 25 1HD1 LEU 25 4.730 1.901 8.446 195 HD12 LEU 25 2HD1 LEU 25 3.800 2.773 7.235 196 HD13 LEU 25 3HD1 LEU 25 3.918 3.409 8.876 197 HD21 LEU 25 3HD2 LEU 25 5.996 4.449 9.644 198 HD22 LEU 25 1HD2 LEU 25 7.397 4.563 8.584 199 HD23 LEU 25 2HD2 LEU 25 6.934 3.006 9.288 200 H LEU 26 H LEU 26 5.929 0.559 4.742 201 HA LEU 26 HA LEU 26 3.906 -0.879 6.105 202 HB2 LEU 26 2HB LEU 26 4.950 -1.047 3.326 203 HB3 LEU 26 1HB LEU 26 3.502 -1.833 3.928 204 HG LEU 26 HG LEU 26 3.910 0.948 3.092 205 HD11 LEU 26 1HD1 LEU 26 2.467 -0.644 2.046 206 HD12 LEU 26 2HD1 LEU 26 1.506 0.696 2.793 207 HD13 LEU 26 3HD1 LEU 26 1.756 -0.853 3.658 208 HD21 LEU 26 3HD2 LEU 26 2.324 1.944 4.637 209 HD22 LEU 26 1HD2 LEU 26 3.697 1.321 5.544 210 HD23 LEU 26 2HD2 LEU 26 2.175 0.426 5.524 211 H SER 27 H SER 27 7.211 -1.599 5.218 212 HA SER 27 HA SER 27 6.905 -4.409 5.376 213 HB2 SER 27 2HB SER 27 9.314 -4.530 5.184 214 HB3 SER 27 1HB SER 27 8.882 -3.055 4.323 215 HG SER 27 HG SER 27 9.376 -1.932 6.363 216 H LYS 28 H LYS 28 6.778 -1.947 7.665 217 HA LYS 28 HA LYS 28 7.551 -3.666 9.852 218 HB2 LYS 28 2HB LYS 28 6.574 -0.840 10.043 219 HB3 LYS 28 1HB LYS 28 7.506 -1.752 11.228 220 HG2 LYS 28 2HG LYS 28 9.263 -1.897 9.268 221 HG3 LYS 28 1HG LYS 28 8.297 -0.637 8.643 222 HD2 LYS 28 2HD LYS 28 9.461 -0.506 11.371 223 HD3 LYS 28 1HD LYS 28 10.265 0.160 9.943 224 HE2 LYS 28 2HE LYS 28 8.232 1.538 9.557 225 HE3 LYS 28 1HE LYS 28 7.611 0.990 11.109 226 HZ1 LYS 28 3HZ LYS 28 8.704 3.110 11.345 227 HZ2 LYS 28 1HZ LYS 28 10.107 2.500 10.635 228 HZ3 LYS 28 2HZ LYS 28 9.606 1.933 12.145 229 H ASN 29 H ASN 29 4.869 -2.889 7.992 230 HA ASN 29 HA ASN 29 2.934 -3.536 10.096 231 HB2 ASN 29 2HB ASN 29 2.787 -1.380 8.044 232 HB3 ASN 29 1HB ASN 29 1.406 -1.870 8.850 233 HD21 ASN 29 1HD2 ASN 29 4.234 -0.016 9.065 234 HD22 ASN 29 2HD2 ASN 29 3.954 0.670 10.629 235 HA PRO 30 HA PRO 30 2.276 -5.753 5.896 236 HB2 PRO 30 2HB PRO 30 2.860 -8.275 7.292 237 HB3 PRO 30 1HB PRO 30 3.569 -7.665 5.796 238 HG2 PRO 30 2HG PRO 30 4.994 -7.836 8.080 239 HG3 PRO 30 1HG PRO 30 5.260 -6.537 6.900 240 HD2 PRO 30 2HD PRO 30 3.697 -6.471 9.465 241 HD3 PRO 30 1HD PRO 30 4.843 -5.278 8.835 242 H GLU 31 H GLU 31 1.654 -6.209 9.170 243 HA GLU 31 HA GLU 31 -0.629 -7.839 9.148 244 HB2 GLU 31 2HB GLU 31 0.240 -5.774 11.161 245 HB3 GLU 31 1HB GLU 31 -0.901 -7.082 11.446 246 HG2 GLU 31 2HG GLU 31 2.019 -7.409 10.776 247 HG3 GLU 31 1HG GLU 31 1.314 -7.550 12.384 248 H TRP 32 H TRP 32 -0.150 -4.239 9.042 249 HA TRP 32 HA TRP 32 -2.967 -3.790 9.171 250 HB2 TRP 32 2HB TRP 32 -1.487 -1.999 9.945 251 HB3 TRP 32 1HB TRP 32 -0.663 -1.968 8.389 252 HD1 TRP 32 HD1 TRP 32 -3.855 -0.729 10.086 253 HE1 TRP 32 HE1 TRP 32 -5.072 0.886 8.520 254 HE3 TRP 32 HE3 TRP 32 -0.977 -1.380 5.975 255 HZ2 TRP 32 HZ2 TRP 32 -4.793 1.809 5.753 256 HZ3 TRP 32 HZ3 TRP 32 -1.467 -0.193 3.965 257 HH2 TRP 32 HH2 TRP 32 -3.354 1.404 3.838 258 H LEU 33 H LEU 33 -0.531 -3.981 6.699 259 HA LEU 33 HA LEU 33 -2.023 -2.976 4.576 260 HB2 LEU 33 2HB LEU 33 0.496 -3.370 4.835 261 HB3 LEU 33 1HB LEU 33 0.181 -5.002 4.359 262 HG LEU 33 HG LEU 33 1.096 -3.541 2.534 263 HD11 LEU 33 1HD1 LEU 33 -1.625 -4.625 2.006 264 HD12 LEU 33 2HD1 LEU 33 -0.123 -5.565 1.969 265 HD13 LEU 33 3HD1 LEU 33 -0.400 -4.258 0.801 266 HD21 LEU 33 3HD2 LEU 33 -1.615 -2.277 2.651 267 HD22 LEU 33 1HD2 LEU 33 -0.372 -1.979 1.440 268 HD23 LEU 33 2HD2 LEU 33 -0.095 -1.512 3.121 269 H SER 34 H SER 34 -1.579 -6.287 5.687 270 HA SER 34 HA SER 34 -3.120 -7.543 3.682 271 HB2 SER 34 2HB SER 34 -2.680 -8.455 6.527 272 HB3 SER 34 1HB SER 34 -3.183 -9.477 5.177 273 HG SER 34 HG SER 34 -0.713 -8.262 5.700 274 H ALA 35 H ALA 35 -4.059 -6.042 6.725 275 HA ALA 35 HA ALA 35 -6.720 -6.953 6.836 276 HB1 ALA 35 3HB ALA 35 -5.527 -5.982 8.777 277 HB2 ALA 35 1HB ALA 35 -7.068 -5.177 8.471 278 HB3 ALA 35 2HB ALA 35 -5.559 -4.410 7.981 279 H LYS 36 H LYS 36 -5.194 -4.174 5.327 280 HA LYS 36 HA LYS 36 -7.698 -3.260 4.377 281 HB2 LYS 36 2HB LYS 36 -4.894 -2.332 3.782 282 HB3 LYS 36 1HB LYS 36 -6.303 -1.660 2.962 283 HG2 LYS 36 2HG LYS 36 -5.623 -1.650 5.838 284 HG3 LYS 36 1HG LYS 36 -5.826 -0.292 4.729 285 HD2 LYS 36 2HD LYS 36 -8.249 -1.103 4.464 286 HD3 LYS 36 1HD LYS 36 -7.936 -2.089 5.900 287 HE2 LYS 36 2HE LYS 36 -7.122 0.004 7.012 288 HE3 LYS 36 1HE LYS 36 -7.703 0.758 5.517 289 HZ1 LYS 36 3HZ LYS 36 -9.248 0.897 7.426 290 HZ2 LYS 36 1HZ LYS 36 -9.486 -0.764 7.345 291 HZ3 LYS 36 2HZ LYS 36 -9.952 0.211 6.049 292 H LEU 37 H LEU 37 -5.118 -5.220 2.951 293 HA LEU 37 HA LEU 37 -5.906 -5.361 0.318 294 HB2 LEU 37 2HB LEU 37 -4.843 -7.598 2.024 295 HB3 LEU 37 1HB LEU 37 -5.020 -7.691 0.290 296 HG LEU 37 HG LEU 37 -3.181 -5.867 1.809 297 HD11 LEU 37 1HD1 LEU 37 -1.415 -7.219 0.799 298 HD12 LEU 37 2HD1 LEU 37 -2.628 -8.235 0.028 299 HD13 LEU 37 3HD1 LEU 37 -2.485 -8.214 1.783 300 HD21 LEU 37 3HD2 LEU 37 -2.283 -5.296 -0.424 301 HD22 LEU 37 1HD2 LEU 37 -3.942 -4.750 -0.187 302 HD23 LEU 37 2HD2 LEU 37 -3.614 -6.188 -1.156 303 H ARG 38 H ARG 38 -7.180 -7.181 3.038 304 HA ARG 38 HA ARG 38 -8.699 -8.907 1.530 305 HB2 ARG 38 2HB ARG 38 -10.119 -9.140 3.552 306 HB3 ARG 38 1HB ARG 38 -8.406 -9.645 3.702 307 HG2 ARG 38 2HG ARG 38 -8.595 -8.400 5.659 308 HG3 ARG 38 1HG ARG 38 -8.335 -7.157 4.456 309 HD2 ARG 38 2HD ARG 38 -10.253 -6.569 5.921 310 HD3 ARG 38 1HD ARG 38 -10.632 -6.686 4.197 311 HE ARG 38 HE ARG 38 -11.121 -9.036 5.832 312 HH11 ARG 38 1HH1 ARG 38 -12.563 -6.162 4.307 313 HH12 ARG 38 2HH1 ARG 38 -14.112 -6.849 4.216 314 HH21 ARG 38 1HH2 ARG 38 -13.286 -9.909 5.738 315 HH22 ARG 38 2HH2 ARG 38 -14.529 -8.979 5.044 316 H SER 39 H SER 39 -9.388 -5.772 2.398 317 HA SER 39 HA SER 39 -12.179 -5.866 1.831 318 HB2 SER 39 2HB SER 39 -11.161 -4.183 3.336 319 HB3 SER 39 1HB SER 39 -10.330 -3.501 1.946 320 HG SER 39 HG SER 39 -13.141 -3.726 2.065 321 H PHE 40 H PHE 40 -9.285 -4.971 0.102 322 HA PHE 40 HA PHE 40 -10.597 -3.968 -2.293 323 HB2 PHE 40 2HB PHE 40 -7.751 -4.422 -1.493 324 HB3 PHE 40 1HB PHE 40 -8.222 -3.693 -3.040 325 HD1 PHE 40 HD1 PHE 40 -9.907 -1.777 -2.789 326 HD2 PHE 40 HD2 PHE 40 -7.388 -3.062 0.311 327 HE1 PHE 40 HE1 PHE 40 -10.235 0.411 -1.643 328 HE2 PHE 40 HE2 PHE 40 -7.673 -0.917 1.481 329 HZ PHE 40 HZ PHE 40 -9.097 0.831 0.502 330 H LEU 41 H LEU 41 -8.573 -6.778 -1.498 331 HA LEU 41 HA LEU 41 -8.892 -7.903 -4.085 332 HB2 LEU 41 2HB LEU 41 -7.583 -8.828 -1.529 333 HB3 LEU 41 1HB LEU 41 -7.727 -9.847 -2.933 334 HG LEU 41 HG LEU 41 -6.357 -8.329 -4.231 335 HD11 LEU 41 1HD1 LEU 41 -6.113 -6.776 -1.719 336 HD12 LEU 41 2HD1 LEU 41 -6.948 -6.325 -3.214 337 HD13 LEU 41 3HD1 LEU 41 -5.177 -6.485 -3.209 338 HD21 LEU 41 3HD2 LEU 41 -4.227 -8.728 -3.081 339 HD22 LEU 41 1HD2 LEU 41 -5.269 -10.151 -3.046 340 HD23 LEU 41 2HD2 LEU 41 -5.110 -9.138 -1.613 341 HA PRO 42 HA PRO 42 -12.757 -9.789 -2.974 342 HB2 PRO 42 2HB PRO 42 -13.086 -11.243 -5.243 343 HB3 PRO 42 1HB PRO 42 -13.356 -9.501 -5.168 344 HG2 PRO 42 2HG PRO 42 -10.987 -11.011 -6.189 345 HG3 PRO 42 1HG PRO 42 -11.763 -9.564 -6.855 346 HD2 PRO 42 2HD PRO 42 -9.463 -9.486 -5.376 347 HD3 PRO 42 1HD PRO 42 -10.623 -8.155 -5.421 348 H THR 43 H THR 43 -10.086 -11.831 -4.161 349 HA THR 43 HA THR 43 -11.260 -14.127 -2.769 350 HB THR 43 HB THR 43 -9.580 -15.397 -4.183 351 HG1 THR 43 HG1 THR 43 -8.117 -14.101 -4.988 352 HG21 THR 43 3HG2 THR 43 -10.871 -15.083 -6.269 353 HG22 THR 43 1HG2 THR 43 -11.520 -13.593 -5.572 354 HG23 THR 43 2HG2 THR 43 -11.924 -15.151 -4.839 355 H MET 44 H MET 44 -9.198 -11.710 -2.287 356 HA MET 44 HA MET 44 -7.312 -11.209 -1.452 357 HB2 MET 44 2HB MET 44 -8.036 -12.865 0.915 358 HB3 MET 44 1HB MET 44 -7.196 -11.362 0.608 359 HG2 MET 44 2HG MET 44 -9.175 -10.762 1.568 360 HG3 MET 44 1HG MET 44 -9.195 -10.256 -0.107 361 HE1 MET 44 3HE MET 44 -11.642 -13.778 1.571 362 HE2 MET 44 1HE MET 44 -10.604 -12.739 2.543 363 HE3 MET 44 2HE MET 44 -9.890 -13.858 1.374 364 H ASP 45 H ASP 45 -5.711 -12.128 -2.713 365 HA ASP 45 HA ASP 45 -4.423 -14.321 -1.330 366 HB2 ASP 45 2HB ASP 45 -2.743 -14.277 -3.323 367 HB3 ASP 45 1HB ASP 45 -4.322 -14.984 -3.591 368 H LEU 46 H LEU 46 -4.173 -13.012 0.341 369 HA LEU 46 HA LEU 46 -2.215 -10.883 0.125 370 HB2 LEU 46 2HB LEU 46 -2.995 -10.243 2.412 371 HB3 LEU 46 1HB LEU 46 -4.244 -10.219 1.186 372 HG LEU 46 HG LEU 46 -5.031 -12.447 2.104 373 HD11 LEU 46 1HD1 LEU 46 -3.060 -13.090 3.365 374 HD12 LEU 46 2HD1 LEU 46 -4.481 -12.989 4.402 375 HD13 LEU 46 3HD1 LEU 46 -3.276 -11.702 4.432 376 HD21 LEU 46 3HD2 LEU 46 -6.250 -11.370 3.949 377 HD22 LEU 46 1HD2 LEU 46 -6.215 -10.374 2.495 378 HD23 LEU 46 2HD2 LEU 46 -5.156 -9.987 3.840 379 H ASP 47 H ASP 47 -2.334 -14.036 0.674 380 HA ASP 47 HA ASP 47 -0.473 -14.420 2.815 381 HB2 ASP 47 2HB ASP 47 -2.248 -16.044 2.161 382 HB3 ASP 47 1HB ASP 47 -1.386 -16.352 0.662 383 H CYS 48 H CYS 48 0.698 -12.656 1.250 384 HA CYS 48 HA CYS 48 2.438 -13.860 -0.729 385 HB2 CYS 48 2HB CYS 48 2.271 -11.016 0.240 386 HB3 CYS 48 1HB CYS 48 3.159 -11.583 -1.168 387 HG CYS 48 HG CYS 48 0.432 -12.717 -1.970 388 H SER 49 H SER 49 2.644 -13.645 2.612 389 HA SER 49 HA SER 49 5.416 -12.904 2.623 390 HB2 SER 49 2HB SER 49 3.667 -13.782 4.936 391 HB3 SER 49 1HB SER 49 5.320 -13.188 5.081 392 HG SER 49 HG SER 49 3.046 -11.826 4.133 393 H TYR 50 H TYR 50 5.696 -14.734 1.072 394 HA TYR 50 HA TYR 50 6.290 -17.277 2.270 395 HB2 TYR 50 2HB TYR 50 7.704 -17.276 -0.031 396 HB3 TYR 50 1HB TYR 50 5.995 -17.779 0.099 397 HD1 TYR 50 HD1 TYR 50 8.131 -14.752 -0.585 398 HD2 TYR 50 HD2 TYR 50 4.487 -16.796 -1.348 399 HE1 TYR 50 HE1 TYR 50 7.565 -13.096 -2.310 400 HE2 TYR 50 HE2 TYR 50 3.909 -15.144 -3.053 401 HH TYR 50 HH TYR 50 6.158 -12.877 -4.250 402 H GLU 51 H GLU 51 7.784 -14.438 1.633 403 HA GLU 51 HA GLU 51 10.305 -15.248 2.775 404 HB2 GLU 51 2HB GLU 51 9.401 -13.147 0.842 405 HB3 GLU 51 1HB GLU 51 10.936 -13.088 1.632 406 HG2 GLU 51 2HG GLU 51 11.433 -15.328 0.589 407 HG3 GLU 51 1HG GLU 51 9.979 -15.130 -0.376 408 HA PRO 52 HA PRO 52 9.093 -12.261 5.932 409 HB2 PRO 52 2HB PRO 52 11.202 -10.535 6.179 410 HB3 PRO 52 1HB PRO 52 11.243 -12.186 6.792 411 HG2 PRO 52 2HG PRO 52 12.291 -11.132 4.190 412 HG3 PRO 52 1HG PRO 52 13.107 -12.172 5.375 413 HD2 PRO 52 2HD PRO 52 12.011 -13.223 3.210 414 HD3 PRO 52 1HD PRO 52 11.860 -14.036 4.778 415 H SER 53 H SER 53 9.793 -9.490 6.076 416 HA SER 53 HA SER 53 7.694 -8.420 4.467 417 HB2 SER 53 2HB SER 53 9.600 -7.078 6.381 418 HB3 SER 53 1HB SER 53 8.049 -6.449 5.821 419 HG SER 53 HG SER 53 7.273 -8.612 6.656 420 H ASN 54 H ASN 54 9.781 -9.300 2.821 421 HA ASN 54 HA ASN 54 11.697 -7.477 1.995 422 HB2 ASN 54 2HB ASN 54 10.289 -9.784 0.828 423 HB3 ASN 54 1HB ASN 54 11.380 -8.879 -0.179 424 HD21 ASN 54 1HD2 ASN 54 11.676 -11.569 0.441 425 HD22 ASN 54 2HD2 ASN 54 13.069 -11.763 1.436 426 HA PRO 55 HA PRO 55 9.493 -4.410 -0.318 427 HB2 PRO 55 2HB PRO 55 11.268 -4.137 -2.440 428 HB3 PRO 55 1HB PRO 55 11.381 -3.300 -0.891 429 HG2 PRO 55 2HG PRO 55 12.825 -5.721 -1.845 430 HG3 PRO 55 1HG PRO 55 13.396 -4.398 -0.813 431 HD2 PRO 55 2HD PRO 55 12.727 -6.818 0.173 432 HD3 PRO 55 1HD PRO 55 12.467 -5.326 1.095 433 H GLU 56 H GLU 56 10.690 -7.263 -2.032 434 HA GLU 56 HA GLU 56 9.089 -6.918 -4.367 435 HB2 GLU 56 2HB GLU 56 10.188 -9.502 -3.222 436 HB3 GLU 56 1HB GLU 56 9.574 -9.278 -4.846 437 HG2 GLU 56 2HG GLU 56 11.935 -9.316 -5.006 438 HG3 GLU 56 1HG GLU 56 11.416 -7.643 -5.208 439 H VAL 57 H VAL 57 8.785 -8.591 -1.360 440 HA VAL 57 HA VAL 57 6.371 -9.905 -1.806 441 HB VAL 57 HB VAL 57 7.666 -8.963 0.773 442 HG11 VAL 57 1HG1 VAL 57 5.424 -10.943 0.449 443 HG12 VAL 57 2HG1 VAL 57 5.260 -9.306 1.096 444 HG13 VAL 57 3HG1 VAL 57 6.256 -10.507 1.948 445 HG21 VAL 57 3HG2 VAL 57 8.379 -11.252 1.023 446 HG22 VAL 57 1HG2 VAL 57 8.957 -10.605 -0.514 447 HG23 VAL 57 2HG2 VAL 57 7.572 -11.702 -0.480 448 H ILE 58 H ILE 58 7.166 -6.875 -0.248 449 HA ILE 58 HA ILE 58 4.581 -5.967 0.327 450 HB ILE 58 HB ILE 58 7.076 -4.359 -0.274 451 HG12 ILE 58 2HG1 ILE 58 7.382 -5.812 1.652 452 HG13 ILE 58 1HG1 ILE 58 7.238 -4.135 2.163 453 HG21 ILE 58 1HG2 ILE 58 5.150 -2.949 -0.574 454 HG22 ILE 58 2HG2 ILE 58 6.002 -2.491 0.907 455 HG23 ILE 58 3HG2 ILE 58 4.509 -3.435 0.994 456 HD11 ILE 58 3HD1 ILE 58 4.930 -4.538 2.854 457 HD12 ILE 58 1HD1 ILE 58 6.059 -5.618 3.674 458 HD13 ILE 58 2HD1 ILE 58 5.082 -6.225 2.347 459 H HIS 59 H HIS 59 6.609 -5.405 -2.539 460 HA HIS 59 HA HIS 59 4.891 -3.706 -3.909 461 HB2 HIS 59 2HB HIS 59 7.255 -4.176 -4.595 462 HB3 HIS 59 1HB HIS 59 6.736 -5.737 -5.201 463 HD1 HIS 59 HD1 HIS 59 5.437 -5.761 -7.515 464 HD2 HIS 59 HD2 HIS 59 6.463 -1.960 -6.149 465 HE1 HIS 59 HE1 HIS 59 5.047 -4.242 -9.422 466 HE2 HIS 59 HE2 HIS 59 6.137 -2.113 -8.682 467 H ARG 60 H ARG 60 4.873 -7.243 -3.808 468 HA ARG 60 HA ARG 60 3.034 -7.690 -5.870 469 HB2 ARG 60 2HB ARG 60 4.358 -9.457 -4.887 470 HB3 ARG 60 1HB ARG 60 3.568 -9.225 -3.340 471 HG2 ARG 60 2HG ARG 60 1.513 -9.923 -4.163 472 HG3 ARG 60 1HG ARG 60 2.114 -10.027 -5.832 473 HD2 ARG 60 2HD ARG 60 3.714 -11.758 -5.015 474 HD3 ARG 60 1HD ARG 60 2.894 -11.701 -3.456 475 HE ARG 60 HE ARG 60 0.854 -12.159 -5.042 476 HH11 ARG 60 1HH1 ARG 60 3.990 -13.756 -4.813 477 HH12 ARG 60 2HH1 ARG 60 3.508 -15.190 -5.584 478 HH21 ARG 60 1HH2 ARG 60 0.155 -14.133 -6.137 479 HH22 ARG 60 2HH2 ARG 60 1.270 -15.395 -6.376 480 H GLN 61 H GLN 61 2.643 -7.018 -2.517 481 HA GLN 61 HA GLN 61 -0.131 -7.523 -2.281 482 HB2 GLN 61 2HB GLN 61 1.744 -5.822 -0.662 483 HB3 GLN 61 1HB GLN 61 0.133 -6.318 -0.150 484 HG2 GLN 61 2HG GLN 61 0.774 -8.605 -0.321 485 HG3 GLN 61 1HG GLN 61 2.365 -8.189 -0.864 486 HE21 GLN 61 1HE2 GLN 61 3.850 -7.504 0.593 487 HE22 GLN 61 2HE2 GLN 61 3.617 -7.533 2.313 488 H LEU 62 H LEU 62 1.755 -4.694 -2.647 489 HA LEU 62 HA LEU 62 -0.475 -2.892 -2.831 490 HB2 LEU 62 2HB LEU 62 2.457 -2.525 -3.383 491 HB3 LEU 62 1HB LEU 62 1.323 -1.267 -3.796 492 HG LEU 62 HG LEU 62 2.394 -0.737 -1.690 493 HD11 LEU 62 1HD1 LEU 62 -0.443 -1.577 -1.184 494 HD12 LEU 62 2HD1 LEU 62 0.089 -0.058 -1.904 495 HD13 LEU 62 3HD1 LEU 62 0.494 -0.430 -0.231 496 HD21 LEU 62 3HD2 LEU 62 2.148 -2.107 0.310 497 HD22 LEU 62 1HD2 LEU 62 3.006 -2.979 -0.959 498 HD23 LEU 62 2HD2 LEU 62 1.312 -3.341 -0.636 499 H ASN 63 H ASN 63 1.400 -4.651 -5.173 500 HA ASN 63 HA ASN 63 0.717 -3.564 -7.588 501 HB2 ASN 63 2HB ASN 63 2.268 -5.473 -7.065 502 HB3 ASN 63 1HB ASN 63 0.830 -6.453 -6.836 503 HD21 ASN 63 1HD2 ASN 63 1.050 -4.052 -9.361 504 HD22 ASN 63 2HD2 ASN 63 1.072 -5.222 -10.617 505 H ARG 64 H ARG 64 -0.904 -6.105 -5.782 506 HA ARG 64 HA ARG 64 -3.099 -6.562 -7.340 507 HB2 ARG 64 2HB ARG 64 -2.539 -6.876 -4.450 508 HB3 ARG 64 1HB ARG 64 -4.198 -7.052 -4.991 509 HG2 ARG 64 2HG ARG 64 -1.897 -8.610 -6.119 510 HG3 ARG 64 1HG ARG 64 -2.923 -9.187 -4.800 511 HD2 ARG 64 2HD ARG 64 -4.848 -8.666 -6.425 512 HD3 ARG 64 1HD ARG 64 -3.613 -8.645 -7.674 513 HE ARG 64 HE ARG 64 -3.758 -11.005 -5.960 514 HH11 ARG 64 1HH1 ARG 64 -4.261 -9.636 -9.168 515 HH12 ARG 64 2HH1 ARG 64 -4.795 -11.090 -9.875 516 HH21 ARG 64 1HH2 ARG 64 -4.556 -12.938 -6.858 517 HH22 ARG 64 2HH2 ARG 64 -4.950 -13.045 -8.521 518 H LEU 65 H LEU 65 -2.597 -3.922 -5.091 519 HA LEU 65 HA LEU 65 -5.352 -3.186 -4.972 520 HB2 LEU 65 2HB LEU 65 -2.905 -1.629 -4.274 521 HB3 LEU 65 1HB LEU 65 -4.552 -1.111 -3.952 522 HG LEU 65 HG LEU 65 -3.141 -3.489 -2.760 523 HD11 LEU 65 1HD1 LEU 65 -4.277 -0.977 -1.683 524 HD12 LEU 65 2HD1 LEU 65 -2.546 -1.298 -1.890 525 HD13 LEU 65 3HD1 LEU 65 -3.501 -2.230 -0.713 526 HD21 LEU 65 3HD2 LEU 65 -5.205 -3.732 -1.442 527 HD22 LEU 65 1HD2 LEU 65 -5.453 -4.048 -3.163 528 HD23 LEU 65 2HD2 LEU 65 -5.949 -2.506 -2.466 529 H PHE 66 H PHE 66 -2.602 -2.015 -6.804 530 HA PHE 66 HA PHE 66 -4.138 0.003 -8.094 531 HB2 PHE 66 2HB PHE 66 -1.641 0.090 -7.922 532 HB3 PHE 66 1HB PHE 66 -1.546 -1.276 -9.027 533 HD1 PHE 66 HD1 PHE 66 -2.878 2.191 -8.793 534 HD2 PHE 66 HD2 PHE 66 -1.361 -0.881 -11.304 535 HE1 PHE 66 HE1 PHE 66 -2.882 3.750 -10.697 536 HE2 PHE 66 HE2 PHE 66 -1.364 0.666 -13.213 537 HZ PHE 66 HZ PHE 66 -2.126 2.988 -12.910 538 H ALA 67 H ALA 67 -3.582 -3.358 -8.571 539 HA ALA 67 HA ALA 67 -4.667 -3.571 -11.166 540 HB1 ALA 67 3HB ALA 67 -4.542 -5.669 -8.996 541 HB2 ALA 67 1HB ALA 67 -3.268 -5.332 -10.168 542 HB3 ALA 67 2HB ALA 67 -4.820 -5.964 -10.712 543 H GLN 68 H GLN 68 -6.184 -3.446 -7.893 544 HA GLN 68 HA GLN 68 -8.718 -4.266 -8.710 545 HB2 GLN 68 2HB GLN 68 -7.757 -2.472 -6.515 546 HB3 GLN 68 1HB GLN 68 -9.423 -2.940 -6.694 547 HG2 GLN 68 2HG GLN 68 -7.097 -4.436 -5.519 548 HG3 GLN 68 1HG GLN 68 -8.728 -4.281 -5.081 549 HE21 GLN 68 1HE2 GLN 68 -6.949 -6.637 -5.662 550 HE22 GLN 68 2HE2 GLN 68 -7.964 -7.716 -6.551 551 H GLY 69 H GLY 69 -7.003 -1.208 -8.509 552 HA2 GLY 69 2HA GLY 69 -8.544 0.178 -10.502 553 HA3 GLY 69 1HA GLY 69 -9.091 0.496 -8.898 554 H MET 70 H MET 70 -7.432 1.889 -11.106 555 HA MET 70 HA MET 70 -5.224 2.882 -9.578 556 HB2 MET 70 2HB MET 70 -5.129 4.765 -11.149 557 HB3 MET 70 1HB MET 70 -5.354 3.282 -12.053 558 HG2 MET 70 2HG MET 70 -7.695 3.798 -12.388 559 HG3 MET 70 1HG MET 70 -7.557 5.230 -11.372 560 HE1 MET 70 3HE MET 70 -4.724 6.461 -12.319 561 HE2 MET 70 1HE MET 70 -6.195 7.400 -12.043 562 HE3 MET 70 2HE MET 70 -5.298 7.582 -13.549 563 H ALA 71 H ALA 71 -8.557 3.360 -9.754 564 HA ALA 71 HA ALA 71 -8.737 5.709 -8.109 565 HB1 ALA 71 3HB ALA 71 -10.508 5.140 -9.694 566 HB2 ALA 71 1HB ALA 71 -11.164 5.057 -8.054 567 HB3 ALA 71 2HB ALA 71 -10.716 3.577 -8.920 568 H THR 72 H THR 72 -9.195 2.183 -7.675 569 HA THR 72 HA THR 72 -9.750 2.085 -5.003 570 HB THR 72 HB THR 72 -8.106 0.203 -6.721 571 HG1 THR 72 HG1 THR 72 -10.839 0.584 -6.288 572 HG21 THR 72 3HG2 THR 72 -8.869 -1.556 -5.020 573 HG22 THR 72 1HG2 THR 72 -9.480 -0.253 -4.045 574 HG23 THR 72 2HG2 THR 72 -7.754 -0.394 -4.327 575 H TRP 73 H TRP 73 -6.647 2.268 -6.637 576 HA TRP 73 HA TRP 73 -4.958 2.012 -4.459 577 HB2 TRP 73 2HB TRP 73 -4.223 1.847 -6.784 578 HB3 TRP 73 1HB TRP 73 -4.577 3.550 -7.031 579 HD1 TRP 73 HD1 TRP 73 -2.643 5.241 -6.484 580 HE1 TRP 73 HE1 TRP 73 -0.279 5.008 -5.581 581 HE3 TRP 73 HE3 TRP 73 -2.809 0.357 -5.003 582 HZ2 TRP 73 HZ2 TRP 73 1.316 3.082 -4.403 583 HZ3 TRP 73 HZ3 TRP 73 -0.793 -0.591 -3.986 584 HH2 TRP 73 HH2 TRP 73 1.231 0.751 -3.691 585 H LYS 74 H LYS 74 -6.349 5.076 -5.908 586 HA LYS 74 HA LYS 74 -4.862 6.646 -4.147 587 HB2 LYS 74 2HB LYS 74 -5.657 8.385 -5.478 588 HB3 LYS 74 1HB LYS 74 -6.071 6.944 -6.450 589 HG2 LYS 74 2HG LYS 74 -8.287 7.047 -5.774 590 HG3 LYS 74 1HG LYS 74 -7.874 8.397 -4.676 591 HD2 LYS 74 2HD LYS 74 -8.881 9.198 -6.748 592 HD3 LYS 74 1HD LYS 74 -7.209 9.749 -6.484 593 HE2 LYS 74 2HE LYS 74 -6.417 8.046 -8.048 594 HE3 LYS 74 1HE LYS 74 -8.079 7.513 -8.314 595 HZ1 LYS 74 3HZ LYS 74 -6.956 10.173 -8.989 596 HZ2 LYS 74 1HZ LYS 74 -8.568 9.716 -9.195 597 HZ3 LYS 74 2HZ LYS 74 -7.356 8.959 -10.077 598 H SER 75 H SER 75 -8.118 5.319 -4.048 599 HA SER 75 HA SER 75 -9.011 6.690 -1.842 600 HB2 SER 75 2HB SER 75 -9.640 4.002 -3.019 601 HB3 SER 75 1HB SER 75 -10.624 4.880 -1.855 602 HG SER 75 HG SER 75 -11.368 6.066 -3.394 603 H PHE 76 H PHE 76 -7.344 3.598 -2.272 604 HA PHE 76 HA PHE 76 -7.245 2.651 0.333 605 HB2 PHE 76 2HB PHE 76 -6.549 1.230 -1.461 606 HB3 PHE 76 1HB PHE 76 -5.343 2.372 -1.979 607 HD1 PHE 76 HD2 PHE 76 -6.154 0.201 0.924 608 HD2 PHE 76 HD1 PHE 76 -3.152 2.218 -1.290 609 HE1 PHE 76 HE2 PHE 76 -4.418 -0.876 2.296 610 HE2 PHE 76 HE1 PHE 76 -1.409 1.156 0.079 611 HZ PHE 76 HZ PHE 76 -2.048 -0.406 1.871 612 H ILE 77 H ILE 77 -4.966 4.703 -1.373 613 HA ILE 77 HA ILE 77 -3.019 4.836 0.612 614 HB ILE 77 HB ILE 77 -3.671 6.816 -1.557 615 HG12 ILE 77 2HG1 ILE 77 -3.091 4.610 -2.420 616 HG13 ILE 77 1HG1 ILE 77 -1.820 5.761 -2.787 617 HG21 ILE 77 1HG2 ILE 77 -1.502 7.717 -1.296 618 HG22 ILE 77 2HG2 ILE 77 -1.099 6.565 -0.027 619 HG23 ILE 77 3HG2 ILE 77 -2.326 7.821 0.265 620 HD11 ILE 77 3HD1 ILE 77 -0.880 3.632 -2.132 621 HD12 ILE 77 1HD1 ILE 77 -1.761 3.676 -0.604 622 HD13 ILE 77 2HD1 ILE 77 -0.493 4.853 -0.920 623 H ASN 78 H ASN 78 -5.898 6.754 0.165 624 HA ASN 78 HA ASN 78 -5.283 8.758 2.066 625 HB2 ASN 78 2HB ASN 78 -7.093 9.041 0.433 626 HB3 ASN 78 1HB ASN 78 -7.980 7.714 1.166 627 HD21 ASN 78 1HD2 ASN 78 -6.842 10.962 1.598 628 HD22 ASN 78 2HD2 ASN 78 -7.964 11.409 2.837 629 H ASP 79 H ASP 79 -6.808 5.600 2.384 630 HA ASP 79 HA ASP 79 -7.245 5.917 5.199 631 HB2 ASP 79 2HB ASP 79 -7.398 3.546 3.352 632 HB3 ASP 79 1HB ASP 79 -7.500 3.343 5.097 633 H LEU 80 H LEU 80 -4.806 4.558 3.199 634 HA LEU 80 HA LEU 80 -3.089 3.270 4.963 635 HB2 LEU 80 2HB LEU 80 -2.932 3.327 2.496 636 HB3 LEU 80 1HB LEU 80 -2.648 5.005 2.638 637 HG LEU 80 HG LEU 80 -0.668 3.513 1.941 638 HD11 LEU 80 1HD1 LEU 80 -0.264 5.509 4.155 639 HD12 LEU 80 2HD1 LEU 80 -0.355 5.865 2.429 640 HD13 LEU 80 3HD1 LEU 80 0.986 4.909 3.064 641 HD21 LEU 80 3HD2 LEU 80 -0.975 1.897 3.644 642 HD22 LEU 80 1HD2 LEU 80 -0.675 3.127 4.870 643 HD23 LEU 80 2HD2 LEU 80 0.641 2.644 3.766 644 H CYS 81 H CYS 81 -2.957 6.661 3.913 645 HA CYS 81 HA CYS 81 -0.950 7.364 5.718 646 HB2 CYS 81 2HB CYS 81 -1.459 9.673 5.066 647 HB3 CYS 81 1HB CYS 81 -1.351 8.601 3.682 648 HG CYS 81 HG CYS 81 -4.515 8.706 4.313 649 H PHE 82 H PHE 82 -4.355 7.262 5.966 650 HA PHE 82 HA PHE 82 -4.728 8.984 8.193 651 HB2 PHE 82 2HB PHE 82 -6.467 8.440 6.531 652 HB3 PHE 82 1HB PHE 82 -6.465 6.785 7.098 653 HD1 PHE 82 HD2 PHE 82 -7.454 6.207 9.254 654 HD2 PHE 82 HD1 PHE 82 -7.547 10.164 7.746 655 HE1 PHE 82 HE2 PHE 82 -9.213 6.758 10.855 656 HE2 PHE 82 HE1 PHE 82 -9.326 10.734 9.344 657 HZ PHE 82 HZ PHE 82 -10.165 9.026 10.901 658 H GLU 83 H GLU 83 -4.776 5.416 7.869 659 HA GLU 83 HA GLU 83 -5.343 5.092 10.627 660 HB2 GLU 83 2HB GLU 83 -4.445 2.906 8.768 661 HB3 GLU 83 1HB GLU 83 -5.320 2.732 10.281 662 HG2 GLU 83 2HG GLU 83 -7.092 4.250 8.990 663 HG3 GLU 83 1HG GLU 83 -6.243 3.609 7.628 664 H LEU 84 H LEU 84 -2.426 5.310 8.853 665 HA LEU 84 HA LEU 84 -0.928 3.996 10.944 666 HB2 LEU 84 2HB LEU 84 0.047 5.369 8.443 667 HB3 LEU 84 1HB LEU 84 1.061 4.483 9.563 668 HG LEU 84 HG LEU 84 -1.133 3.323 7.837 669 HD11 LEU 84 1HD1 LEU 84 1.843 2.955 7.754 670 HD12 LEU 84 2HD1 LEU 84 0.886 3.897 6.612 671 HD13 LEU 84 3HD1 LEU 84 0.676 2.151 6.710 672 HD21 LEU 84 3HD2 LEU 84 -1.051 2.128 9.960 673 HD22 LEU 84 1HD2 LEU 84 0.700 1.944 9.806 674 HD23 LEU 84 2HD2 LEU 84 -0.380 1.137 8.670 675 H ASP 85 H ASP 85 -2.249 6.967 10.614 676 HA ASP 85 HA ASP 85 -2.243 8.792 11.940 677 HB2 ASP 85 2HB ASP 85 -1.865 7.494 13.889 678 HB3 ASP 85 1HB ASP 85 -0.166 7.267 13.503 679 H VAL 86 H VAL 86 0.799 7.827 10.719 680 HA VAL 86 HA VAL 86 2.442 9.979 11.062 681 HB VAL 86 HB VAL 86 2.230 8.333 8.520 682 HG11 VAL 86 1HG1 VAL 86 4.555 9.924 9.606 683 HG12 VAL 86 2HG1 VAL 86 3.578 10.350 8.207 684 HG13 VAL 86 3HG1 VAL 86 4.591 8.907 8.166 685 HG21 VAL 86 3HG2 VAL 86 3.993 6.931 9.525 686 HG22 VAL 86 1HG2 VAL 86 2.513 6.921 10.483 687 HG23 VAL 86 2HG2 VAL 86 3.893 7.890 10.997 688 HA PRO 87 HA PRO 87 0.338 13.244 8.772 689 HB2 PRO 87 2HB PRO 87 1.999 15.212 9.480 690 HB3 PRO 87 1HB PRO 87 0.894 14.491 10.662 691 HG2 PRO 87 2HG PRO 87 3.808 13.960 10.210 692 HG3 PRO 87 1HG PRO 87 2.957 14.229 11.741 693 HD2 PRO 87 2HD PRO 87 3.587 11.765 10.800 694 HD3 PRO 87 1HD PRO 87 2.161 12.073 11.818 695 H LEU 88 H LEU 88 1.974 11.482 7.258 696 HA LEU 88 HA LEU 88 4.189 12.727 6.055 697 HB2 LEU 88 2HB LEU 88 4.115 11.014 4.337 698 HB3 LEU 88 1HB LEU 88 3.886 10.307 5.913 699 HG LEU 88 HG LEU 88 1.522 10.862 4.109 700 HD11 LEU 88 1HD1 LEU 88 3.197 8.393 4.251 701 HD12 LEU 88 2HD1 LEU 88 3.118 9.493 2.873 702 HD13 LEU 88 3HD1 LEU 88 1.685 8.564 3.365 703 HD21 LEU 88 3HD2 LEU 88 0.560 8.981 5.352 704 HD22 LEU 88 1HD2 LEU 88 0.995 10.322 6.412 705 HD23 LEU 88 2HD2 LEU 88 2.026 8.896 6.324 706 H ASP 89 H ASP 89 0.811 12.513 5.036 707 HA ASP 89 HA ASP 89 -0.378 13.446 3.382 708 HB2 ASP 89 2HB ASP 89 1.386 15.783 4.129 709 HB3 ASP 89 1HB ASP 89 0.091 15.931 2.942 710 H MET 90 H MET 90 1.806 11.915 2.595 711 HA MET 90 HA MET 90 2.642 13.114 0.039 712 HB2 MET 90 2HB MET 90 3.414 10.427 1.210 713 HB3 MET 90 1HB MET 90 4.133 11.230 -0.159 714 HG2 MET 90 2HG MET 90 5.160 12.871 1.208 715 HG3 MET 90 1HG MET 90 4.262 12.338 2.629 716 HE1 MET 90 3HE MET 90 7.914 11.208 3.517 717 HE2 MET 90 1HE MET 90 6.491 12.091 4.071 718 HE3 MET 90 2HE MET 90 7.414 12.682 2.688 719 H GLU 91 H GLU 91 -0.024 11.973 1.003 720 HA GLU 91 HA GLU 91 -0.746 9.486 0.091 721 HB2 GLU 91 2HB GLU 91 -2.211 10.717 1.449 722 HB3 GLU 91 1HB GLU 91 -2.193 12.083 0.359 723 HG2 GLU 91 2HG GLU 91 -3.345 10.315 -1.246 724 HG3 GLU 91 1HG GLU 91 -3.849 9.650 0.316 725 H ILE 92 H ILE 92 -1.352 12.485 -1.891 726 HA ILE 92 HA ILE 92 -2.156 10.945 -4.149 727 HB ILE 92 HB ILE 92 -1.250 13.812 -3.896 728 HG12 ILE 92 2HG1 ILE 92 -3.353 13.336 -2.770 729 HG13 ILE 92 1HG1 ILE 92 -3.636 14.340 -4.181 730 HG21 ILE 92 1HG2 ILE 92 -2.383 12.422 -6.301 731 HG22 ILE 92 2HG2 ILE 92 -0.747 13.067 -6.062 732 HG23 ILE 92 3HG2 ILE 92 -2.128 14.174 -6.139 733 HD11 ILE 92 3HD1 ILE 92 -5.348 12.688 -3.992 734 HD12 ILE 92 1HD1 ILE 92 -4.142 11.401 -3.942 735 HD13 ILE 92 2HD1 ILE 92 -4.352 12.354 -5.413 736 HA PRO 93 HA PRO 93 2.517 11.591 -5.699 737 HB2 PRO 93 2HB PRO 93 3.607 11.153 -2.952 738 HB3 PRO 93 1HB PRO 93 4.322 12.014 -4.313 739 HG2 PRO 93 2HG PRO 93 3.170 13.418 -2.330 740 HG3 PRO 93 1HG PRO 93 3.021 13.909 -4.025 741 HD2 PRO 93 2HD PRO 93 0.968 12.702 -2.269 742 HD3 PRO 93 1HD PRO 93 0.796 13.797 -3.645 743 H LEU 94 H LEU 94 1.483 9.623 -2.864 744 HA LEU 94 HA LEU 94 2.524 7.162 -3.817 745 HB2 LEU 94 2HB LEU 94 0.245 7.841 -2.018 746 HB3 LEU 94 1HB LEU 94 0.364 6.209 -2.605 747 HG LEU 94 HG LEU 94 1.075 6.157 -0.498 748 HD11 LEU 94 1HD1 LEU 94 3.607 6.398 -2.075 749 HD12 LEU 94 2HD1 LEU 94 2.597 4.970 -1.834 750 HD13 LEU 94 3HD1 LEU 94 3.467 5.677 -0.468 751 HD21 LEU 94 3HD2 LEU 94 2.760 7.670 0.548 752 HD22 LEU 94 1HD2 LEU 94 1.204 8.392 0.133 753 HD23 LEU 94 2HD2 LEU 94 2.595 8.684 -0.891 754 H VAL 95 H VAL 95 -0.715 8.714 -4.066 755 HA VAL 95 HA VAL 95 -1.991 6.629 -5.296 756 HB VAL 95 HB VAL 95 -3.701 7.765 -5.329 757 HG11 VAL 95 1HG1 VAL 95 -2.510 9.262 -3.238 758 HG12 VAL 95 2HG1 VAL 95 -3.463 7.794 -3.258 759 HG13 VAL 95 3HG1 VAL 95 -4.226 9.334 -3.657 760 HG21 VAL 95 3HG2 VAL 95 -2.626 10.411 -6.179 761 HG22 VAL 95 1HG2 VAL 95 -4.320 10.062 -5.747 762 HG23 VAL 95 2HG2 VAL 95 -3.592 9.214 -7.090 763 H SER 96 H SER 96 -0.355 9.225 -6.559 764 HA SER 96 HA SER 96 -1.147 8.802 -9.324 765 HB2 SER 96 2HB SER 96 -0.880 10.994 -7.977 766 HB3 SER 96 1HB SER 96 0.814 10.842 -8.385 767 HG SER 96 HG SER 96 -1.379 11.238 -10.058 768 H ILE 97 H ILE 97 1.052 7.265 -7.487 769 HA ILE 97 HA ILE 97 3.527 7.610 -8.706 770 HB ILE 97 HB ILE 97 3.331 6.344 -6.592 771 HG12 ILE 97 2HG1 ILE 97 4.657 4.836 -8.861 772 HG13 ILE 97 1HG1 ILE 97 5.364 6.109 -7.871 773 HG21 ILE 97 1HG2 ILE 97 2.183 4.109 -8.276 774 HG22 ILE 97 2HG2 ILE 97 1.313 5.033 -7.054 775 HG23 ILE 97 3HG2 ILE 97 2.644 3.979 -6.580 776 HD11 ILE 97 3HD1 ILE 97 5.291 4.668 -5.934 777 HD12 ILE 97 1HD1 ILE 97 6.188 3.916 -7.253 778 HD13 ILE 97 2HD1 ILE 97 4.539 3.395 -6.894 779 H TRP 98 H TRP 98 0.886 5.464 -9.805 780 HA TRP 98 HA TRP 98 2.540 4.839 -12.091 781 HB2 TRP 98 2HB TRP 98 0.090 3.345 -11.115 782 HB3 TRP 98 1HB TRP 98 1.183 2.867 -12.398 783 HD1 TRP 98 HD1 TRP 98 0.367 1.945 -9.044 784 HE1 TRP 98 HE1 TRP 98 2.280 0.740 -7.844 785 HE3 TRP 98 HE3 TRP 98 4.200 3.183 -12.196 786 HZ2 TRP 98 HZ2 TRP 98 5.065 0.369 -8.175 787 HZ3 TRP 98 HZ3 TRP 98 6.452 2.365 -11.679 788 HH2 TRP 98 HH2 TRP 98 6.878 0.988 -9.710 789 H GLY 99 H GLY 99 1.210 4.631 -13.987 790 HA2 GLY 99 2HA GLY 99 -1.245 6.173 -14.064 791 HA3 GLY 99 1HA GLY 99 0.127 6.870 -14.922 792 HA PRO 100 HA PRO 100 -1.961 3.280 -17.373 793 HB2 PRO 100 2HB PRO 100 -4.198 4.379 -18.417 794 HB3 PRO 100 1HB PRO 100 -4.206 3.592 -16.835 795 HG2 PRO 100 2HG PRO 100 -4.030 6.508 -17.488 796 HG3 PRO 100 1HG PRO 100 -5.033 5.694 -16.273 797 HD2 PRO 100 2HD PRO 100 -2.718 6.940 -15.658 798 HD3 PRO 100 1HD PRO 100 -3.298 5.509 -14.783 799 H ARG 101 H ARG 101 0.033 5.096 -17.933 800 HA ARG 101 HA ARG 101 -0.100 5.290 -20.751 801 HB2 ARG 101 2HB ARG 101 -1.120 7.416 -20.079 802 HB3 ARG 101 1HB ARG 101 0.229 7.734 -18.998 803 HG2 ARG 101 2HG ARG 101 1.715 7.751 -20.830 804 HG3 ARG 101 1HG ARG 101 0.387 7.449 -21.962 805 HD2 ARG 101 2HD ARG 101 -0.690 9.553 -21.177 806 HD3 ARG 101 1HD ARG 101 0.725 9.864 -20.170 807 HE ARG 101 HE ARG 101 1.587 9.454 -22.763 808 HH11 ARG 101 1HH1 ARG 101 -0.253 11.862 -20.928 809 HH12 ARG 101 2HH1 ARG 101 0.093 13.146 -21.987 810 HH21 ARG 101 1HH2 ARG 101 2.032 11.222 -24.243 811 HH22 ARG 101 2HH2 ARG 101 1.398 12.780 -23.895 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 -6.543 12.416 3.827 2 H2 GLY 1 2H GLY 1 -7.726 13.072 4.859 3 H3 GLY 1 3H GLY 1 -6.116 12.894 5.397 4 HA2 GLY 1 1HA GLY 1 -6.520 15.163 4.844 5 HA3 GLY 1 2HA GLY 1 -5.411 14.437 3.686 6 HA PRO 2 HA PRO 2 -8.381 16.743 1.067 7 HB2 PRO 2 2HB PRO 2 -6.380 15.895 -0.956 8 HB3 PRO 2 1HB PRO 2 -7.072 17.494 -0.663 9 HG2 PRO 2 2HG PRO 2 -4.595 16.966 0.092 10 HG3 PRO 2 1HG PRO 2 -5.666 17.910 1.144 11 HD2 PRO 2 2HD PRO 2 -4.870 15.029 1.350 12 HD3 PRO 2 1HD PRO 2 -5.035 16.250 2.630 13 H LEU 3 H LEU 3 -10.139 15.898 0.174 14 HA LEU 3 HA LEU 3 -9.895 13.410 -1.335 15 HB2 LEU 3 2HB LEU 3 -12.155 14.175 0.518 16 HB3 LEU 3 1HB LEU 3 -12.211 12.834 -0.603 17 HG LEU 3 HG LEU 3 -10.360 13.085 1.765 18 HD11 LEU 3 1HD1 LEU 3 -12.742 11.324 1.243 19 HD12 LEU 3 2HD1 LEU 3 -12.641 12.642 2.416 20 HD13 LEU 3 3HD1 LEU 3 -11.658 11.191 2.624 21 HD21 LEU 3 3HD2 LEU 3 -9.734 10.760 1.244 22 HD22 LEU 3 1HD2 LEU 3 -9.267 11.873 -0.042 23 HD23 LEU 3 2HD2 LEU 3 -10.687 10.848 -0.236 24 H GLY 4 H GLY 4 -12.050 13.129 -2.677 25 HA2 GLY 4 2HA GLY 4 -13.429 13.959 -4.324 26 HA3 GLY 4 1HA GLY 4 -13.142 15.576 -3.693 27 H SER 5 H SER 5 -10.965 16.415 -4.070 28 HA SER 5 HA SER 5 -10.011 15.771 -6.764 29 HB2 SER 5 2HB SER 5 -9.767 18.325 -5.138 30 HB3 SER 5 1HB SER 5 -9.219 18.102 -6.796 31 HG SER 5 HG SER 5 -11.892 17.669 -6.033 32 H MET 6 H MET 6 -8.027 14.781 -6.765 33 HA MET 6 HA MET 6 -6.368 15.062 -4.341 34 HB2 MET 6 2HB MET 6 -6.624 12.653 -6.145 35 HB3 MET 6 1HB MET 6 -5.422 12.810 -4.886 36 HG2 MET 6 2HG MET 6 -7.101 11.423 -4.007 37 HG3 MET 6 1HG MET 6 -7.354 12.991 -3.260 38 HE1 MET 6 3HE MET 6 -10.947 11.349 -3.689 39 HE2 MET 6 1HE MET 6 -9.713 11.834 -2.529 40 HE3 MET 6 2HE MET 6 -9.461 10.415 -3.543 41 H ASP 7 H ASP 7 -6.376 16.392 -7.164 42 HA ASP 7 HA ASP 7 -3.738 15.538 -8.185 43 HB2 ASP 7 2HB ASP 7 -5.797 17.445 -9.296 44 HB3 ASP 7 1HB ASP 7 -4.215 17.188 -10.009 45 H ALA 8 H ALA 8 -4.085 17.031 -5.648 46 HA ALA 8 HA ALA 8 -2.501 19.403 -6.045 47 HB1 ALA 8 3HB ALA 8 -3.057 17.773 -3.554 48 HB2 ALA 8 1HB ALA 8 -3.917 19.223 -4.065 49 HB3 ALA 8 2HB ALA 8 -2.227 19.328 -3.566 50 H GLU 9 H GLU 9 -1.982 16.146 -5.987 51 HA GLU 9 HA GLU 9 0.535 15.796 -4.869 52 HB2 GLU 9 2HB GLU 9 0.605 13.849 -6.604 53 HB3 GLU 9 1HB GLU 9 -0.413 13.773 -5.181 54 HG2 GLU 9 2HG GLU 9 -1.817 13.023 -6.925 55 HG3 GLU 9 1HG GLU 9 -2.249 14.710 -6.708 56 H SER 10 H SER 10 -0.258 16.549 -8.159 57 HA SER 10 HA SER 10 2.171 16.611 -9.430 58 HB2 SER 10 2HB SER 10 -0.240 18.371 -9.538 59 HB3 SER 10 1HB SER 10 1.014 18.450 -10.791 60 HG SER 10 HG SER 10 -0.581 16.173 -10.054 61 H ILE 11 H ILE 11 0.714 18.876 -7.254 62 HA ILE 11 HA ILE 11 2.531 21.015 -7.655 63 HB ILE 11 HB ILE 11 0.264 20.501 -5.715 64 HG12 ILE 11 2HG1 ILE 11 -1.123 21.862 -7.000 65 HG13 ILE 11 1HG1 ILE 11 0.162 22.452 -8.092 66 HG21 ILE 11 1HG2 ILE 11 0.297 22.895 -5.190 67 HG22 ILE 11 2HG2 ILE 11 1.765 23.069 -6.151 68 HG23 ILE 11 3HG2 ILE 11 1.777 22.068 -4.701 69 HD11 ILE 11 3HD1 ILE 11 -1.522 21.024 -9.090 70 HD12 ILE 11 1HD1 ILE 11 -1.236 19.767 -7.882 71 HD13 ILE 11 2HD1 ILE 11 0.025 20.186 -9.042 72 H ARG 12 H ARG 12 2.090 18.318 -5.481 73 HA ARG 12 HA ARG 12 3.697 19.324 -3.351 74 HB2 ARG 12 2HB ARG 12 2.663 16.576 -3.932 75 HB3 ARG 12 1HB ARG 12 3.511 17.025 -2.467 76 HG2 ARG 12 2HG ARG 12 0.859 18.129 -3.392 77 HG3 ARG 12 1HG ARG 12 1.097 16.920 -2.131 78 HD2 ARG 12 2HD ARG 12 2.449 18.599 -0.879 79 HD3 ARG 12 1HD ARG 12 1.992 19.799 -2.090 80 HE ARG 12 HE ARG 12 -0.330 18.612 -1.179 81 HH11 ARG 12 1HH1 ARG 12 2.220 20.652 0.144 82 HH12 ARG 12 2HH1 ARG 12 1.236 21.337 1.355 83 HH21 ARG 12 1HH2 ARG 12 -1.659 19.509 0.521 84 HH22 ARG 12 2HH2 ARG 12 -0.994 20.650 1.600 85 H LEU 13 H LEU 13 4.208 16.468 -5.522 86 HA LEU 13 HA LEU 13 6.906 17.011 -6.026 87 HB2 LEU 13 2HB LEU 13 6.929 16.600 -3.484 88 HB3 LEU 13 1HB LEU 13 6.575 14.936 -3.842 89 HG LEU 13 HG LEU 13 8.962 15.359 -3.273 90 HD11 LEU 13 1HD1 LEU 13 10.001 14.118 -5.073 91 HD12 LEU 13 2HD1 LEU 13 8.571 14.375 -6.076 92 HD13 LEU 13 3HD1 LEU 13 8.452 13.421 -4.599 93 HD21 LEU 13 3HD2 LEU 13 10.424 16.487 -4.840 94 HD22 LEU 13 1HD2 LEU 13 9.179 17.582 -4.240 95 HD23 LEU 13 2HD2 LEU 13 9.048 16.888 -5.860 96 H ASN 14 H ASN 14 5.464 13.921 -4.957 97 HA ASN 14 HA ASN 14 4.991 11.944 -5.969 98 HB2 ASN 14 2HB ASN 14 3.435 13.148 -7.415 99 HB3 ASN 14 1HB ASN 14 4.748 13.631 -8.480 100 HD21 ASN 14 1HD2 ASN 14 3.939 12.687 -10.278 101 HD22 ASN 14 2HD2 ASN 14 3.793 10.988 -10.508 102 H ASN 15 H ASN 15 6.617 10.484 -5.969 103 HA ASN 15 HA ASN 15 8.430 10.173 -8.101 104 HB2 ASN 15 2HB ASN 15 9.499 12.194 -7.192 105 HB3 ASN 15 1HB ASN 15 9.561 11.470 -5.596 106 HD21 ASN 15 1HD2 ASN 15 10.936 11.445 -8.814 107 HD22 ASN 15 2HD2 ASN 15 12.370 10.628 -8.380 108 H GLU 16 H GLU 16 10.008 8.438 -7.649 109 HA GLU 16 HA GLU 16 9.023 6.178 -6.425 110 HB2 GLU 16 2HB GLU 16 10.808 6.312 -8.178 111 HB3 GLU 16 1HB GLU 16 11.938 6.797 -6.926 112 HG2 GLU 16 2HG GLU 16 11.552 4.646 -5.785 113 HG3 GLU 16 1HG GLU 16 10.473 4.172 -7.090 114 H ASN 17 H ASN 17 10.930 8.754 -5.011 115 HA ASN 17 HA ASN 17 11.896 7.566 -2.699 116 HB2 ASN 17 2HB ASN 17 11.063 10.360 -3.312 117 HB3 ASN 17 1HB ASN 17 11.534 9.909 -1.673 118 HD21 ASN 17 1HD2 ASN 17 13.363 11.101 -1.679 119 HD22 ASN 17 2HD2 ASN 17 14.737 10.629 -2.618 120 H LEU 18 H LEU 18 8.637 8.569 -3.444 121 HA LEU 18 HA LEU 18 7.647 8.435 -0.773 122 HB2 LEU 18 2HB LEU 18 6.274 8.374 -3.457 123 HB3 LEU 18 1HB LEU 18 5.375 8.185 -1.969 124 HG LEU 18 HG LEU 18 5.077 10.407 -2.699 125 HD11 LEU 18 1HD1 LEU 18 7.158 10.541 -0.572 126 HD12 LEU 18 2HD1 LEU 18 5.479 10.084 -0.356 127 HD13 LEU 18 3HD1 LEU 18 5.870 11.719 -0.915 128 HD21 LEU 18 3HD2 LEU 18 6.844 11.969 -3.140 129 HD22 LEU 18 1HD2 LEU 18 6.926 10.595 -4.245 130 HD23 LEU 18 2HD2 LEU 18 8.057 10.700 -2.883 131 H TRP 19 H TRP 19 8.111 6.192 -3.363 132 HA TRP 19 HA TRP 19 6.490 4.077 -2.424 133 HB2 TRP 19 2HB TRP 19 7.289 4.273 -4.773 134 HB3 TRP 19 1HB TRP 19 8.926 3.957 -4.218 135 HD1 TRP 19 HD1 TRP 19 9.644 1.502 -4.316 136 HE1 TRP 19 HE1 TRP 19 8.413 -0.741 -4.550 137 HE3 TRP 19 HE3 TRP 19 4.829 3.171 -4.041 138 HZ2 TRP 19 HZ2 TRP 19 5.787 -1.676 -4.593 139 HZ3 TRP 19 HZ3 TRP 19 3.012 1.525 -4.183 140 HH2 TRP 19 HH2 TRP 19 3.487 -0.848 -4.459 141 H ALA 20 H ALA 20 9.899 4.868 -2.066 142 HA ALA 20 HA ALA 20 10.658 2.588 -0.629 143 HB1 ALA 20 3HB ALA 20 12.269 4.146 -1.603 144 HB2 ALA 20 1HB ALA 20 12.579 3.864 0.110 145 HB3 ALA 20 2HB ALA 20 11.811 5.371 -0.414 146 H TRP 21 H TRP 21 9.400 5.698 0.465 147 HA TRP 21 HA TRP 21 9.485 5.235 3.225 148 HB2 TRP 21 2HB TRP 21 9.044 7.468 2.532 149 HB3 TRP 21 1HB TRP 21 7.734 6.972 1.482 150 HD1 TRP 21 HD1 TRP 21 5.447 7.554 2.389 151 HE1 TRP 21 HE1 TRP 21 4.380 7.901 4.697 152 HE3 TRP 21 HE3 TRP 21 9.483 6.468 5.337 153 HZ2 TRP 21 HZ2 TRP 21 5.121 7.714 7.391 154 HZ3 TRP 21 HZ3 TRP 21 9.197 6.571 7.782 155 HH2 TRP 21 HH2 TRP 21 7.070 7.179 8.778 156 H LEU 22 H LEU 22 6.887 4.677 0.897 157 HA LEU 22 HA LEU 22 4.953 3.626 2.606 158 HB2 LEU 22 2HB LEU 22 4.678 4.361 0.207 159 HB3 LEU 22 1HB LEU 22 5.488 2.905 -0.290 160 HG LEU 22 HG LEU 22 3.025 2.886 -0.633 161 HD11 LEU 22 1HD1 LEU 22 4.155 0.771 -0.508 162 HD12 LEU 22 2HD1 LEU 22 2.566 0.661 0.254 163 HD13 LEU 22 3HD1 LEU 22 4.016 0.770 1.249 164 HD21 LEU 22 3HD2 LEU 22 1.532 2.593 1.280 165 HD22 LEU 22 1HD2 LEU 22 2.343 4.159 1.314 166 HD23 LEU 22 2HD2 LEU 22 2.885 2.856 2.378 167 H VAL 23 H VAL 23 7.357 1.937 0.639 168 HA VAL 23 HA VAL 23 6.662 -0.639 1.420 169 HB VAL 23 HB VAL 23 9.195 0.481 0.209 170 HG11 VAL 23 1HG1 VAL 23 9.920 -1.800 -0.249 171 HG12 VAL 23 2HG1 VAL 23 8.579 -2.437 0.719 172 HG13 VAL 23 3HG1 VAL 23 9.858 -1.479 1.483 173 HG21 VAL 23 3HG2 VAL 23 8.394 -0.710 -1.775 174 HG22 VAL 23 1HG2 VAL 23 7.217 0.465 -1.190 175 HG23 VAL 23 2HG2 VAL 23 6.980 -1.250 -0.868 176 H ARG 24 H ARG 24 9.127 1.517 2.781 177 HA ARG 24 HA ARG 24 10.142 -0.540 4.478 178 HB2 ARG 24 2HB ARG 24 10.622 2.427 4.499 179 HB3 ARG 24 1HB ARG 24 11.482 1.272 5.513 180 HG2 ARG 24 2HG ARG 24 12.339 0.154 3.509 181 HG3 ARG 24 1HG ARG 24 11.461 1.305 2.506 182 HD2 ARG 24 2HD ARG 24 13.664 1.964 4.450 183 HD3 ARG 24 1HD ARG 24 13.806 1.885 2.695 184 HE ARG 24 HE ARG 24 11.927 3.756 3.920 185 HH11 ARG 24 1HH1 ARG 24 14.823 3.204 1.958 186 HH12 ARG 24 2HH1 ARG 24 15.039 4.848 1.567 187 HH21 ARG 24 1HH2 ARG 24 12.226 6.046 3.357 188 HH22 ARG 24 2HH2 ARG 24 13.554 6.463 2.379 189 H LEU 25 H LEU 25 7.857 2.072 4.918 190 HA LEU 25 HA LEU 25 7.675 1.691 7.756 191 HB2 LEU 25 2HB LEU 25 7.153 3.801 6.400 192 HB3 LEU 25 1HB LEU 25 5.692 3.011 5.885 193 HG LEU 25 HG LEU 25 5.311 4.699 7.673 194 HD11 LEU 25 1HD1 LEU 25 4.665 1.917 8.524 195 HD12 LEU 25 2HD1 LEU 25 3.731 2.941 7.431 196 HD13 LEU 25 3HD1 LEU 25 3.918 3.401 9.129 197 HD21 LEU 25 3HD2 LEU 25 7.406 4.444 8.882 198 HD22 LEU 25 1HD2 LEU 25 6.917 2.834 9.410 199 HD23 LEU 25 2HD2 LEU 25 6.024 4.251 9.959 200 H LEU 26 H LEU 26 5.821 0.578 4.953 201 HA LEU 26 HA LEU 26 3.934 -0.862 6.490 202 HB2 LEU 26 2HB LEU 26 4.674 -1.020 3.633 203 HB3 LEU 26 1HB LEU 26 3.324 -1.858 4.392 204 HG LEU 26 HG LEU 26 3.619 1.019 3.736 205 HD11 LEU 26 1HD1 LEU 26 1.551 -0.887 4.163 206 HD12 LEU 26 2HD1 LEU 26 2.268 -0.544 2.548 207 HD13 LEU 26 3HD1 LEU 26 1.231 0.677 3.397 208 HD21 LEU 26 3HD2 LEU 26 1.997 1.715 5.417 209 HD22 LEU 26 1HD2 LEU 26 3.442 1.098 6.200 210 HD23 LEU 26 2HD2 LEU 26 1.985 0.102 6.120 211 H SER 27 H SER 27 7.111 -1.586 5.366 212 HA SER 27 HA SER 27 7.034 -4.359 5.600 213 HB2 SER 27 2HB SER 27 8.878 -2.961 4.575 214 HB3 SER 27 1HB SER 27 9.335 -2.452 6.191 215 HG SER 27 HG SER 27 9.607 -4.929 4.927 216 H LYS 28 H LYS 28 6.882 -1.777 7.926 217 HA LYS 28 HA LYS 28 7.526 -3.539 10.096 218 HB2 LYS 28 2HB LYS 28 6.623 -0.710 10.407 219 HB3 LYS 28 1HB LYS 28 7.568 -1.687 11.523 220 HG2 LYS 28 2HG LYS 28 9.208 -1.744 9.425 221 HG3 LYS 28 1HG LYS 28 8.284 -0.360 9.055 222 HD2 LYS 28 2HD LYS 28 9.768 -0.709 11.651 223 HD3 LYS 28 1HD LYS 28 10.354 0.266 10.318 224 HE2 LYS 28 2HE LYS 28 9.447 1.862 11.773 225 HE3 LYS 28 1HE LYS 28 8.137 1.594 10.633 226 HZ1 LYS 28 3HZ LYS 28 7.393 1.652 12.953 227 HZ2 LYS 28 1HZ LYS 28 8.331 0.322 13.328 228 HZ3 LYS 28 2HZ LYS 28 7.028 0.177 12.270 229 H ASN 29 H ASN 29 4.871 -2.954 8.234 230 HA ASN 29 HA ASN 29 2.945 -3.446 10.360 231 HB2 ASN 29 2HB ASN 29 2.727 -1.369 8.211 232 HB3 ASN 29 1HB ASN 29 1.392 -1.857 9.094 233 HD21 ASN 29 1HD2 ASN 29 4.224 0.031 9.203 234 HD22 ASN 29 2HD2 ASN 29 3.911 0.757 10.752 235 HA PRO 30 HA PRO 30 2.406 -5.850 6.263 236 HB2 PRO 30 2HB PRO 30 2.959 -8.302 7.795 237 HB3 PRO 30 1HB PRO 30 3.725 -7.745 6.304 238 HG2 PRO 30 2HG PRO 30 5.064 -7.794 8.642 239 HG3 PRO 30 1HG PRO 30 5.339 -6.528 7.431 240 HD2 PRO 30 2HD PRO 30 3.656 -6.423 9.916 241 HD3 PRO 30 1HD PRO 30 4.821 -5.230 9.323 242 H GLU 31 H GLU 31 1.617 -6.143 9.516 243 HA GLU 31 HA GLU 31 -0.632 -7.854 9.395 244 HB2 GLU 31 2HB GLU 31 0.130 -5.813 11.466 245 HB3 GLU 31 1HB GLU 31 -1.010 -7.134 11.667 246 HG2 GLU 31 2HG GLU 31 0.839 -8.738 11.297 247 HG3 GLU 31 1HG GLU 31 1.953 -7.375 11.185 248 H TRP 32 H TRP 32 -0.149 -4.279 9.267 249 HA TRP 32 HA TRP 32 -2.957 -3.822 9.279 250 HB2 TRP 32 2HB TRP 32 -1.474 -2.036 10.045 251 HB3 TRP 32 1HB TRP 32 -0.638 -2.028 8.491 252 HD1 TRP 32 HD1 TRP 32 -3.856 -0.832 10.147 253 HE1 TRP 32 HE1 TRP 32 -5.079 0.737 8.549 254 HE3 TRP 32 HE3 TRP 32 -0.919 -1.443 6.059 255 HZ2 TRP 32 HZ2 TRP 32 -4.804 1.663 5.853 256 HZ3 TRP 32 HZ3 TRP 32 -1.409 -0.267 4.045 257 HH2 TRP 32 HH2 TRP 32 -3.340 1.306 3.907 258 H LEU 33 H LEU 33 -0.433 -3.958 6.865 259 HA LEU 33 HA LEU 33 -1.850 -3.028 4.661 260 HB2 LEU 33 2HB LEU 33 0.644 -3.350 5.030 261 HB3 LEU 33 1HB LEU 33 0.398 -5.011 4.637 262 HG LEU 33 HG LEU 33 1.359 -3.585 2.787 263 HD11 LEU 33 1HD1 LEU 33 -1.236 -4.918 2.236 264 HD12 LEU 33 2HD1 LEU 33 0.356 -5.714 2.250 265 HD13 LEU 33 3HD1 LEU 33 -0.039 -4.484 1.027 266 HD21 LEU 33 3HD2 LEU 33 -1.439 -2.537 2.642 267 HD22 LEU 33 1HD2 LEU 33 -0.140 -2.237 1.496 268 HD23 LEU 33 2HD2 LEU 33 -0.015 -1.621 3.146 269 H SER 34 H SER 34 -1.396 -6.334 5.758 270 HA SER 34 HA SER 34 -2.748 -7.637 3.711 271 HB2 SER 34 2HB SER 34 -3.112 -9.425 5.520 272 HB3 SER 34 1HB SER 34 -1.448 -8.954 5.160 273 HG SER 34 HG SER 34 -1.260 -8.075 7.018 274 H ALA 35 H ALA 35 -4.033 -6.413 6.733 275 HA ALA 35 HA ALA 35 -6.691 -7.166 6.548 276 HB1 ALA 35 3HB ALA 35 -5.598 -4.631 7.750 277 HB2 ALA 35 1HB ALA 35 -5.720 -6.192 8.557 278 HB3 ALA 35 2HB ALA 35 -7.185 -5.329 8.081 279 H LYS 36 H LYS 36 -5.170 -4.215 5.284 280 HA LYS 36 HA LYS 36 -7.593 -3.288 4.074 281 HB2 LYS 36 2HB LYS 36 -4.734 -2.379 3.832 282 HB3 LYS 36 1HB LYS 36 -6.005 -1.713 2.807 283 HG2 LYS 36 2HG LYS 36 -5.941 -1.784 5.771 284 HG3 LYS 36 1HG LYS 36 -5.640 -0.395 4.726 285 HD2 LYS 36 2HD LYS 36 -7.973 -0.584 3.856 286 HD3 LYS 36 1HD LYS 36 -8.272 -1.899 4.999 287 HE2 LYS 36 2HE LYS 36 -7.665 -0.466 6.824 288 HE3 LYS 36 1HE LYS 36 -7.302 0.720 5.562 289 HZ1 LYS 36 3HZ LYS 36 -9.482 0.879 6.852 290 HZ2 LYS 36 1HZ LYS 36 -10.052 -0.350 5.880 291 HZ3 LYS 36 2HZ LYS 36 -9.573 1.158 5.214 292 H LEU 37 H LEU 37 -4.992 -5.355 2.996 293 HA LEU 37 HA LEU 37 -5.696 -5.480 0.284 294 HB2 LEU 37 2HB LEU 37 -4.653 -7.724 1.996 295 HB3 LEU 37 1HB LEU 37 -4.709 -7.728 0.253 296 HG LEU 37 HG LEU 37 -2.986 -6.008 2.015 297 HD11 LEU 37 1HD1 LEU 37 -2.278 -8.192 0.065 298 HD12 LEU 37 2HD1 LEU 37 -2.377 -8.382 1.807 299 HD13 LEU 37 3HD1 LEU 37 -1.167 -7.308 1.118 300 HD21 LEU 37 3HD2 LEU 37 -1.955 -5.201 -0.063 301 HD22 LEU 37 1HD2 LEU 37 -3.657 -4.753 0.015 302 HD23 LEU 37 2HD2 LEU 37 -3.142 -6.099 -1.003 303 H ARG 38 H ARG 38 -6.971 -7.083 3.100 304 HA ARG 38 HA ARG 38 -8.564 -9.005 1.808 305 HB2 ARG 38 2HB ARG 38 -9.315 -7.660 4.385 306 HB3 ARG 38 1HB ARG 38 -9.743 -9.276 3.855 307 HG2 ARG 38 2HG ARG 38 -7.137 -9.742 3.989 308 HG3 ARG 38 1HG ARG 38 -7.146 -8.217 4.764 309 HD2 ARG 38 2HD ARG 38 -8.887 -10.419 5.674 310 HD3 ARG 38 1HD ARG 38 -7.270 -10.128 6.330 311 HE ARG 38 HE ARG 38 -9.306 -8.011 6.378 312 HH11 ARG 38 1HH1 ARG 38 -7.228 -10.202 8.215 313 HH12 ARG 38 2HH1 ARG 38 -7.433 -9.400 9.690 314 HH21 ARG 38 1HH2 ARG 38 -9.617 -6.913 8.371 315 HH22 ARG 38 2HH2 ARG 38 -8.833 -7.451 9.791 316 H SER 39 H SER 39 -9.107 -5.599 2.654 317 HA SER 39 HA SER 39 -11.769 -5.394 2.128 318 HB2 SER 39 2HB SER 39 -9.418 -3.682 2.243 319 HB3 SER 39 1HB SER 39 -11.020 -3.009 2.338 320 HG SER 39 HG SER 39 -11.071 -4.835 4.081 321 H PHE 40 H PHE 40 -8.806 -4.696 0.277 322 HA PHE 40 HA PHE 40 -10.301 -3.584 -1.953 323 HB2 PHE 40 2HB PHE 40 -7.404 -3.867 -1.345 324 HB3 PHE 40 1HB PHE 40 -8.008 -3.184 -2.861 325 HD1 PHE 40 HD2 PHE 40 -10.010 -1.515 -2.392 326 HD2 PHE 40 HD1 PHE 40 -6.858 -2.305 0.282 327 HE1 PHE 40 HE2 PHE 40 -10.456 0.656 -1.252 328 HE2 PHE 40 HE1 PHE 40 -7.286 -0.165 1.456 329 HZ PHE 40 HZ PHE 40 -9.076 1.316 0.673 330 H LEU 41 H LEU 41 -8.185 -6.457 -1.468 331 HA LEU 41 HA LEU 41 -8.664 -7.198 -4.210 332 HB2 LEU 41 2HB LEU 41 -6.935 -8.287 -2.046 333 HB3 LEU 41 1HB LEU 41 -6.933 -8.870 -3.704 334 HG LEU 41 HG LEU 41 -5.093 -7.604 -3.552 335 HD11 LEU 41 1HD1 LEU 41 -7.207 -5.754 -4.524 336 HD12 LEU 41 2HD1 LEU 41 -6.180 -6.831 -5.490 337 HD13 LEU 41 3HD1 LEU 41 -5.499 -5.413 -4.678 338 HD21 LEU 41 3HD2 LEU 41 -4.874 -5.398 -2.513 339 HD22 LEU 41 1HD2 LEU 41 -5.307 -6.695 -1.398 340 HD23 LEU 41 2HD2 LEU 41 -6.540 -5.563 -1.949 341 HA PRO 42 HA PRO 42 -11.873 -9.895 -2.490 342 HB2 PRO 42 2HB PRO 42 -12.148 -10.707 -5.313 343 HB3 PRO 42 1HB PRO 42 -13.368 -10.035 -4.226 344 HG2 PRO 42 2HG PRO 42 -12.350 -8.593 -6.246 345 HG3 PRO 42 1HG PRO 42 -12.772 -7.850 -4.693 346 HD2 PRO 42 2HD PRO 42 -10.079 -8.639 -5.744 347 HD3 PRO 42 1HD PRO 42 -10.559 -7.183 -4.854 348 H THR 43 H THR 43 -9.491 -10.738 -4.904 349 HA THR 43 HA THR 43 -9.542 -13.497 -3.997 350 HB THR 43 HB THR 43 -10.006 -13.265 -6.377 351 HG1 THR 43 HG1 THR 43 -7.523 -14.402 -5.712 352 HG21 THR 43 3HG2 THR 43 -8.906 -11.177 -6.820 353 HG22 THR 43 1HG2 THR 43 -8.305 -12.401 -7.946 354 HG23 THR 43 2HG2 THR 43 -7.324 -11.919 -6.551 355 H MET 44 H MET 44 -8.242 -11.372 -2.531 356 HA MET 44 HA MET 44 -5.639 -11.018 -2.722 357 HB2 MET 44 2HB MET 44 -5.543 -10.934 -0.266 358 HB3 MET 44 1HB MET 44 -6.631 -9.862 -1.108 359 HG2 MET 44 2HG MET 44 -7.623 -10.433 0.545 360 HG3 MET 44 1HG MET 44 -8.434 -11.533 -0.571 361 HE1 MET 44 3HE MET 44 -8.635 -13.903 2.519 362 HE2 MET 44 1HE MET 44 -9.452 -13.268 1.093 363 HE3 MET 44 2HE MET 44 -9.019 -12.184 2.416 364 H ASP 45 H ASP 45 -3.913 -11.991 -2.474 365 HA ASP 45 HA ASP 45 -3.823 -14.679 -1.275 366 HB2 ASP 45 2HB ASP 45 -2.324 -13.834 -3.770 367 HB3 ASP 45 1HB ASP 45 -1.965 -15.300 -2.871 368 H LEU 46 H LEU 46 -3.470 -13.032 0.385 369 HA LEU 46 HA LEU 46 -0.793 -11.967 0.546 370 HB2 LEU 46 2HB LEU 46 -1.580 -10.990 2.701 371 HB3 LEU 46 1HB LEU 46 -2.525 -10.517 1.309 372 HG LEU 46 HG LEU 46 -4.138 -12.410 2.077 373 HD11 LEU 46 1HD1 LEU 46 -2.723 -11.883 4.670 374 HD12 LEU 46 2HD1 LEU 46 -2.755 -13.402 3.774 375 HD13 LEU 46 3HD1 LEU 46 -4.241 -12.762 4.478 376 HD21 LEU 46 3HD2 LEU 46 -3.906 -9.806 3.560 377 HD22 LEU 46 1HD2 LEU 46 -5.332 -10.843 3.529 378 HD23 LEU 46 2HD2 LEU 46 -4.756 -10.094 2.041 379 H ASP 47 H ASP 47 -2.468 -14.732 1.395 380 HA ASP 47 HA ASP 47 -0.888 -15.581 3.602 381 HB2 ASP 47 2HB ASP 47 -3.101 -16.531 3.245 382 HB3 ASP 47 1HB ASP 47 -2.604 -17.179 1.690 383 H CYS 48 H CYS 48 -0.425 -15.423 0.384 384 HA CYS 48 HA CYS 48 1.647 -17.418 0.180 385 HB2 CYS 48 2HB CYS 48 0.904 -15.201 -1.735 386 HB3 CYS 48 1HB CYS 48 1.954 -16.568 -2.100 387 HG CYS 48 HG CYS 48 -0.015 -18.472 -1.934 388 H SER 49 H SER 49 3.023 -16.757 1.831 389 HA SER 49 HA SER 49 4.461 -14.262 1.330 390 HB2 SER 49 2HB SER 49 3.995 -15.593 4.001 391 HB3 SER 49 1HB SER 49 4.840 -14.070 3.723 392 HG SER 49 HG SER 49 2.395 -14.024 2.568 393 H TYR 50 H TYR 50 5.632 -15.474 -0.053 394 HA TYR 50 HA TYR 50 7.288 -17.641 0.542 395 HB2 TYR 50 2HB TYR 50 8.651 -16.268 -1.409 396 HB3 TYR 50 1HB TYR 50 7.356 -17.423 -1.705 397 HD1 TYR 50 HD1 TYR 50 8.125 -13.793 -1.436 398 HD2 TYR 50 HD2 TYR 50 5.238 -16.719 -2.510 399 HE1 TYR 50 HE1 TYR 50 6.727 -12.044 -2.465 400 HE2 TYR 50 HE2 TYR 50 3.845 -14.987 -3.524 401 HH TYR 50 HH TYR 50 3.520 -12.596 -3.259 402 H GLU 51 H GLU 51 8.209 -14.421 0.232 403 HA GLU 51 HA GLU 51 10.544 -14.855 1.845 404 HB2 GLU 51 2HB GLU 51 9.597 -12.655 0.044 405 HB3 GLU 51 1HB GLU 51 11.109 -12.666 0.901 406 HG2 GLU 51 2HG GLU 51 10.275 -14.681 -1.183 407 HG3 GLU 51 1HG GLU 51 11.371 -13.332 -1.462 408 HA PRO 52 HA PRO 52 8.948 -12.446 5.343 409 HB2 PRO 52 2HB PRO 52 11.148 -10.804 5.754 410 HB3 PRO 52 1HB PRO 52 11.015 -12.463 6.353 411 HG2 PRO 52 2HG PRO 52 12.385 -11.385 3.934 412 HG3 PRO 52 1HG PRO 52 12.931 -12.631 5.066 413 HD2 PRO 52 2HD PRO 52 11.961 -13.263 2.685 414 HD3 PRO 52 1HD PRO 52 11.599 -14.253 4.109 415 H SER 53 H SER 53 9.863 -9.712 5.870 416 HA SER 53 HA SER 53 7.810 -8.317 4.456 417 HB2 SER 53 2HB SER 53 9.902 -7.289 6.384 418 HB3 SER 53 1HB SER 53 8.379 -6.505 5.968 419 HG SER 53 HG SER 53 7.806 -8.974 6.753 420 H ASN 54 H ASN 54 9.787 -9.166 2.635 421 HA ASN 54 HA ASN 54 11.779 -7.326 1.898 422 HB2 ASN 54 2HB ASN 54 10.370 -9.622 0.686 423 HB3 ASN 54 1HB ASN 54 11.490 -8.709 -0.289 424 HD21 ASN 54 1HD2 ASN 54 12.906 -10.473 -0.446 425 HD22 ASN 54 2HD2 ASN 54 13.805 -11.079 0.892 426 HA PRO 55 HA PRO 55 9.797 -4.077 -0.257 427 HB2 PRO 55 2HB PRO 55 11.420 -4.041 -2.543 428 HB3 PRO 55 1HB PRO 55 11.709 -3.147 -1.048 429 HG2 PRO 55 2HG PRO 55 12.871 -5.724 -1.976 430 HG3 PRO 55 1HG PRO 55 13.605 -4.431 -1.013 431 HD2 PRO 55 2HD PRO 55 12.817 -6.730 0.097 432 HD3 PRO 55 1HD PRO 55 12.661 -5.183 0.956 433 H GLU 56 H GLU 56 10.701 -6.794 -2.512 434 HA GLU 56 HA GLU 56 8.691 -6.076 -4.276 435 HB2 GLU 56 2HB GLU 56 10.383 -8.466 -4.005 436 HB3 GLU 56 1HB GLU 56 9.164 -8.296 -5.268 437 HG2 GLU 56 2HG GLU 56 11.424 -6.411 -4.733 438 HG3 GLU 56 1HG GLU 56 11.225 -7.578 -6.037 439 H VAL 57 H VAL 57 8.792 -8.053 -1.493 440 HA VAL 57 HA VAL 57 6.512 -9.599 -2.023 441 HB VAL 57 HB VAL 57 7.740 -8.779 0.629 442 HG11 VAL 57 1HG1 VAL 57 5.671 -10.919 0.085 443 HG12 VAL 57 2HG1 VAL 57 5.370 -9.397 0.924 444 HG13 VAL 57 3HG1 VAL 57 6.462 -10.601 1.634 445 HG21 VAL 57 3HG2 VAL 57 8.678 -10.960 0.653 446 HG22 VAL 57 1HG2 VAL 57 9.139 -10.149 -0.843 447 HG23 VAL 57 2HG2 VAL 57 7.870 -11.385 -0.856 448 H ILE 58 H ILE 58 7.091 -6.574 -0.392 449 HA ILE 58 HA ILE 58 4.415 -5.948 0.226 450 HB ILE 58 HB ILE 58 6.759 -4.098 -0.273 451 HG12 ILE 58 2HG1 ILE 58 7.218 -5.660 1.557 452 HG13 ILE 58 1HG1 ILE 58 6.968 -4.021 2.150 453 HG21 ILE 58 1HG2 ILE 58 5.498 -2.438 1.044 454 HG22 ILE 58 2HG2 ILE 58 4.123 -3.559 1.066 455 HG23 ILE 58 3HG2 ILE 58 4.690 -2.895 -0.461 456 HD11 ILE 58 3HD1 ILE 58 4.956 -6.257 2.290 457 HD12 ILE 58 1HD1 ILE 58 4.729 -4.608 2.888 458 HD13 ILE 58 2HD1 ILE 58 5.949 -5.647 3.617 459 H HIS 59 H HIS 59 6.542 -5.114 -2.470 460 HA HIS 59 HA HIS 59 4.919 -3.469 -4.012 461 HB2 HIS 59 2HB HIS 59 7.344 -3.915 -4.421 462 HB3 HIS 59 1HB HIS 59 6.908 -5.510 -5.004 463 HD1 HIS 59 HD1 HIS 59 8.034 -4.983 -7.266 464 HD2 HIS 59 HD2 HIS 59 4.842 -2.482 -6.359 465 HE1 HIS 59 HE1 HIS 59 7.557 -3.696 -9.368 466 HE2 HIS 59 HE2 HIS 59 5.463 -2.400 -8.850 467 H ARG 60 H ARG 60 5.100 -6.983 -4.007 468 HA ARG 60 HA ARG 60 3.350 -7.701 -6.005 469 HB2 ARG 60 2HB ARG 60 4.612 -9.287 -4.724 470 HB3 ARG 60 1HB ARG 60 3.768 -8.833 -3.250 471 HG2 ARG 60 2HG ARG 60 2.743 -10.740 -3.798 472 HG3 ARG 60 1HG ARG 60 1.670 -9.548 -4.485 473 HD2 ARG 60 2HD ARG 60 1.944 -11.204 -6.212 474 HD3 ARG 60 1HD ARG 60 2.829 -9.748 -6.673 475 HE ARG 60 HE ARG 60 4.294 -11.826 -5.299 476 HH11 ARG 60 1HH1 ARG 60 3.547 -10.256 -8.405 477 HH12 ARG 60 2HH1 ARG 60 4.875 -10.962 -9.216 478 HH21 ARG 60 1HH2 ARG 60 6.067 -12.820 -6.465 479 HH22 ARG 60 2HH2 ARG 60 6.312 -12.475 -8.106 480 H GLN 61 H GLN 61 2.659 -7.185 -2.617 481 HA GLN 61 HA GLN 61 -0.119 -7.551 -2.656 482 HB2 GLN 61 2HB GLN 61 1.518 -5.950 -0.695 483 HB3 GLN 61 1HB GLN 61 -0.043 -6.718 -0.397 484 HG2 GLN 61 2HG GLN 61 1.005 -8.880 -0.924 485 HG3 GLN 61 1HG GLN 61 2.542 -8.118 -1.042 486 HE21 GLN 61 1HE2 GLN 61 3.440 -9.269 0.598 487 HE22 GLN 61 2HE2 GLN 61 3.039 -9.055 2.273 488 H LEU 62 H LEU 62 1.846 -4.820 -3.011 489 HA LEU 62 HA LEU 62 -0.315 -2.909 -3.061 490 HB2 LEU 62 2HB LEU 62 2.619 -2.691 -3.539 491 HB3 LEU 62 1HB LEU 62 1.569 -1.404 -4.089 492 HG LEU 62 HG LEU 62 2.650 -0.935 -1.890 493 HD11 LEU 62 1HD1 LEU 62 -0.329 -1.195 -1.742 494 HD12 LEU 62 2HD1 LEU 62 0.548 0.136 -2.497 495 HD13 LEU 62 3HD1 LEU 62 0.676 -0.137 -0.758 496 HD21 LEU 62 3HD2 LEU 62 1.877 -2.061 0.118 497 HD22 LEU 62 1HD2 LEU 62 2.643 -3.214 -0.975 498 HD23 LEU 62 2HD2 LEU 62 0.884 -3.149 -0.853 499 H ASN 63 H ASN 63 1.549 -4.592 -5.593 500 HA ASN 63 HA ASN 63 0.706 -3.330 -7.880 501 HB2 ASN 63 2HB ASN 63 2.375 -5.253 -7.471 502 HB3 ASN 63 1HB ASN 63 0.960 -6.288 -7.466 503 HD21 ASN 63 1HD2 ASN 63 -0.378 -4.708 -9.598 504 HD22 ASN 63 2HD2 ASN 63 0.473 -5.138 -11.020 505 H ARG 64 H ARG 64 -0.731 -5.719 -5.895 506 HA ARG 64 HA ARG 64 -2.983 -6.481 -7.273 507 HB2 ARG 64 2HB ARG 64 -2.434 -6.124 -4.358 508 HB3 ARG 64 1HB ARG 64 -3.986 -6.699 -4.932 509 HG2 ARG 64 2HG ARG 64 -1.414 -8.027 -5.660 510 HG3 ARG 64 1HG ARG 64 -2.340 -8.452 -4.216 511 HD2 ARG 64 2HD ARG 64 -4.288 -8.811 -5.713 512 HD3 ARG 64 1HD ARG 64 -3.210 -8.580 -7.085 513 HE ARG 64 HE ARG 64 -1.883 -10.448 -6.157 514 HH11 ARG 64 1HH1 ARG 64 -5.414 -10.300 -5.603 515 HH12 ARG 64 2HH1 ARG 64 -5.538 -11.987 -5.342 516 HH21 ARG 64 1HH2 ARG 64 -2.130 -12.690 -5.820 517 HH22 ARG 64 2HH2 ARG 64 -3.643 -13.381 -5.473 518 H LEU 65 H LEU 65 -2.523 -3.662 -5.187 519 HA LEU 65 HA LEU 65 -5.224 -2.728 -5.341 520 HB2 LEU 65 2HB LEU 65 -2.721 -1.250 -4.618 521 HB3 LEU 65 1HB LEU 65 -4.364 -0.728 -4.294 522 HG LEU 65 HG LEU 65 -3.081 -3.186 -3.115 523 HD11 LEU 65 1HD1 LEU 65 -3.770 -0.550 -1.922 524 HD12 LEU 65 2HD1 LEU 65 -2.143 -1.039 -2.401 525 HD13 LEU 65 3HD1 LEU 65 -2.995 -1.915 -1.106 526 HD21 LEU 65 3HD2 LEU 65 -5.485 -3.359 -3.353 527 HD22 LEU 65 1HD2 LEU 65 -5.671 -1.790 -2.573 528 HD23 LEU 65 2HD2 LEU 65 -5.018 -3.153 -1.664 529 H PHE 66 H PHE 66 -2.249 -2.133 -7.011 530 HA PHE 66 HA PHE 66 -2.973 -0.007 -8.635 531 HB2 PHE 66 2HB PHE 66 -0.666 -0.779 -8.509 532 HB3 PHE 66 1HB PHE 66 -1.109 -2.339 -9.176 533 HD1 PHE 66 HD1 PHE 66 -0.834 1.265 -9.982 534 HD2 PHE 66 HD2 PHE 66 -1.077 -2.699 -11.496 535 HE1 PHE 66 HE1 PHE 66 -0.295 2.094 -12.231 536 HE2 PHE 66 HE2 PHE 66 -0.542 -1.878 -13.749 537 HZ PHE 66 HZ PHE 66 -0.150 0.521 -14.121 538 H ALA 67 H ALA 67 -3.711 -3.382 -8.802 539 HA ALA 67 HA ALA 67 -4.910 -3.334 -11.394 540 HB1 ALA 67 3HB ALA 67 -3.925 -5.378 -10.472 541 HB2 ALA 67 1HB ALA 67 -5.626 -5.596 -10.888 542 HB3 ALA 67 2HB ALA 67 -5.151 -5.383 -9.203 543 H GLN 68 H GLN 68 -6.120 -2.885 -8.038 544 HA GLN 68 HA GLN 68 -8.809 -3.305 -8.628 545 HB2 GLN 68 2HB GLN 68 -7.385 -1.844 -6.454 546 HB3 GLN 68 1HB GLN 68 -9.117 -1.881 -6.583 547 HG2 GLN 68 2HG GLN 68 -7.276 -3.908 -5.472 548 HG3 GLN 68 1HG GLN 68 -8.887 -3.497 -5.147 549 HE21 GLN 68 1HE2 GLN 68 -7.028 -5.499 -7.314 550 HE22 GLN 68 2HE2 GLN 68 -8.350 -6.490 -7.791 551 H GLY 69 H GLY 69 -6.908 -0.324 -8.168 552 HA2 GLY 69 2HA GLY 69 -8.497 1.324 -9.948 553 HA3 GLY 69 1HA GLY 69 -9.073 1.336 -8.335 554 H MET 70 H MET 70 -7.503 3.115 -10.252 555 HA MET 70 HA MET 70 -5.411 4.035 -8.545 556 HB2 MET 70 2HB MET 70 -5.480 6.131 -9.864 557 HB3 MET 70 1HB MET 70 -5.433 4.721 -10.902 558 HG2 MET 70 2HG MET 70 -7.832 4.961 -11.316 559 HG3 MET 70 1HG MET 70 -7.864 6.384 -10.275 560 HE1 MET 70 3HE MET 70 -8.286 7.913 -13.858 561 HE2 MET 70 1HE MET 70 -8.963 7.804 -12.233 562 HE3 MET 70 2HE MET 70 -8.942 6.382 -13.278 563 H ALA 71 H ALA 71 -8.788 4.366 -8.779 564 HA ALA 71 HA ALA 71 -9.145 6.500 -6.897 565 HB1 ALA 71 3HB ALA 71 -10.845 5.958 -8.545 566 HB2 ALA 71 1HB ALA 71 -11.505 5.686 -6.924 567 HB3 ALA 71 2HB ALA 71 -10.947 4.320 -7.917 568 H THR 72 H THR 72 -9.040 3.009 -6.883 569 HA THR 72 HA THR 72 -9.621 2.580 -4.183 570 HB THR 72 HB THR 72 -8.057 0.963 -6.213 571 HG1 THR 72 HG1 THR 72 -10.361 -0.117 -5.671 572 HG21 THR 72 3HG2 THR 72 -9.187 0.062 -3.521 573 HG22 THR 72 1HG2 THR 72 -7.481 0.184 -3.915 574 HG23 THR 72 2HG2 THR 72 -8.517 -1.007 -4.702 575 H TRP 73 H TRP 73 -6.616 3.192 -5.940 576 HA TRP 73 HA TRP 73 -4.843 2.857 -3.791 577 HB2 TRP 73 2HB TRP 73 -4.357 3.040 -6.323 578 HB3 TRP 73 1HB TRP 73 -4.463 4.775 -6.103 579 HD1 TRP 73 HD1 TRP 73 -2.340 5.979 -5.006 580 HE1 TRP 73 HE1 TRP 73 0.026 5.238 -4.503 581 HE3 TRP 73 HE3 TRP 73 -2.954 0.950 -5.580 582 HZ2 TRP 73 HZ2 TRP 73 1.487 2.868 -4.403 583 HZ3 TRP 73 HZ3 TRP 73 -0.969 -0.484 -5.291 584 HH2 TRP 73 HH2 TRP 73 1.191 0.458 -4.713 585 H LYS 74 H LYS 74 -6.551 5.779 -5.039 586 HA LYS 74 HA LYS 74 -5.674 7.667 -3.193 587 HB2 LYS 74 2HB LYS 74 -8.485 7.476 -4.347 588 HB3 LYS 74 1HB LYS 74 -7.752 8.905 -3.634 589 HG2 LYS 74 2HG LYS 74 -6.122 8.915 -5.496 590 HG3 LYS 74 1HG LYS 74 -7.001 7.552 -6.198 591 HD2 LYS 74 2HD LYS 74 -8.991 8.970 -6.267 592 HD3 LYS 74 1HD LYS 74 -7.996 10.238 -5.504 593 HE2 LYS 74 2HE LYS 74 -6.536 10.320 -7.337 594 HE3 LYS 74 1HE LYS 74 -7.356 8.966 -8.129 595 HZ1 LYS 74 3HZ LYS 74 -7.981 11.137 -9.071 596 HZ2 LYS 74 1HZ LYS 74 -8.585 11.637 -7.587 597 HZ3 LYS 74 2HZ LYS 74 -9.308 10.359 -8.401 598 H SER 75 H SER 75 -8.499 5.545 -2.869 599 HA SER 75 HA SER 75 -9.277 6.349 -0.404 600 HB2 SER 75 2HB SER 75 -9.429 3.717 -1.820 601 HB3 SER 75 1HB SER 75 -10.468 4.274 -0.517 602 HG SER 75 HG SER 75 -10.295 5.193 -3.193 603 H PHE 76 H PHE 76 -7.029 3.918 -1.507 604 HA PHE 76 HA PHE 76 -6.502 2.591 0.885 605 HB2 PHE 76 2HB PHE 76 -5.909 1.638 -1.270 606 HB3 PHE 76 1HB PHE 76 -4.750 2.923 -1.533 607 HD1 PHE 76 HD2 PHE 76 -5.499 0.193 0.874 608 HD2 PHE 76 HD1 PHE 76 -2.543 2.627 -0.953 609 HE1 PHE 76 HE2 PHE 76 -3.748 -1.111 1.996 610 HE2 PHE 76 HE1 PHE 76 -0.776 1.334 0.173 611 HZ PHE 76 HZ PHE 76 -1.389 -0.552 1.645 612 H ILE 77 H ILE 77 -4.635 5.256 -0.735 613 HA ILE 77 HA ILE 77 -2.715 5.185 1.327 614 HB ILE 77 HB ILE 77 -3.324 7.432 -0.571 615 HG12 ILE 77 2HG1 ILE 77 -2.898 5.278 -1.776 616 HG13 ILE 77 1HG1 ILE 77 -1.676 6.501 -2.087 617 HG21 ILE 77 1HG2 ILE 77 -0.805 6.602 0.891 618 HG22 ILE 77 2HG2 ILE 77 -1.892 7.899 1.375 619 HG23 ILE 77 3HG2 ILE 77 -0.992 8.028 -0.144 620 HD11 ILE 77 3HD1 ILE 77 -0.712 4.305 -1.835 621 HD12 ILE 77 1HD1 ILE 77 -1.385 4.176 -0.201 622 HD13 ILE 77 2HD1 ILE 77 -0.168 5.406 -0.569 623 H ASN 78 H ASN 78 -5.635 6.943 0.762 624 HA ASN 78 HA ASN 78 -5.596 8.931 2.717 625 HB2 ASN 78 2HB ASN 78 -7.374 8.626 0.998 626 HB3 ASN 78 1HB ASN 78 -7.926 7.196 1.854 627 HD21 ASN 78 1HD2 ASN 78 -6.946 10.389 3.089 628 HD22 ASN 78 2HD2 ASN 78 -8.460 10.711 3.841 629 H ASP 79 H ASP 79 -6.842 5.608 2.893 630 HA ASP 79 HA ASP 79 -7.345 5.568 5.681 631 HB2 ASP 79 2HB ASP 79 -7.091 3.389 3.620 632 HB3 ASP 79 1HB ASP 79 -7.245 3.024 5.333 633 H LEU 80 H LEU 80 -4.631 4.592 3.751 634 HA LEU 80 HA LEU 80 -3.013 3.178 5.473 635 HB2 LEU 80 2HB LEU 80 -2.674 3.588 3.083 636 HB3 LEU 80 1HB LEU 80 -2.435 5.243 3.434 637 HG LEU 80 HG LEU 80 -0.399 3.968 2.707 638 HD11 LEU 80 1HD1 LEU 80 -0.164 5.343 5.368 639 HD12 LEU 80 2HD1 LEU 80 -0.106 6.108 3.781 640 HD13 LEU 80 3HD1 LEU 80 1.167 4.985 4.266 641 HD21 LEU 80 3HD2 LEU 80 -0.889 2.002 3.913 642 HD22 LEU 80 1HD2 LEU 80 -0.643 2.863 5.432 643 HD23 LEU 80 2HD2 LEU 80 0.728 2.632 4.307 644 H CYS 81 H CYS 81 -2.952 6.643 4.937 645 HA CYS 81 HA CYS 81 -1.131 7.161 7.068 646 HB2 CYS 81 2HB CYS 81 -3.002 9.132 5.746 647 HB3 CYS 81 1HB CYS 81 -1.546 9.502 6.676 648 HG CYS 81 HG CYS 81 -1.805 8.153 3.593 649 H PHE 82 H PHE 82 -4.572 7.016 6.866 650 HA PHE 82 HA PHE 82 -5.202 8.423 9.247 651 HB2 PHE 82 2HB PHE 82 -6.736 8.047 7.289 652 HB3 PHE 82 1HB PHE 82 -6.833 6.378 7.775 653 HD1 PHE 82 HD2 PHE 82 -7.443 9.783 9.129 654 HD2 PHE 82 HD1 PHE 82 -8.493 5.662 9.213 655 HE1 PHE 82 HE2 PHE 82 -9.309 10.294 10.643 656 HE2 PHE 82 HE1 PHE 82 -10.360 6.165 10.728 657 HZ PHE 82 HZ PHE 82 -10.771 8.485 11.446 658 H GLU 83 H GLU 83 -4.932 4.983 8.463 659 HA GLU 83 HA GLU 83 -5.796 4.290 11.112 660 HB2 GLU 83 2HB GLU 83 -4.731 2.360 9.110 661 HB3 GLU 83 1HB GLU 83 -5.766 2.020 10.485 662 HG2 GLU 83 2HG GLU 83 -7.379 3.698 9.173 663 HG3 GLU 83 1HG GLU 83 -6.377 3.180 7.866 664 H LEU 84 H LEU 84 -2.745 4.798 9.641 665 HA LEU 84 HA LEU 84 -1.327 3.016 11.397 666 HB2 LEU 84 2HB LEU 84 -0.310 5.050 9.421 667 HB3 LEU 84 1HB LEU 84 0.727 4.022 10.389 668 HG LEU 84 HG LEU 84 -1.222 3.107 8.279 669 HD11 LEU 84 1HD1 LEU 84 0.802 2.348 7.125 670 HD12 LEU 84 2HD1 LEU 84 1.785 3.107 8.375 671 HD13 LEU 84 3HD1 LEU 84 0.760 4.097 7.336 672 HD21 LEU 84 3HD2 LEU 84 -1.154 1.464 10.059 673 HD22 LEU 84 1HD2 LEU 84 0.613 1.491 10.051 674 HD23 LEU 84 2HD2 LEU 84 -0.273 0.873 8.658 675 H ASP 85 H ASP 85 -2.890 5.004 12.674 676 HA ASP 85 HA ASP 85 -2.880 5.888 14.721 677 HB2 ASP 85 2HB ASP 85 0.094 5.352 14.772 678 HB3 ASP 85 1HB ASP 85 -0.838 5.942 16.141 679 H VAL 86 H VAL 86 -0.766 7.229 12.395 680 HA VAL 86 HA VAL 86 -1.423 9.824 13.486 681 HB VAL 86 HB VAL 86 0.803 9.449 14.342 682 HG11 VAL 86 1HG1 VAL 86 2.760 9.037 12.928 683 HG12 VAL 86 2HG1 VAL 86 1.700 8.870 11.529 684 HG13 VAL 86 3HG1 VAL 86 1.593 7.715 12.856 685 HG21 VAL 86 3HG2 VAL 86 2.036 11.333 13.338 686 HG22 VAL 86 1HG2 VAL 86 0.335 11.720 13.605 687 HG23 VAL 86 2HG2 VAL 86 0.908 11.332 11.984 688 HA PRO 87 HA PRO 87 -2.321 10.220 9.090 689 HB2 PRO 87 2HB PRO 87 -3.889 12.547 9.927 690 HB3 PRO 87 1HB PRO 87 -4.452 11.078 9.128 691 HG2 PRO 87 2HG PRO 87 -5.054 11.674 11.707 692 HG3 PRO 87 1HG PRO 87 -4.894 10.010 11.116 693 HD2 PRO 87 2HD PRO 87 -2.943 11.666 12.672 694 HD3 PRO 87 1HD PRO 87 -3.346 9.941 12.823 695 H LEU 88 H LEU 88 -0.172 10.811 8.937 696 HA LEU 88 HA LEU 88 0.732 13.417 9.618 697 HB2 LEU 88 2HB LEU 88 2.848 12.573 8.334 698 HB3 LEU 88 1HB LEU 88 2.449 11.993 9.934 699 HG LEU 88 HG LEU 88 1.474 9.944 8.911 700 HD11 LEU 88 1HD1 LEU 88 0.898 10.804 6.721 701 HD12 LEU 88 2HD1 LEU 88 1.953 9.395 6.595 702 HD13 LEU 88 3HD1 LEU 88 2.612 11.022 6.364 703 HD21 LEU 88 3HD2 LEU 88 3.587 8.919 8.311 704 HD22 LEU 88 1HD2 LEU 88 3.745 9.937 9.740 705 HD23 LEU 88 2HD2 LEU 88 4.334 10.513 8.179 706 H ASP 89 H ASP 89 -0.991 12.449 7.022 707 HA ASP 89 HA ASP 89 -1.494 13.255 5.021 708 HB2 ASP 89 2HB ASP 89 -2.416 15.062 6.261 709 HB3 ASP 89 1HB ASP 89 -0.853 15.852 6.408 710 H MET 90 H MET 90 0.033 12.163 3.991 711 HA MET 90 HA MET 90 1.427 13.846 2.102 712 HB2 MET 90 2HB MET 90 3.532 12.603 2.197 713 HB3 MET 90 1HB MET 90 3.213 13.271 3.785 714 HG2 MET 90 2HG MET 90 2.293 11.027 4.424 715 HG3 MET 90 1HG MET 90 2.884 10.426 2.887 716 HE1 MET 90 3HE MET 90 6.781 11.008 3.256 717 HE2 MET 90 1HE MET 90 5.630 12.180 2.611 718 HE3 MET 90 2HE MET 90 5.493 10.476 2.177 719 H GLU 91 H GLU 91 -0.878 12.281 2.455 720 HA GLU 91 HA GLU 91 -0.589 9.671 1.394 721 HB2 GLU 91 2HB GLU 91 -3.068 9.672 1.461 722 HB3 GLU 91 1HB GLU 91 -2.309 10.077 2.995 723 HG2 GLU 91 2HG GLU 91 -2.715 12.515 2.304 724 HG3 GLU 91 1HG GLU 91 -3.781 11.815 1.079 725 H ILE 92 H ILE 92 -1.466 12.768 0.156 726 HA ILE 92 HA ILE 92 -2.450 11.755 -2.273 727 HB ILE 92 HB ILE 92 -1.574 14.516 -1.401 728 HG12 ILE 92 2HG1 ILE 92 -3.495 13.729 -0.171 729 HG13 ILE 92 1HG1 ILE 92 -3.967 15.039 -1.244 730 HG21 ILE 92 1HG2 ILE 92 -2.924 13.769 -3.946 731 HG22 ILE 92 2HG2 ILE 92 -1.348 14.556 -3.677 732 HG23 ILE 92 3HG2 ILE 92 -2.840 15.412 -3.292 733 HD11 ILE 92 3HD1 ILE 92 -5.638 13.301 -1.203 734 HD12 ILE 92 1HD1 ILE 92 -4.443 12.102 -1.708 735 HD13 ILE 92 2HD1 ILE 92 -4.896 13.414 -2.799 736 HA PRO 93 HA PRO 93 2.193 12.853 -3.906 737 HB2 PRO 93 2HB PRO 93 3.328 12.094 -1.243 738 HB3 PRO 93 1HB PRO 93 4.006 13.159 -2.478 739 HG2 PRO 93 2HG PRO 93 2.858 14.190 -0.323 740 HG3 PRO 93 1HG PRO 93 2.596 14.923 -1.918 741 HD2 PRO 93 2HD PRO 93 0.730 13.305 -0.268 742 HD3 PRO 93 1HD PRO 93 0.412 14.607 -1.427 743 H LEU 94 H LEU 94 1.636 10.570 -1.246 744 HA LEU 94 HA LEU 94 2.852 8.336 -2.383 745 HB2 LEU 94 2HB LEU 94 0.921 8.749 -0.201 746 HB3 LEU 94 1HB LEU 94 0.962 7.137 -0.879 747 HG LEU 94 HG LEU 94 2.299 7.325 1.134 748 HD11 LEU 94 1HD1 LEU 94 2.983 5.705 -0.481 749 HD12 LEU 94 2HD1 LEU 94 4.417 6.435 0.254 750 HD13 LEU 94 3HD1 LEU 94 3.916 6.907 -1.366 751 HD21 LEU 94 3HD2 LEU 94 2.925 9.628 1.053 752 HD22 LEU 94 1HD2 LEU 94 3.793 9.344 -0.448 753 HD23 LEU 94 2HD2 LEU 94 4.405 8.648 1.061 754 H VAL 95 H VAL 95 -0.519 9.462 -2.669 755 HA VAL 95 HA VAL 95 -1.186 7.087 -4.024 756 HB VAL 95 HB VAL 95 -2.977 8.181 -2.786 757 HG11 VAL 95 1HG1 VAL 95 -4.208 9.898 -3.700 758 HG12 VAL 95 2HG1 VAL 95 -2.609 10.550 -4.290 759 HG13 VAL 95 3HG1 VAL 95 -2.906 10.051 -2.560 760 HG21 VAL 95 3HG2 VAL 95 -4.672 8.367 -4.615 761 HG22 VAL 95 1HG2 VAL 95 -3.894 6.791 -4.395 762 HG23 VAL 95 2HG2 VAL 95 -3.356 7.891 -5.674 763 H SER 96 H SER 96 -0.331 10.073 -4.933 764 HA SER 96 HA SER 96 -0.868 10.121 -7.673 765 HB2 SER 96 2HB SER 96 0.076 11.968 -6.357 766 HB3 SER 96 1HB SER 96 1.639 11.166 -6.389 767 HG SER 96 HG SER 96 0.219 12.381 -8.506 768 H ILE 97 H ILE 97 1.348 8.173 -5.948 769 HA ILE 97 HA ILE 97 3.327 7.769 -7.899 770 HB ILE 97 HB ILE 97 3.199 7.282 -5.280 771 HG12 ILE 97 2HG1 ILE 97 4.862 5.504 -7.055 772 HG13 ILE 97 1HG1 ILE 97 5.176 7.227 -6.878 773 HG21 ILE 97 1HG2 ILE 97 1.560 5.449 -5.462 774 HG22 ILE 97 2HG2 ILE 97 3.083 4.855 -4.804 775 HG23 ILE 97 3HG2 ILE 97 2.666 4.549 -6.489 776 HD11 ILE 97 3HD1 ILE 97 6.612 6.038 -5.413 777 HD12 ILE 97 1HD1 ILE 97 5.245 5.155 -4.712 778 HD13 ILE 97 2HD1 ILE 97 5.399 6.886 -4.458 779 H TRP 98 H TRP 98 0.134 6.605 -7.655 780 HA TRP 98 HA TRP 98 0.288 4.042 -8.762 781 HB2 TRP 98 2HB TRP 98 -1.721 5.121 -7.672 782 HB3 TRP 98 1HB TRP 98 -1.940 6.045 -9.151 783 HD1 TRP 98 HD1 TRP 98 -2.481 2.685 -7.629 784 HE1 TRP 98 HE1 TRP 98 -3.915 1.214 -9.230 785 HE3 TRP 98 HE3 TRP 98 -2.352 5.606 -11.811 786 HZ2 TRP 98 HZ2 TRP 98 -4.800 1.268 -11.874 787 HZ3 TRP 98 HZ3 TRP 98 -3.506 4.819 -13.838 788 HH2 TRP 98 HH2 TRP 98 -4.702 2.694 -13.861 789 H GLY 99 H GLY 99 1.434 3.801 -10.527 790 HA2 GLY 99 2HA GLY 99 0.864 3.803 -12.995 791 HA3 GLY 99 1HA GLY 99 0.849 5.556 -12.797 792 HA PRO 100 HA PRO 100 5.356 4.119 -12.429 793 HB2 PRO 100 2HB PRO 100 5.607 1.601 -13.785 794 HB3 PRO 100 1HB PRO 100 5.926 1.946 -12.084 795 HG2 PRO 100 2HG PRO 100 3.860 0.367 -13.043 796 HG3 PRO 100 1HG PRO 100 3.913 1.112 -11.440 797 HD2 PRO 100 2HD PRO 100 2.433 1.953 -13.877 798 HD3 PRO 100 1HD PRO 100 1.998 2.129 -12.166 799 H ARG 101 H ARG 101 5.117 5.784 -13.958 800 HA ARG 101 HA ARG 101 6.273 5.139 -16.427 801 HB2 ARG 101 2HB ARG 101 4.449 6.542 -17.702 802 HB3 ARG 101 1HB ARG 101 4.210 4.841 -17.343 803 HG2 ARG 101 2HG ARG 101 2.133 5.975 -16.979 804 HG3 ARG 101 1HG ARG 101 2.775 5.478 -15.424 805 HD2 ARG 101 2HD ARG 101 3.606 7.791 -15.095 806 HD3 ARG 101 1HD ARG 101 2.832 8.245 -16.611 807 HE ARG 101 HE ARG 101 0.846 7.089 -15.173 808 HH11 ARG 101 1HH1 ARG 101 2.977 9.833 -14.685 809 HH12 ARG 101 2HH1 ARG 101 1.970 10.636 -13.575 810 HH21 ARG 101 1HH2 ARG 101 -0.564 8.164 -13.648 811 HH22 ARG 101 2HH2 ARG 101 -0.106 9.660 -12.980 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 -10.350 11.862 3.631 2 H2 GLY 1 2H GLY 1 -11.239 11.756 2.195 3 H3 GLY 1 3H GLY 1 -11.678 12.872 3.368 4 HA2 GLY 1 1HA GLY 1 -9.674 14.109 3.018 5 HA3 GLY 1 2HA GLY 1 -9.191 12.923 1.806 6 HA PRO 2 HA PRO 2 -11.524 16.259 -0.459 7 HB2 PRO 2 2HB PRO 2 -9.470 15.631 -2.492 8 HB3 PRO 2 1HB PRO 2 -9.953 17.201 -1.863 9 HG2 PRO 2 2HG PRO 2 -7.609 16.159 -1.185 10 HG3 PRO 2 1HG PRO 2 -8.591 17.030 0.009 11 HD2 PRO 2 2HD PRO 2 -8.285 14.070 -0.385 12 HD3 PRO 2 1HD PRO 2 -8.246 15.010 1.123 13 H LEU 3 H LEU 3 -12.859 15.985 -2.293 14 HA LEU 3 HA LEU 3 -13.465 13.205 -2.795 15 HB2 LEU 3 2HB LEU 3 -14.975 15.704 -3.581 16 HB3 LEU 3 1HB LEU 3 -15.504 14.079 -3.937 17 HG LEU 3 HG LEU 3 -16.800 14.807 -2.128 18 HD11 LEU 3 1HD1 LEU 3 -14.652 13.060 -0.983 19 HD12 LEU 3 2HD1 LEU 3 -16.084 12.543 -1.871 20 HD13 LEU 3 3HD1 LEU 3 -16.256 13.315 -0.295 21 HD21 LEU 3 3HD2 LEU 3 -14.278 15.676 -0.712 22 HD22 LEU 3 1HD2 LEU 3 -15.900 15.711 -0.020 23 HD23 LEU 3 2HD2 LEU 3 -15.508 16.735 -1.402 24 H GLY 4 H GLY 4 -12.184 12.342 -4.253 25 HA2 GLY 4 2HA GLY 4 -11.625 11.780 -6.426 26 HA3 GLY 4 1HA GLY 4 -12.500 13.203 -6.972 27 H SER 5 H SER 5 -11.467 15.224 -6.921 28 HA SER 5 HA SER 5 -8.727 15.034 -7.668 29 HB2 SER 5 2HB SER 5 -10.450 17.483 -7.324 30 HB3 SER 5 1HB SER 5 -8.935 17.372 -8.225 31 HG SER 5 HG SER 5 -9.959 15.856 -9.600 32 H MET 6 H MET 6 -7.575 14.493 -5.977 33 HA MET 6 HA MET 6 -7.392 16.366 -3.687 34 HB2 MET 6 2HB MET 6 -6.525 14.487 -2.415 35 HB3 MET 6 1HB MET 6 -8.148 14.135 -3.002 36 HG2 MET 6 2HG MET 6 -7.190 12.751 -4.777 37 HG3 MET 6 1HG MET 6 -5.576 13.157 -4.199 38 HE1 MET 6 3HE MET 6 -8.767 12.364 -1.977 39 HE2 MET 6 1HE MET 6 -8.604 10.620 -1.779 40 HE3 MET 6 2HE MET 6 -8.953 11.299 -3.371 41 H ASP 7 H ASP 7 -6.084 15.358 -6.415 42 HA ASP 7 HA ASP 7 -3.342 14.828 -5.827 43 HB2 ASP 7 2HB ASP 7 -4.690 15.359 -8.455 44 HB3 ASP 7 1HB ASP 7 -3.115 14.605 -8.193 45 H ALA 8 H ALA 8 -3.188 16.793 -4.649 46 HA ALA 8 HA ALA 8 -2.689 19.273 -6.013 47 HB1 ALA 8 3HB ALA 8 -1.939 18.349 -3.243 48 HB2 ALA 8 1HB ALA 8 -3.394 19.234 -3.677 49 HB3 ALA 8 2HB ALA 8 -1.812 20.014 -3.821 50 H GLU 9 H GLU 9 -0.816 16.548 -4.938 51 HA GLU 9 HA GLU 9 1.791 17.507 -5.062 52 HB2 GLU 9 2HB GLU 9 2.456 15.197 -5.187 53 HB3 GLU 9 1HB GLU 9 1.089 15.367 -4.090 54 HG2 GLU 9 2HG GLU 9 0.313 13.556 -5.187 55 HG3 GLU 9 1HG GLU 9 -0.182 14.769 -6.374 56 H SER 10 H SER 10 -0.322 16.426 -7.506 57 HA SER 10 HA SER 10 1.315 15.931 -9.663 58 HB2 SER 10 2HB SER 10 -1.429 17.104 -9.478 59 HB3 SER 10 1HB SER 10 -0.777 16.254 -10.898 60 HG SER 10 HG SER 10 -0.355 14.598 -8.992 61 H ILE 11 H ILE 11 0.171 18.878 -8.271 62 HA ILE 11 HA ILE 11 0.858 20.521 -10.495 63 HB ILE 11 HB ILE 11 -0.375 20.966 -7.763 64 HG12 ILE 11 2HG1 ILE 11 -2.397 21.250 -8.737 65 HG13 ILE 11 1HG1 ILE 11 -1.818 21.540 -10.405 66 HG21 ILE 11 1HG2 ILE 11 0.898 22.952 -8.288 67 HG22 ILE 11 2HG2 ILE 11 -0.829 23.287 -8.395 68 HG23 ILE 11 3HG2 ILE 11 0.120 23.064 -9.865 69 HD11 ILE 11 3HD1 ILE 11 -3.130 19.541 -10.148 70 HD12 ILE 11 1HD1 ILE 11 -2.191 19.038 -8.742 71 HD13 ILE 11 2HD1 ILE 11 -1.451 19.035 -10.337 72 H ARG 12 H ARG 12 2.385 19.293 -7.589 73 HA ARG 12 HA ARG 12 4.275 21.510 -7.618 74 HB2 ARG 12 2HB ARG 12 3.625 19.499 -5.505 75 HB3 ARG 12 1HB ARG 12 4.887 20.705 -5.382 76 HG2 ARG 12 2HG ARG 12 1.920 21.208 -5.594 77 HG3 ARG 12 1HG ARG 12 2.923 21.420 -4.156 78 HD2 ARG 12 2HD ARG 12 3.093 23.000 -6.728 79 HD3 ARG 12 1HD ARG 12 2.475 23.565 -5.181 80 HE ARG 12 HE ARG 12 5.003 22.755 -4.636 81 HH11 ARG 12 1HH1 ARG 12 3.528 25.148 -6.765 82 HH12 ARG 12 2HH1 ARG 12 4.924 26.109 -6.921 83 HH21 ARG 12 1HH2 ARG 12 6.945 24.094 -4.800 84 HH22 ARG 12 2HH2 ARG 12 6.931 25.489 -5.761 85 H LEU 13 H LEU 13 4.411 17.994 -6.784 86 HA LEU 13 HA LEU 13 6.229 17.041 -8.608 87 HB2 LEU 13 2HB LEU 13 7.457 18.449 -6.349 88 HB3 LEU 13 1HB LEU 13 8.147 16.894 -6.771 89 HG LEU 13 HG LEU 13 7.943 19.310 -8.589 90 HD11 LEU 13 1HD1 LEU 13 9.579 19.518 -6.859 91 HD12 LEU 13 2HD1 LEU 13 10.360 19.264 -8.442 92 HD13 LEU 13 3HD1 LEU 13 10.216 17.925 -7.281 93 HD21 LEU 13 3HD2 LEU 13 9.322 17.967 -10.136 94 HD22 LEU 13 1HD2 LEU 13 7.722 17.264 -9.898 95 HD23 LEU 13 2HD2 LEU 13 9.121 16.577 -9.077 96 H ASN 14 H ASN 14 7.356 15.052 -7.728 97 HA ASN 14 HA ASN 14 6.752 14.064 -5.173 98 HB2 ASN 14 2HB ASN 14 5.610 11.967 -5.841 99 HB3 ASN 14 1HB ASN 14 4.632 13.354 -6.266 100 HD21 ASN 14 1HD2 ASN 14 3.477 12.245 -7.713 101 HD22 ASN 14 2HD2 ASN 14 4.056 11.704 -9.254 102 H ASN 15 H ASN 15 7.791 11.686 -5.085 103 HA ASN 15 HA ASN 15 9.936 11.346 -6.958 104 HB2 ASN 15 2HB ASN 15 10.805 13.258 -5.644 105 HB3 ASN 15 1HB ASN 15 10.546 12.355 -4.164 106 HD21 ASN 15 1HD2 ASN 15 12.496 12.631 -7.024 107 HD22 ASN 15 2HD2 ASN 15 13.829 11.706 -6.472 108 H GLU 16 H GLU 16 11.415 9.575 -6.220 109 HA GLU 16 HA GLU 16 10.246 7.149 -5.633 110 HB2 GLU 16 2HB GLU 16 13.062 7.982 -5.022 111 HB3 GLU 16 1HB GLU 16 12.472 6.340 -5.210 112 HG2 GLU 16 2HG GLU 16 11.954 6.810 -7.550 113 HG3 GLU 16 1HG GLU 16 12.581 8.447 -7.345 114 H ASN 17 H ASN 17 11.407 9.558 -3.421 115 HA ASN 17 HA ASN 17 11.840 8.053 -1.108 116 HB2 ASN 17 2HB ASN 17 10.868 10.900 -1.388 117 HB3 ASN 17 1HB ASN 17 11.303 10.180 0.152 118 HD21 ASN 17 1HD2 ASN 17 13.589 8.687 -0.953 119 HD22 ASN 17 2HD2 ASN 17 14.798 9.857 -1.262 120 H LEU 18 H LEU 18 8.830 9.113 -2.523 121 HA LEU 18 HA LEU 18 7.132 8.617 -0.309 122 HB2 LEU 18 2HB LEU 18 6.640 8.654 -3.279 123 HB3 LEU 18 1HB LEU 18 5.373 8.227 -2.157 124 HG LEU 18 HG LEU 18 5.097 10.489 -2.860 125 HD11 LEU 18 1HD1 LEU 18 4.453 10.008 -0.659 126 HD12 LEU 18 2HD1 LEU 18 5.119 11.651 -0.698 127 HD13 LEU 18 3HD1 LEU 18 6.071 10.320 -0.034 128 HD21 LEU 18 3HD2 LEU 18 6.727 12.238 -2.455 129 HD22 LEU 18 1HD2 LEU 18 7.403 10.990 -3.493 130 HD23 LEU 18 2HD2 LEU 18 7.856 11.053 -1.789 131 H TRP 19 H TRP 19 8.312 6.633 -2.930 132 HA TRP 19 HA TRP 19 6.612 4.448 -2.368 133 HB2 TRP 19 2HB TRP 19 7.592 4.873 -4.615 134 HB3 TRP 19 1HB TRP 19 9.179 4.466 -3.975 135 HD1 TRP 19 HD1 TRP 19 9.845 2.023 -4.357 136 HE1 TRP 19 HE1 TRP 19 8.586 -0.199 -4.705 137 HE3 TRP 19 HE3 TRP 19 5.070 3.747 -3.922 138 HZ2 TRP 19 HZ2 TRP 19 5.923 -1.094 -4.760 139 HZ3 TRP 19 HZ3 TRP 19 3.210 2.135 -4.114 140 HH2 TRP 19 HH2 TRP 19 3.630 -0.232 -4.531 141 H ALA 20 H ALA 20 9.984 5.163 -1.676 142 HA ALA 20 HA ALA 20 10.585 2.722 -0.419 143 HB1 ALA 20 3HB ALA 20 12.288 4.282 -1.212 144 HB2 ALA 20 1HB ALA 20 12.525 3.807 0.469 145 HB3 ALA 20 2HB ALA 20 11.856 5.401 0.089 146 H TRP 21 H TRP 21 9.483 5.820 0.928 147 HA TRP 21 HA TRP 21 9.444 5.123 3.620 148 HB2 TRP 21 2HB TRP 21 9.081 7.406 3.229 149 HB3 TRP 21 1HB TRP 21 7.903 7.101 1.964 150 HD1 TRP 21 HD1 TRP 21 5.472 7.414 2.613 151 HE1 TRP 21 HE1 TRP 21 4.126 7.657 4.778 152 HE3 TRP 21 HE3 TRP 21 9.208 6.554 5.996 153 HZ2 TRP 21 HZ2 TRP 21 4.556 7.506 7.529 154 HZ3 TRP 21 HZ3 TRP 21 8.649 6.630 8.391 155 HH2 TRP 21 HH2 TRP 21 6.373 7.101 9.145 156 H LEU 22 H LEU 22 6.927 4.760 1.179 157 HA LEU 22 HA LEU 22 4.945 3.683 2.828 158 HB2 LEU 22 2HB LEU 22 4.656 4.636 0.541 159 HB3 LEU 22 1HB LEU 22 5.432 3.232 -0.122 160 HG LEU 22 HG LEU 22 2.945 3.288 -0.407 161 HD11 LEU 22 1HD1 LEU 22 3.973 0.940 1.148 162 HD12 LEU 22 2HD1 LEU 22 4.073 1.175 -0.598 163 HD13 LEU 22 3HD1 LEU 22 2.502 0.973 0.179 164 HD21 LEU 22 3HD2 LEU 22 1.513 2.736 1.501 165 HD22 LEU 22 1HD2 LEU 22 2.319 4.287 1.719 166 HD23 LEU 22 2HD2 LEU 22 2.902 2.864 2.577 167 H VAL 23 H VAL 23 7.277 2.071 0.700 168 HA VAL 23 HA VAL 23 6.460 -0.526 1.190 169 HB VAL 23 HB VAL 23 9.101 0.585 0.227 170 HG11 VAL 23 1HG1 VAL 23 9.571 -1.563 1.290 171 HG12 VAL 23 2HG1 VAL 23 9.741 -1.653 -0.462 172 HG13 VAL 23 3HG1 VAL 23 8.303 -2.329 0.324 173 HG21 VAL 23 3HG2 VAL 23 8.341 -0.298 -1.915 174 HG22 VAL 23 1HG2 VAL 23 7.189 0.853 -1.238 175 HG23 VAL 23 2HG2 VAL 23 6.861 -0.877 -1.148 176 H ARG 24 H ARG 24 9.044 1.298 2.781 177 HA ARG 24 HA ARG 24 9.817 -0.960 4.358 178 HB2 ARG 24 2HB ARG 24 11.330 0.930 3.665 179 HB3 ARG 24 1HB ARG 24 10.479 1.958 4.795 180 HG2 ARG 24 2HG ARG 24 12.425 1.360 5.931 181 HG3 ARG 24 1HG ARG 24 11.212 0.267 6.587 182 HD2 ARG 24 2HD ARG 24 13.117 -0.466 4.351 183 HD3 ARG 24 1HD ARG 24 13.442 -0.778 6.048 184 HE ARG 24 HE ARG 24 11.102 -2.032 5.713 185 HH11 ARG 24 1HH1 ARG 24 14.040 -2.143 3.693 186 HH12 ARG 24 2HH1 ARG 24 13.826 -3.771 3.247 187 HH21 ARG 24 1HH2 ARG 24 10.855 -4.236 5.120 188 HH22 ARG 24 2HH2 ARG 24 11.977 -5.002 4.077 189 H LEU 25 H LEU 25 7.656 1.776 4.849 190 HA LEU 25 HA LEU 25 7.356 1.401 7.678 191 HB2 LEU 25 2HB LEU 25 6.787 3.475 6.232 192 HB3 LEU 25 1HB LEU 25 5.351 2.622 5.763 193 HG LEU 25 HG LEU 25 4.869 4.350 7.452 194 HD11 LEU 25 1HD1 LEU 25 4.406 1.607 8.536 195 HD12 LEU 25 2HD1 LEU 25 3.366 2.539 7.449 196 HD13 LEU 25 3HD1 LEU 25 3.653 3.106 9.088 197 HD21 LEU 25 3HD2 LEU 25 5.670 4.203 9.697 198 HD22 LEU 25 1HD2 LEU 25 7.026 4.330 8.584 199 HD23 LEU 25 2HD2 LEU 25 6.614 2.769 9.312 200 H LEU 26 H LEU 26 5.528 0.374 4.855 201 HA LEU 26 HA LEU 26 3.592 -1.085 6.322 202 HB2 LEU 26 2HB LEU 26 4.361 -1.146 3.463 203 HB3 LEU 26 1HB LEU 26 2.957 -1.929 4.173 204 HG LEU 26 HG LEU 26 3.424 0.954 3.625 205 HD11 LEU 26 1HD1 LEU 26 1.254 -0.840 3.967 206 HD12 LEU 26 2HD1 LEU 26 1.975 -0.479 2.353 207 HD13 LEU 26 3HD1 LEU 26 1.013 0.764 3.265 208 HD21 LEU 26 3HD2 LEU 26 3.212 0.936 6.086 209 HD22 LEU 26 1HD2 LEU 26 1.701 0.041 5.942 210 HD23 LEU 26 2HD2 LEU 26 1.825 1.685 5.312 211 H SER 27 H SER 27 6.782 -1.818 5.173 212 HA SER 27 HA SER 27 6.499 -4.623 5.251 213 HB2 SER 27 2HB SER 27 8.901 -4.681 4.943 214 HB3 SER 27 1HB SER 27 8.437 -3.134 4.242 215 HG SER 27 HG SER 27 8.928 -2.231 6.380 216 H LYS 28 H LYS 28 6.524 -2.220 7.650 217 HA LYS 28 HA LYS 28 7.413 -3.958 9.775 218 HB2 LYS 28 2HB LYS 28 6.389 -1.163 10.029 219 HB3 LYS 28 1HB LYS 28 7.396 -2.044 11.166 220 HG2 LYS 28 2HG LYS 28 9.068 -2.105 9.110 221 HG3 LYS 28 1HG LYS 28 8.024 -0.868 8.572 222 HD2 LYS 28 2HD LYS 28 9.332 -0.796 11.237 223 HD3 LYS 28 1HD LYS 28 9.983 0.033 9.814 224 HE2 LYS 28 2HE LYS 28 7.902 1.329 9.658 225 HE3 LYS 28 1HE LYS 28 7.286 0.531 11.105 226 HZ1 LYS 28 3HZ LYS 28 9.660 2.293 10.933 227 HZ2 LYS 28 1HZ LYS 28 9.160 1.494 12.328 228 HZ3 LYS 28 2HZ LYS 28 8.181 2.676 11.650 229 H ASN 29 H ASN 29 4.647 -3.348 8.053 230 HA ASN 29 HA ASN 29 2.809 -3.933 10.229 231 HB2 ASN 29 2HB ASN 29 2.531 -1.784 8.167 232 HB3 ASN 29 1HB ASN 29 1.225 -2.273 9.077 233 HD21 ASN 29 1HD2 ASN 29 4.071 -0.412 9.134 234 HD22 ASN 29 2HD2 ASN 29 3.875 0.260 10.720 235 HA PRO 30 HA PRO 30 2.165 -6.101 6.028 236 HB2 PRO 30 2HB PRO 30 2.784 -8.637 7.361 237 HB3 PRO 30 1HB PRO 30 3.533 -7.948 5.919 238 HG2 PRO 30 2HG PRO 30 4.856 -8.161 8.264 239 HG3 PRO 30 1HG PRO 30 5.148 -6.819 7.136 240 HD2 PRO 30 2HD PRO 30 3.448 -6.897 9.604 241 HD3 PRO 30 1HD PRO 30 4.605 -5.657 9.113 242 H GLU 31 H GLU 31 1.446 -6.599 9.291 243 HA GLU 31 HA GLU 31 -0.784 -8.319 9.066 244 HB2 GLU 31 2HB GLU 31 0.018 -6.439 11.277 245 HB3 GLU 31 1HB GLU 31 -1.145 -7.752 11.408 246 HG2 GLU 31 2HG GLU 31 0.657 -9.366 10.925 247 HG3 GLU 31 1HG GLU 31 1.793 -8.018 10.827 248 H TRP 32 H TRP 32 -0.345 -4.716 9.245 249 HA TRP 32 HA TRP 32 -3.165 -4.332 9.277 250 HB2 TRP 32 2HB TRP 32 -1.804 -2.571 10.227 251 HB3 TRP 32 1HB TRP 32 -0.844 -2.449 8.753 252 HD1 TRP 32 HD1 TRP 32 -4.257 -1.443 10.175 253 HE1 TRP 32 HE1 TRP 32 -5.336 0.271 8.585 254 HE3 TRP 32 HE3 TRP 32 -0.841 -1.596 6.430 255 HZ2 TRP 32 HZ2 TRP 32 -4.758 1.468 6.025 256 HZ3 TRP 32 HZ3 TRP 32 -1.126 -0.225 4.494 257 HH2 TRP 32 HH2 TRP 32 -3.063 1.314 4.272 258 H LEU 33 H LEU 33 -0.638 -4.345 6.881 259 HA LEU 33 HA LEU 33 -2.119 -3.285 4.768 260 HB2 LEU 33 2HB LEU 33 0.397 -3.523 5.059 261 HB3 LEU 33 1HB LEU 33 0.225 -5.156 4.534 262 HG LEU 33 HG LEU 33 1.047 -3.557 2.770 263 HD11 LEU 33 1HD1 LEU 33 -1.557 -4.878 2.177 264 HD12 LEU 33 2HD1 LEU 33 0.046 -5.643 2.036 265 HD13 LEU 33 3HD1 LEU 33 -0.415 -4.275 0.992 266 HD21 LEU 33 3HD2 LEU 33 -0.477 -2.105 1.708 267 HD22 LEU 33 1HD2 LEU 33 -0.359 -1.700 3.416 268 HD23 LEU 33 2HD2 LEU 33 -1.770 -2.579 2.812 269 H SER 34 H SER 34 -1.491 -6.635 5.690 270 HA SER 34 HA SER 34 -2.840 -7.852 3.579 271 HB2 SER 34 2HB SER 34 -3.126 -9.799 5.221 272 HB3 SER 34 1HB SER 34 -1.475 -9.245 4.936 273 HG SER 34 HG SER 34 -1.354 -8.512 6.875 274 H ALA 35 H ALA 35 -4.126 -6.977 6.735 275 HA ALA 35 HA ALA 35 -6.788 -7.614 6.467 276 HB1 ALA 35 3HB ALA 35 -5.786 -6.790 8.543 277 HB2 ALA 35 1HB ALA 35 -7.255 -5.903 8.137 278 HB3 ALA 35 2HB ALA 35 -5.673 -5.176 7.845 279 H LYS 36 H LYS 36 -5.158 -4.673 5.364 280 HA LYS 36 HA LYS 36 -7.580 -3.608 4.314 281 HB2 LYS 36 2HB LYS 36 -4.699 -2.702 3.900 282 HB3 LYS 36 1HB LYS 36 -6.069 -1.852 3.204 283 HG2 LYS 36 2HG LYS 36 -5.650 -2.372 6.103 284 HG3 LYS 36 1HG LYS 36 -5.247 -0.884 5.252 285 HD2 LYS 36 2HD LYS 36 -8.007 -2.065 5.277 286 HD3 LYS 36 1HD LYS 36 -7.471 -0.874 6.476 287 HE2 LYS 36 2HE LYS 36 -7.012 0.645 4.525 288 HE3 LYS 36 1HE LYS 36 -7.742 -0.599 3.503 289 HZ1 LYS 36 3HZ LYS 36 -9.336 1.158 4.149 290 HZ2 LYS 36 1HZ LYS 36 -9.078 0.726 5.765 291 HZ3 LYS 36 2HZ LYS 36 -9.800 -0.372 4.702 292 H LEU 37 H LEU 37 -5.054 -5.566 2.988 293 HA LEU 37 HA LEU 37 -5.895 -5.517 0.310 294 HB2 LEU 37 2HB LEU 37 -4.765 -7.863 1.832 295 HB3 LEU 37 1HB LEU 37 -4.945 -7.771 0.098 296 HG LEU 37 HG LEU 37 -3.109 -6.101 1.790 297 HD11 LEU 37 1HD1 LEU 37 -2.539 -8.304 -0.189 298 HD12 LEU 37 2HD1 LEU 37 -2.440 -8.445 1.562 299 HD13 LEU 37 3HD1 LEU 37 -1.336 -7.375 0.706 300 HD21 LEU 37 3HD2 LEU 37 -2.211 -5.298 -0.354 301 HD22 LEU 37 1HD2 LEU 37 -3.898 -4.836 -0.133 302 HD23 LEU 37 2HD2 LEU 37 -3.483 -6.174 -1.204 303 H ARG 38 H ARG 38 -7.113 -7.185 3.105 304 HA ARG 38 HA ARG 38 -8.781 -9.050 1.773 305 HB2 ARG 38 2HB ARG 38 -9.336 -7.843 4.471 306 HB3 ARG 38 1HB ARG 38 -9.867 -9.398 3.858 307 HG2 ARG 38 2HG ARG 38 -7.374 -10.084 3.843 308 HG3 ARG 38 1HG ARG 38 -7.070 -8.601 4.595 309 HD2 ARG 38 2HD ARG 38 -8.607 -9.147 6.426 310 HD3 ARG 38 1HD ARG 38 -8.886 -10.702 5.637 311 HE ARG 38 HE ARG 38 -6.250 -9.855 6.672 312 HH11 ARG 38 1HH1 ARG 38 -8.672 -12.425 6.190 313 HH12 ARG 38 2HH1 ARG 38 -7.728 -13.605 6.965 314 HH21 ARG 38 1HH2 ARG 38 -5.026 -11.468 7.753 315 HH22 ARG 38 2HH2 ARG 38 -5.607 -13.062 7.907 316 H SER 39 H SER 39 -9.141 -5.722 2.534 317 HA SER 39 HA SER 39 -11.969 -5.648 2.016 318 HB2 SER 39 2HB SER 39 -10.899 -4.218 3.741 319 HB3 SER 39 1HB SER 39 -9.983 -3.435 2.456 320 HG SER 39 HG SER 39 -12.533 -3.053 3.296 321 H PHE 40 H PHE 40 -8.974 -4.678 0.394 322 HA PHE 40 HA PHE 40 -10.349 -3.494 -1.886 323 HB2 PHE 40 2HB PHE 40 -7.468 -3.935 -1.209 324 HB3 PHE 40 1HB PHE 40 -8.010 -3.214 -2.729 325 HD1 PHE 40 HD2 PHE 40 -9.704 -1.330 -2.451 326 HD2 PHE 40 HD1 PHE 40 -7.056 -2.446 0.667 327 HE1 PHE 40 HE2 PHE 40 -9.992 0.902 -1.396 328 HE2 PHE 40 HE1 PHE 40 -7.331 -0.265 1.696 329 HZ PHE 40 HZ PHE 40 -8.793 1.419 0.685 330 H LEU 41 H LEU 41 -8.365 -6.412 -1.353 331 HA LEU 41 HA LEU 41 -8.752 -7.304 -4.040 332 HB2 LEU 41 2HB LEU 41 -7.319 -8.332 -1.629 333 HB3 LEU 41 1HB LEU 41 -7.495 -9.286 -3.079 334 HG LEU 41 HG LEU 41 -6.181 -7.657 -4.293 335 HD11 LEU 41 1HD1 LEU 41 -5.896 -6.318 -1.656 336 HD12 LEU 41 2HD1 LEU 41 -6.823 -5.765 -3.055 337 HD13 LEU 41 3HD1 LEU 41 -5.046 -5.856 -3.157 338 HD21 LEU 41 3HD2 LEU 41 -4.982 -8.728 -1.754 339 HD22 LEU 41 1HD2 LEU 41 -4.054 -8.121 -3.125 340 HD23 LEU 41 2HD2 LEU 41 -5.083 -9.536 -3.317 341 HA PRO 42 HA PRO 42 -12.294 -9.636 -2.522 342 HB2 PRO 42 2HB PRO 42 -13.000 -10.638 -4.960 343 HB3 PRO 42 1HB PRO 42 -13.414 -9.001 -4.443 344 HG2 PRO 42 2HG PRO 42 -11.247 -9.917 -6.280 345 HG3 PRO 42 1HG PRO 42 -12.252 -8.462 -6.365 346 HD2 PRO 42 2HD PRO 42 -9.647 -8.494 -5.433 347 HD3 PRO 42 1HD PRO 42 -10.831 -7.282 -4.975 348 H THR 43 H THR 43 -9.576 -10.719 -4.375 349 HA THR 43 HA THR 43 -9.995 -13.516 -3.599 350 HB THR 43 HB THR 43 -8.476 -13.962 -5.542 351 HG1 THR 43 HG1 THR 43 -7.763 -12.337 -6.680 352 HG21 THR 43 3HG2 THR 43 -10.261 -13.498 -7.199 353 HG22 THR 43 1HG2 THR 43 -10.979 -12.410 -5.993 354 HG23 THR 43 2HG2 THR 43 -10.887 -14.137 -5.655 355 H MET 44 H MET 44 -8.871 -11.461 -2.043 356 HA MET 44 HA MET 44 -6.121 -11.040 -1.985 357 HB2 MET 44 2HB MET 44 -6.231 -10.328 0.276 358 HB3 MET 44 1HB MET 44 -7.746 -9.884 -0.473 359 HG2 MET 44 2HG MET 44 -7.235 -12.197 1.261 360 HG3 MET 44 1HG MET 44 -7.982 -10.740 1.826 361 HE1 MET 44 3HE MET 44 -10.040 -12.107 2.806 362 HE2 MET 44 1HE MET 44 -9.322 -13.614 2.239 363 HE3 MET 44 2HE MET 44 -11.008 -13.251 1.875 364 H ASP 45 H ASP 45 -4.758 -12.418 -2.516 365 HA ASP 45 HA ASP 45 -4.379 -14.790 -0.819 366 HB2 ASP 45 2HB ASP 45 -4.531 -15.187 -3.284 367 HB3 ASP 45 1HB ASP 45 -3.180 -14.091 -3.522 368 H LEU 46 H LEU 46 -3.786 -13.426 0.764 369 HA LEU 46 HA LEU 46 -1.332 -11.884 0.464 370 HB2 LEU 46 2HB LEU 46 -1.974 -10.916 2.631 371 HB3 LEU 46 1HB LEU 46 -3.105 -10.631 1.321 372 HG LEU 46 HG LEU 46 -4.365 -12.682 2.342 373 HD11 LEU 46 1HD1 LEU 46 -2.799 -11.803 4.744 374 HD12 LEU 46 2HD1 LEU 46 -2.767 -13.382 3.962 375 HD13 LEU 46 3HD1 LEU 46 -4.232 -12.830 4.774 376 HD21 LEU 46 3HD2 LEU 46 -5.631 -11.190 3.819 377 HD22 LEU 46 1HD2 LEU 46 -5.329 -10.507 2.221 378 HD23 LEU 46 2HD2 LEU 46 -4.381 -9.960 3.597 379 H ASP 47 H ASP 47 -2.235 -14.885 1.623 380 HA ASP 47 HA ASP 47 -0.404 -14.832 3.848 381 HB2 ASP 47 2HB ASP 47 -2.542 -16.109 3.986 382 HB3 ASP 47 1HB ASP 47 -1.921 -17.222 2.779 383 H CYS 48 H CYS 48 -0.173 -15.302 0.683 384 HA CYS 48 HA CYS 48 1.876 -17.306 0.556 385 HB2 CYS 48 2HB CYS 48 0.396 -16.780 -1.383 386 HB3 CYS 48 1HB CYS 48 1.157 -15.198 -1.496 387 HG CYS 48 HG CYS 48 2.892 -18.097 -1.796 388 H SER 49 H SER 49 3.733 -16.938 1.540 389 HA SER 49 HA SER 49 5.133 -14.480 0.977 390 HB2 SER 49 2HB SER 49 5.786 -14.406 3.477 391 HB3 SER 49 1HB SER 49 4.179 -13.838 3.022 392 HG SER 49 HG SER 49 4.020 -16.449 3.457 393 H TYR 50 H TYR 50 6.407 -15.633 -0.340 394 HA TYR 50 HA TYR 50 7.980 -17.852 0.505 395 HB2 TYR 50 2HB TYR 50 9.318 -17.018 -1.644 396 HB3 TYR 50 1HB TYR 50 7.842 -17.991 -1.791 397 HD1 TYR 50 HD1 TYR 50 8.963 -14.404 -1.561 398 HD2 TYR 50 HD2 TYR 50 6.201 -17.176 -3.232 399 HE1 TYR 50 HE1 TYR 50 7.994 -12.614 -2.914 400 HE2 TYR 50 HE2 TYR 50 5.217 -15.375 -4.581 401 HH TYR 50 HH TYR 50 6.715 -12.304 -4.867 402 H GLU 51 H GLU 51 8.313 -14.581 0.676 403 HA GLU 51 HA GLU 51 10.972 -14.751 1.769 404 HB2 GLU 51 2HB GLU 51 9.667 -12.847 -0.123 405 HB3 GLU 51 1HB GLU 51 11.003 -12.410 0.882 406 HG2 GLU 51 2HG GLU 51 11.024 -14.615 -1.184 407 HG3 GLU 51 1HG GLU 51 11.684 -12.999 -1.431 408 HA PRO 52 HA PRO 52 8.970 -12.404 5.088 409 HB2 PRO 52 2HB PRO 52 11.036 -10.696 5.765 410 HB3 PRO 52 1HB PRO 52 10.980 -12.394 6.231 411 HG2 PRO 52 2HG PRO 52 12.442 -11.098 3.977 412 HG3 PRO 52 1HG PRO 52 13.003 -12.335 5.113 413 HD2 PRO 52 2HD PRO 52 12.209 -12.937 2.621 414 HD3 PRO 52 1HD PRO 52 11.930 -14.031 3.988 415 H SER 53 H SER 53 9.780 -9.631 5.554 416 HA SER 53 HA SER 53 7.806 -8.335 3.984 417 HB2 SER 53 2HB SER 53 9.805 -7.139 5.877 418 HB3 SER 53 1HB SER 53 8.195 -6.539 5.472 419 HG SER 53 HG SER 53 8.805 -8.038 7.443 420 H ASN 54 H ASN 54 9.950 -9.222 2.289 421 HA ASN 54 HA ASN 54 11.909 -7.432 1.572 422 HB2 ASN 54 2HB ASN 54 10.300 -9.491 0.223 423 HB3 ASN 54 1HB ASN 54 11.487 -8.629 -0.701 424 HD21 ASN 54 1HD2 ASN 54 12.638 -10.555 -1.065 425 HD22 ASN 54 2HD2 ASN 54 13.473 -11.393 0.185 426 HA PRO 55 HA PRO 55 9.852 -3.990 -0.427 427 HB2 PRO 55 2HB PRO 55 11.867 -4.382 -2.569 428 HB3 PRO 55 1HB PRO 55 11.517 -2.943 -1.609 429 HG2 PRO 55 2HG PRO 55 13.706 -4.468 -1.203 430 HG3 PRO 55 1HG PRO 55 12.896 -3.582 0.095 431 HD2 PRO 55 2HD PRO 55 12.876 -6.536 -0.430 432 HD3 PRO 55 1HD PRO 55 12.652 -5.607 1.067 433 H GLU 56 H GLU 56 10.775 -6.825 -2.307 434 HA GLU 56 HA GLU 56 9.146 -6.262 -4.579 435 HB2 GLU 56 2HB GLU 56 10.286 -8.914 -3.679 436 HB3 GLU 56 1HB GLU 56 9.661 -8.543 -5.271 437 HG2 GLU 56 2HG GLU 56 12.033 -8.584 -5.394 438 HG3 GLU 56 1HG GLU 56 11.517 -6.913 -5.547 439 H VAL 57 H VAL 57 8.895 -8.152 -1.691 440 HA VAL 57 HA VAL 57 6.519 -9.526 -2.317 441 HB VAL 57 HB VAL 57 7.808 -8.934 0.369 442 HG11 VAL 57 1HG1 VAL 57 5.705 -10.973 -0.334 443 HG12 VAL 57 2HG1 VAL 57 5.460 -9.526 0.667 444 HG13 VAL 57 3HG1 VAL 57 6.538 -10.821 1.215 445 HG21 VAL 57 3HG2 VAL 57 8.741 -11.084 0.240 446 HG22 VAL 57 1HG2 VAL 57 9.162 -10.231 -1.244 447 HG23 VAL 57 2HG2 VAL 57 7.875 -11.452 -1.255 448 H ILE 58 H ILE 58 7.278 -6.675 -0.441 449 HA ILE 58 HA ILE 58 4.649 -5.982 0.262 450 HB ILE 58 HB ILE 58 7.076 -4.209 -0.098 451 HG12 ILE 58 2HG1 ILE 58 7.425 -5.885 1.625 452 HG13 ILE 58 1HG1 ILE 58 7.195 -4.303 2.359 453 HG21 ILE 58 1HG2 ILE 58 4.454 -3.578 1.243 454 HG22 ILE 58 2HG2 ILE 58 5.086 -2.842 -0.229 455 HG23 ILE 58 3HG2 ILE 58 5.900 -2.568 1.317 456 HD11 ILE 58 3HD1 ILE 58 6.059 -6.030 3.627 457 HD12 ILE 58 1HD1 ILE 58 5.123 -6.486 2.204 458 HD13 ILE 58 2HD1 ILE 58 4.897 -4.899 2.936 459 H HIS 59 H HIS 59 6.667 -5.080 -2.503 460 HA HIS 59 HA HIS 59 4.888 -3.336 -3.758 461 HB2 HIS 59 2HB HIS 59 7.230 -3.513 -4.475 462 HB3 HIS 59 1HB HIS 59 6.957 -5.156 -5.028 463 HD1 HIS 59 HD1 HIS 59 7.527 -4.739 -7.475 464 HD2 HIS 59 HD2 HIS 59 4.604 -2.156 -6.058 465 HE1 HIS 59 HE1 HIS 59 6.625 -3.557 -9.490 466 HE2 HIS 59 HE2 HIS 59 5.253 -1.730 -8.493 467 H ARG 60 H ARG 60 5.039 -6.860 -3.889 468 HA ARG 60 HA ARG 60 3.200 -7.284 -5.941 469 HB2 ARG 60 2HB ARG 60 4.596 -9.041 -5.067 470 HB3 ARG 60 1HB ARG 60 3.850 -8.898 -3.486 471 HG2 ARG 60 2HG ARG 60 1.788 -9.680 -4.292 472 HG3 ARG 60 1HG ARG 60 2.376 -9.706 -5.968 473 HD2 ARG 60 2HD ARG 60 4.076 -11.368 -5.242 474 HD3 ARG 60 1HD ARG 60 3.306 -11.398 -3.654 475 HE ARG 60 HE ARG 60 1.239 -11.969 -5.077 476 HH11 ARG 60 1HH1 ARG 60 4.527 -13.219 -5.517 477 HH12 ARG 60 2HH1 ARG 60 4.023 -14.630 -6.309 478 HH21 ARG 60 1HH2 ARG 60 0.582 -13.957 -6.150 479 HH22 ARG 60 2HH2 ARG 60 1.772 -15.060 -6.676 480 H GLN 61 H GLN 61 2.766 -6.905 -2.511 481 HA GLN 61 HA GLN 61 -0.010 -7.434 -2.326 482 HB2 GLN 61 2HB GLN 61 1.743 -5.701 -0.604 483 HB3 GLN 61 1HB GLN 61 0.188 -6.383 -0.135 484 HG2 GLN 61 2HG GLN 61 1.017 -8.552 -0.358 485 HG3 GLN 61 1HG GLN 61 2.568 -8.012 -0.953 486 HE21 GLN 61 1HE2 GLN 61 3.760 -8.861 0.660 487 HE22 GLN 61 2HE2 GLN 61 3.713 -8.363 2.318 488 H LEU 62 H LEU 62 1.831 -4.554 -2.522 489 HA LEU 62 HA LEU 62 -0.383 -2.760 -2.562 490 HB2 LEU 62 2HB LEU 62 2.535 -2.401 -3.132 491 HB3 LEU 62 1HB LEU 62 1.418 -1.115 -3.505 492 HG LEU 62 HG LEU 62 2.535 -0.719 -1.363 493 HD11 LEU 62 1HD1 LEU 62 0.612 -0.324 0.050 494 HD12 LEU 62 2HD1 LEU 62 -0.365 -1.365 -0.978 495 HD13 LEU 62 3HD1 LEU 62 0.295 0.139 -1.622 496 HD21 LEU 62 3HD2 LEU 62 2.118 -2.108 0.595 497 HD22 LEU 62 1HD2 LEU 62 2.940 -3.026 -0.668 498 HD23 LEU 62 2HD2 LEU 62 1.212 -3.248 -0.401 499 H ASN 63 H ASN 63 1.351 -4.453 -5.121 500 HA ASN 63 HA ASN 63 0.610 -3.013 -7.348 501 HB2 ASN 63 2HB ASN 63 2.252 -4.927 -7.015 502 HB3 ASN 63 1HB ASN 63 0.848 -5.978 -7.070 503 HD21 ASN 63 1HD2 ASN 63 -0.308 -6.222 -8.994 504 HD22 ASN 63 2HD2 ASN 63 0.395 -5.693 -10.470 505 H ARG 64 H ARG 64 -0.935 -5.506 -5.469 506 HA ARG 64 HA ARG 64 -3.086 -6.180 -7.094 507 HB2 ARG 64 2HB ARG 64 -2.649 -6.231 -4.144 508 HB3 ARG 64 1HB ARG 64 -4.175 -6.733 -4.855 509 HG2 ARG 64 2HG ARG 64 -1.578 -7.917 -5.727 510 HG3 ARG 64 1HG ARG 64 -2.457 -8.551 -4.332 511 HD2 ARG 64 2HD ARG 64 -4.431 -8.767 -5.825 512 HD3 ARG 64 1HD ARG 64 -3.394 -8.345 -7.185 513 HE ARG 64 HE ARG 64 -2.042 -10.334 -6.026 514 HH11 ARG 64 1HH1 ARG 64 -5.402 -10.136 -7.198 515 HH12 ARG 64 2HH1 ARG 64 -5.537 -11.814 -7.444 516 HH21 ARG 64 1HH2 ARG 64 -2.262 -12.613 -6.381 517 HH22 ARG 64 2HH2 ARG 64 -3.728 -13.239 -6.995 518 H LEU 65 H LEU 65 -2.628 -3.481 -4.938 519 HA LEU 65 HA LEU 65 -5.365 -2.649 -4.822 520 HB2 LEU 65 2HB LEU 65 -2.863 -1.059 -4.418 521 HB3 LEU 65 1HB LEU 65 -4.477 -0.590 -3.913 522 HG LEU 65 HG LEU 65 -2.873 -2.895 -2.826 523 HD11 LEU 65 1HD1 LEU 65 -2.788 -1.515 -0.836 524 HD12 LEU 65 2HD1 LEU 65 -3.702 -0.268 -1.695 525 HD13 LEU 65 3HD1 LEU 65 -2.067 -0.677 -2.222 526 HD21 LEU 65 3HD2 LEU 65 -4.668 -3.020 -1.159 527 HD22 LEU 65 1HD2 LEU 65 -5.249 -3.372 -2.791 528 HD23 LEU 65 2HD2 LEU 65 -5.557 -1.793 -2.069 529 H PHE 66 H PHE 66 -2.524 -1.704 -6.657 530 HA PHE 66 HA PHE 66 -3.695 0.285 -8.252 531 HB2 PHE 66 2HB PHE 66 -1.258 -0.050 -8.101 532 HB3 PHE 66 1HB PHE 66 -1.415 -1.625 -8.864 533 HD1 PHE 66 HD2 PHE 66 -1.733 2.008 -9.414 534 HD2 PHE 66 HD1 PHE 66 -1.473 -1.833 -11.227 535 HE1 PHE 66 HE2 PHE 66 -1.415 3.066 -11.601 536 HE2 PHE 66 HE1 PHE 66 -1.154 -0.780 -13.425 537 HZ PHE 66 HZ PHE 66 -1.124 1.674 -13.617 538 H ALA 67 H ALA 67 -3.397 -3.180 -8.571 539 HA ALA 67 HA ALA 67 -4.635 -3.457 -11.068 540 HB1 ALA 67 3HB ALA 67 -3.239 -5.195 -10.080 541 HB2 ALA 67 1HB ALA 67 -4.827 -5.815 -10.528 542 HB3 ALA 67 2HB ALA 67 -4.461 -5.469 -8.837 543 H GLN 68 H GLN 68 -6.070 -2.893 -7.859 544 HA GLN 68 HA GLN 68 -8.641 -3.716 -8.702 545 HB2 GLN 68 2HB GLN 68 -7.616 -2.068 -6.416 546 HB3 GLN 68 1HB GLN 68 -9.304 -2.375 -6.689 547 HG2 GLN 68 2HG GLN 68 -7.261 -4.060 -5.348 548 HG3 GLN 68 1HG GLN 68 -8.934 -3.887 -5.143 549 HE21 GLN 68 1HE2 GLN 68 -6.643 -5.659 -7.020 550 HE22 GLN 68 2HE2 GLN 68 -7.756 -6.871 -7.565 551 H GLY 69 H GLY 69 -6.851 -0.692 -8.145 552 HA2 GLY 69 2HA GLY 69 -8.194 0.863 -10.170 553 HA3 GLY 69 1HA GLY 69 -8.887 1.039 -8.600 554 H MET 70 H MET 70 -7.095 2.605 -10.525 555 HA MET 70 HA MET 70 -5.043 3.422 -8.727 556 HB2 MET 70 2HB MET 70 -4.769 5.419 -10.190 557 HB3 MET 70 1HB MET 70 -4.799 3.946 -11.130 558 HG2 MET 70 2HG MET 70 -6.007 5.540 -12.363 559 HG3 MET 70 1HG MET 70 -7.218 4.489 -11.650 560 HE1 MET 70 3HE MET 70 -8.964 7.998 -11.827 561 HE2 MET 70 1HE MET 70 -9.055 6.299 -12.297 562 HE3 MET 70 2HE MET 70 -7.796 7.335 -12.969 563 H ALA 71 H ALA 71 -8.338 3.987 -9.187 564 HA ALA 71 HA ALA 71 -8.706 6.209 -7.406 565 HB1 ALA 71 3HB ALA 71 -10.374 5.640 -9.085 566 HB2 ALA 71 1HB ALA 71 -11.086 5.475 -7.474 567 HB3 ALA 71 2HB ALA 71 -10.560 4.040 -8.379 568 H THR 72 H THR 72 -8.710 2.716 -7.190 569 HA THR 72 HA THR 72 -9.518 2.416 -4.542 570 HB THR 72 HB THR 72 -7.849 0.700 -6.395 571 HG1 THR 72 HG1 THR 72 -10.397 0.054 -5.545 572 HG21 THR 72 3HG2 THR 72 -8.952 0.026 -3.647 573 HG22 THR 72 1HG2 THR 72 -7.276 -0.050 -4.121 574 HG23 THR 72 2HG2 THR 72 -8.459 -1.213 -4.746 575 H TRP 73 H TRP 73 -6.390 3.093 -5.978 576 HA TRP 73 HA TRP 73 -4.832 2.709 -3.663 577 HB2 TRP 73 2HB TRP 73 -3.992 2.857 -6.051 578 HB3 TRP 73 1HB TRP 73 -4.272 4.586 -5.980 579 HD1 TRP 73 HD1 TRP 73 -2.457 6.041 -4.718 580 HE1 TRP 73 HE1 TRP 73 -0.105 5.561 -3.835 581 HE3 TRP 73 HE3 TRP 73 -2.563 0.953 -4.933 582 HZ2 TRP 73 HZ2 TRP 73 1.504 3.346 -3.321 583 HZ3 TRP 73 HZ3 TRP 73 -0.552 -0.270 -4.238 584 HH2 TRP 73 HH2 TRP 73 1.440 0.910 -3.446 585 H LYS 74 H LYS 74 -6.506 5.607 -4.988 586 HA LYS 74 HA LYS 74 -5.755 7.290 -2.887 587 HB2 LYS 74 2HB LYS 74 -8.213 7.700 -4.554 588 HB3 LYS 74 1HB LYS 74 -7.128 8.917 -3.873 589 HG2 LYS 74 2HG LYS 74 -5.398 7.621 -5.475 590 HG3 LYS 74 1HG LYS 74 -6.879 7.299 -6.346 591 HD2 LYS 74 2HD LYS 74 -5.594 9.947 -5.752 592 HD3 LYS 74 1HD LYS 74 -5.974 9.232 -7.315 593 HE2 LYS 74 2HE LYS 74 -8.399 9.342 -6.522 594 HE3 LYS 74 1HE LYS 74 -7.740 10.421 -5.286 595 HZ1 LYS 74 3HZ LYS 74 -8.485 11.772 -7.113 596 HZ2 LYS 74 1HZ LYS 74 -7.649 10.837 -8.224 597 HZ3 LYS 74 2HZ LYS 74 -6.804 11.813 -7.162 598 H SER 75 H SER 75 -8.479 5.111 -3.078 599 HA SER 75 HA SER 75 -9.651 5.976 -0.747 600 HB2 SER 75 2HB SER 75 -9.375 3.329 -2.117 601 HB3 SER 75 1HB SER 75 -10.576 3.737 -0.901 602 HG SER 75 HG SER 75 -11.372 3.972 -3.050 603 H PHE 76 H PHE 76 -7.058 3.826 -1.574 604 HA PHE 76 HA PHE 76 -6.619 2.619 0.908 605 HB2 PHE 76 2HB PHE 76 -5.814 1.689 -1.200 606 HB3 PHE 76 1HB PHE 76 -4.684 3.012 -1.348 607 HD1 PHE 76 HD2 PHE 76 -5.584 0.214 0.892 608 HD2 PHE 76 HD1 PHE 76 -2.542 2.870 -0.430 609 HE1 PHE 76 HE2 PHE 76 -3.932 -1.050 2.183 610 HE2 PHE 76 HE1 PHE 76 -0.877 1.609 0.864 611 HZ PHE 76 HZ PHE 76 -1.586 -0.380 2.164 612 H ILE 77 H ILE 77 -4.789 5.391 -0.635 613 HA ILE 77 HA ILE 77 -3.013 5.488 1.541 614 HB ILE 77 HB ILE 77 -3.706 7.608 -0.490 615 HG12 ILE 77 2HG1 ILE 77 -2.849 5.519 -1.461 616 HG13 ILE 77 1HG1 ILE 77 -1.719 6.850 -1.671 617 HG21 ILE 77 1HG2 ILE 77 -2.613 8.603 1.465 618 HG22 ILE 77 2HG2 ILE 77 -1.482 8.614 0.104 619 HG23 ILE 77 3HG2 ILE 77 -1.318 7.416 1.379 620 HD11 ILE 77 3HD1 ILE 77 -0.400 6.020 0.154 621 HD12 ILE 77 1HD1 ILE 77 -0.572 4.829 -1.136 622 HD13 ILE 77 2HD1 ILE 77 -1.509 4.651 0.361 623 H ASN 78 H ASN 78 -6.068 6.983 0.961 624 HA ASN 78 HA ASN 78 -6.071 8.883 3.014 625 HB2 ASN 78 2HB ASN 78 -7.753 8.720 1.149 626 HB3 ASN 78 1HB ASN 78 -8.438 7.315 1.950 627 HD21 ASN 78 1HD2 ASN 78 -9.776 7.628 3.713 628 HD22 ASN 78 2HD2 ASN 78 -10.296 9.183 4.223 629 H ASP 79 H ASP 79 -7.002 5.466 2.954 630 HA ASP 79 HA ASP 79 -7.685 5.336 5.732 631 HB2 ASP 79 2HB ASP 79 -7.095 3.156 3.733 632 HB3 ASP 79 1HB ASP 79 -7.498 2.875 5.420 633 H LEU 80 H LEU 80 -4.901 4.527 3.831 634 HA LEU 80 HA LEU 80 -3.228 3.156 5.537 635 HB2 LEU 80 2HB LEU 80 -2.896 3.638 3.136 636 HB3 LEU 80 1HB LEU 80 -2.743 5.286 3.572 637 HG LEU 80 HG LEU 80 -0.629 4.093 2.802 638 HD11 LEU 80 1HD1 LEU 80 -0.485 6.265 3.817 639 HD12 LEU 80 2HD1 LEU 80 0.853 5.243 4.348 640 HD13 LEU 80 3HD1 LEU 80 -0.512 5.546 5.427 641 HD21 LEU 80 3HD2 LEU 80 0.581 2.919 4.518 642 HD22 LEU 80 1HD2 LEU 80 -0.925 2.117 4.019 643 HD23 LEU 80 2HD2 LEU 80 -0.884 3.030 5.535 644 H CYS 81 H CYS 81 -3.357 6.613 5.064 645 HA CYS 81 HA CYS 81 -1.539 7.280 7.142 646 HB2 CYS 81 2HB CYS 81 -1.953 8.758 5.255 647 HB3 CYS 81 1HB CYS 81 -3.627 8.953 5.720 648 HG CYS 81 HG CYS 81 -1.453 9.850 8.077 649 H PHE 82 H PHE 82 -4.969 6.834 7.039 650 HA PHE 82 HA PHE 82 -5.629 8.096 9.527 651 HB2 PHE 82 2HB PHE 82 -7.180 7.850 7.552 652 HB3 PHE 82 1HB PHE 82 -7.213 6.144 7.889 653 HD1 PHE 82 HD1 PHE 82 -7.907 9.386 9.570 654 HD2 PHE 82 HD2 PHE 82 -8.868 5.259 9.207 655 HE1 PHE 82 HE1 PHE 82 -9.812 9.700 11.088 656 HE2 PHE 82 HE2 PHE 82 -10.775 5.564 10.727 657 HZ PHE 82 HZ PHE 82 -11.250 7.788 11.668 658 H GLU 83 H GLU 83 -5.421 4.720 8.456 659 HA GLU 83 HA GLU 83 -6.267 3.725 10.990 660 HB2 GLU 83 2HB GLU 83 -5.025 2.172 8.744 661 HB3 GLU 83 1HB GLU 83 -5.996 1.538 10.062 662 HG2 GLU 83 2HG GLU 83 -7.853 3.064 9.133 663 HG3 GLU 83 1HG GLU 83 -6.838 3.170 7.719 664 H LEU 84 H LEU 84 -3.169 4.278 9.500 665 HA LEU 84 HA LEU 84 -1.804 2.850 11.619 666 HB2 LEU 84 2HB LEU 84 -0.748 4.616 9.406 667 HB3 LEU 84 1HB LEU 84 0.267 3.747 10.539 668 HG LEU 84 HG LEU 84 -1.581 2.502 8.493 669 HD11 LEU 84 1HD1 LEU 84 1.437 2.666 8.565 670 HD12 LEU 84 2HD1 LEU 84 0.377 3.561 7.486 671 HD13 LEU 84 3HD1 LEU 84 0.473 1.812 7.361 672 HD21 LEU 84 3HD2 LEU 84 0.375 1.222 10.407 673 HD22 LEU 84 1HD2 LEU 84 -0.508 0.390 9.127 674 HD23 LEU 84 2HD2 LEU 84 -1.387 1.100 10.476 675 H ASP 85 H ASP 85 -3.215 5.810 11.132 676 HA ASP 85 HA ASP 85 -3.274 7.804 12.082 677 HB2 ASP 85 2HB ASP 85 -4.091 6.456 13.977 678 HB3 ASP 85 1HB ASP 85 -2.447 6.267 14.564 679 H VAL 86 H VAL 86 -1.406 7.943 10.625 680 HA VAL 86 HA VAL 86 0.714 9.296 12.070 681 HB VAL 86 HB VAL 86 2.378 8.477 10.282 682 HG11 VAL 86 1HG1 VAL 86 2.499 7.695 12.574 683 HG12 VAL 86 2HG1 VAL 86 2.867 6.375 11.462 684 HG13 VAL 86 3HG1 VAL 86 1.284 6.466 12.233 685 HG21 VAL 86 3HG2 VAL 86 0.281 6.336 9.914 686 HG22 VAL 86 1HG2 VAL 86 1.910 6.293 9.239 687 HG23 VAL 86 2HG2 VAL 86 0.759 7.522 8.702 688 HA PRO 87 HA PRO 87 -0.853 12.308 9.118 689 HB2 PRO 87 2HB PRO 87 1.169 13.965 10.519 690 HB3 PRO 87 1HB PRO 87 -0.550 14.283 10.259 691 HG2 PRO 87 2HG PRO 87 0.345 13.632 12.663 692 HG3 PRO 87 1HG PRO 87 -1.204 13.008 12.065 693 HD2 PRO 87 2HD PRO 87 1.454 11.636 12.222 694 HD3 PRO 87 1HD PRO 87 -0.167 11.018 12.617 695 H LEU 88 H LEU 88 0.020 11.903 7.165 696 HA LEU 88 HA LEU 88 2.875 11.595 6.912 697 HB2 LEU 88 2HB LEU 88 0.827 11.655 4.698 698 HB3 LEU 88 1HB LEU 88 2.465 11.059 4.599 699 HG LEU 88 HG LEU 88 0.151 9.798 6.054 700 HD11 LEU 88 1HD1 LEU 88 1.793 8.900 3.715 701 HD12 LEU 88 2HD1 LEU 88 0.103 9.431 3.682 702 HD13 LEU 88 3HD1 LEU 88 0.557 7.948 4.528 703 HD21 LEU 88 3HD2 LEU 88 1.624 7.989 6.638 704 HD22 LEU 88 1HD2 LEU 88 2.165 9.490 7.383 705 HD23 LEU 88 2HD2 LEU 88 3.016 8.854 5.965 706 H ASP 89 H ASP 89 0.351 13.857 6.059 707 HA ASP 89 HA ASP 89 0.276 15.941 5.215 708 HB2 ASP 89 2HB ASP 89 3.035 16.042 6.438 709 HB3 ASP 89 1HB ASP 89 2.376 17.418 5.569 710 H MET 90 H MET 90 1.545 13.654 3.813 711 HA MET 90 HA MET 90 2.134 14.989 1.340 712 HB2 MET 90 2HB MET 90 4.297 14.834 2.758 713 HB3 MET 90 1HB MET 90 4.201 13.100 2.475 714 HG2 MET 90 2HG MET 90 4.254 13.476 0.094 715 HG3 MET 90 1HG MET 90 4.330 15.216 0.362 716 HE1 MET 90 3HE MET 90 6.311 15.617 -1.027 717 HE2 MET 90 1HE MET 90 6.298 13.936 -1.541 718 HE3 MET 90 2HE MET 90 7.809 14.693 -1.010 719 H GLU 91 H GLU 91 0.092 13.373 2.370 720 HA GLU 91 HA GLU 91 0.439 10.608 1.712 721 HB2 GLU 91 2HB GLU 91 -1.925 10.361 2.169 722 HB3 GLU 91 1HB GLU 91 -1.191 11.332 3.437 723 HG2 GLU 91 2HG GLU 91 -2.703 12.499 1.120 724 HG3 GLU 91 1HG GLU 91 -3.487 12.023 2.618 725 H ILE 92 H ILE 92 -0.690 13.448 0.186 726 HA ILE 92 HA ILE 92 -2.051 12.202 -1.903 727 HB ILE 92 HB ILE 92 -0.845 14.967 -1.733 728 HG12 ILE 92 2HG1 ILE 92 -2.545 14.618 -0.041 729 HG13 ILE 92 1HG1 ILE 92 -3.122 15.737 -1.267 730 HG21 ILE 92 1HG2 ILE 92 -2.743 13.894 -3.750 731 HG22 ILE 92 2HG2 ILE 92 -1.051 14.397 -3.948 732 HG23 ILE 92 3HG2 ILE 92 -2.285 15.601 -3.544 733 HD11 ILE 92 3HD1 ILE 92 -4.874 14.243 -0.603 734 HD12 ILE 92 1HD1 ILE 92 -3.880 12.833 -0.999 735 HD13 ILE 92 2HD1 ILE 92 -4.407 13.936 -2.275 736 HA PRO 93 HA PRO 93 2.103 12.549 -4.523 737 HB2 PRO 93 2HB PRO 93 3.999 12.382 -2.237 738 HB3 PRO 93 1HB PRO 93 4.170 13.247 -3.769 739 HG2 PRO 93 2HG PRO 93 3.650 14.567 -1.505 740 HG3 PRO 93 1HG PRO 93 2.916 15.054 -3.031 741 HD2 PRO 93 2HD PRO 93 1.641 13.642 -0.744 742 HD3 PRO 93 1HD PRO 93 1.013 14.810 -1.906 743 H LEU 94 H LEU 94 1.601 10.882 -1.487 744 HA LEU 94 HA LEU 94 2.934 8.464 -2.174 745 HB2 LEU 94 2HB LEU 94 1.832 9.507 0.162 746 HB3 LEU 94 1HB LEU 94 0.620 8.398 -0.354 747 HG LEU 94 HG LEU 94 1.833 7.182 1.161 748 HD11 LEU 94 1HD1 LEU 94 1.448 5.957 -0.894 749 HD12 LEU 94 2HD1 LEU 94 2.924 5.415 -0.069 750 HD13 LEU 94 3HD1 LEU 94 3.024 6.501 -1.468 751 HD21 LEU 94 3HD2 LEU 94 4.381 8.078 -0.145 752 HD22 LEU 94 1HD2 LEU 94 4.228 6.960 1.201 753 HD23 LEU 94 2HD2 LEU 94 3.745 8.651 1.405 754 H VAL 95 H VAL 95 -0.281 9.854 -2.615 755 HA VAL 95 HA VAL 95 -1.201 7.310 -3.542 756 HB VAL 95 HB VAL 95 -2.711 8.720 -2.082 757 HG11 VAL 95 1HG1 VAL 95 -2.995 10.424 -4.394 758 HG12 VAL 95 2HG1 VAL 95 -2.847 10.731 -2.573 759 HG13 VAL 95 3HG1 VAL 95 -4.229 9.845 -3.271 760 HG21 VAL 95 3HG2 VAL 95 -4.633 8.404 -3.603 761 HG22 VAL 95 1HG2 VAL 95 -3.755 6.944 -3.033 762 HG23 VAL 95 2HG2 VAL 95 -3.471 7.643 -4.640 763 H SER 96 H SER 96 -0.725 10.403 -4.862 764 HA SER 96 HA SER 96 -1.697 9.565 -7.427 765 HB2 SER 96 2HB SER 96 -1.764 11.897 -6.357 766 HB3 SER 96 1HB SER 96 -0.109 12.052 -6.919 767 HG SER 96 HG SER 96 -2.465 12.081 -8.302 768 H ILE 97 H ILE 97 1.006 8.776 -5.875 769 HA ILE 97 HA ILE 97 3.126 9.046 -7.646 770 HB ILE 97 HB ILE 97 3.345 8.203 -5.302 771 HG12 ILE 97 2HG1 ILE 97 4.509 6.237 -7.295 772 HG13 ILE 97 1HG1 ILE 97 5.209 7.800 -6.908 773 HG21 ILE 97 1HG2 ILE 97 2.922 5.848 -4.776 774 HG22 ILE 97 2HG2 ILE 97 2.211 5.632 -6.375 775 HG23 ILE 97 3HG2 ILE 97 1.445 6.708 -5.214 776 HD11 ILE 97 3HD1 ILE 97 4.860 5.513 -5.010 777 HD12 ILE 97 1HD1 ILE 97 5.519 7.098 -4.599 778 HD13 ILE 97 2HD1 ILE 97 6.371 6.064 -5.748 779 H TRP 98 H TRP 98 0.528 6.585 -7.570 780 HA TRP 98 HA TRP 98 1.299 5.784 -10.285 781 HB2 TRP 98 2HB TRP 98 0.045 4.019 -8.167 782 HB3 TRP 98 1HB TRP 98 0.522 3.549 -9.787 783 HD1 TRP 98 HD1 TRP 98 1.622 3.116 -6.426 784 HE1 TRP 98 HE1 TRP 98 4.142 2.693 -6.239 785 HE3 TRP 98 HE3 TRP 98 3.077 4.613 -11.088 786 HZ2 TRP 98 HZ2 TRP 98 6.441 2.952 -7.812 787 HZ3 TRP 98 HZ3 TRP 98 5.471 4.499 -11.661 788 HH2 TRP 98 HH2 TRP 98 7.113 3.684 -10.056 789 H GLY 99 H GLY 99 -0.656 7.698 -8.876 790 HA2 GLY 99 2HA GLY 99 -3.216 6.536 -9.625 791 HA3 GLY 99 1HA GLY 99 -2.966 8.011 -8.698 792 HA PRO 100 HA PRO 100 -4.099 9.685 -12.764 793 HB2 PRO 100 2HB PRO 100 -4.575 12.137 -11.217 794 HB3 PRO 100 1HB PRO 100 -5.709 11.213 -12.206 795 HG2 PRO 100 2HG PRO 100 -5.891 11.252 -9.525 796 HG3 PRO 100 1HG PRO 100 -6.282 9.803 -10.471 797 HD2 PRO 100 2HD PRO 100 -3.773 10.454 -8.957 798 HD3 PRO 100 1HD PRO 100 -4.710 8.941 -9.008 799 H ARG 101 H ARG 101 -3.098 11.235 -14.114 800 HA ARG 101 HA ARG 101 -0.547 12.177 -13.100 801 HB2 ARG 101 2HB ARG 101 -1.607 11.895 -15.917 802 HB3 ARG 101 1HB ARG 101 -0.037 12.555 -15.507 803 HG2 ARG 101 2HG ARG 101 0.580 10.357 -14.538 804 HG3 ARG 101 1HG ARG 101 -0.986 9.731 -15.068 805 HD2 ARG 101 2HD ARG 101 -0.432 10.289 -17.378 806 HD3 ARG 101 1HD ARG 101 1.125 10.920 -16.858 807 HE ARG 101 HE ARG 101 0.720 8.206 -16.092 808 HH11 ARG 101 1HH1 ARG 101 1.799 10.302 -18.777 809 HH12 ARG 101 2HH1 ARG 101 2.597 9.043 -19.598 810 HH21 ARG 101 1HH2 ARG 101 1.898 6.495 -17.294 811 HH22 ARG 101 2HH2 ARG 101 2.655 6.892 -18.765 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 -7.895 16.197 5.522 2 H2 GLY 1 2H GLY 1 -8.741 15.544 6.784 3 H3 GLY 1 3H GLY 1 -8.174 17.153 6.900 4 HA2 GLY 1 1HA GLY 1 -10.522 17.152 6.442 5 HA3 GLY 1 2HA GLY 1 -9.643 17.718 5.025 6 HA PRO 2 HA PRO 2 -12.226 14.044 3.828 7 HB2 PRO 2 2HB PRO 2 -14.007 15.168 2.215 8 HB3 PRO 2 1HB PRO 2 -14.178 15.269 3.975 9 HG2 PRO 2 2HG PRO 2 -13.171 17.329 2.051 10 HG3 PRO 2 1HG PRO 2 -14.239 17.532 3.448 11 HD2 PRO 2 2HD PRO 2 -11.526 18.045 3.452 12 HD3 PRO 2 1HD PRO 2 -12.491 17.698 4.897 13 H LEU 3 H LEU 3 -10.126 16.096 2.330 14 HA LEU 3 HA LEU 3 -8.901 16.119 0.482 15 HB2 LEU 3 2HB LEU 3 -9.881 13.290 0.212 16 HB3 LEU 3 1HB LEU 3 -8.826 14.014 -0.976 17 HG LEU 3 HG LEU 3 -7.157 14.383 0.890 18 HD11 LEU 3 1HD1 LEU 3 -8.957 12.512 2.402 19 HD12 LEU 3 2HD1 LEU 3 -8.641 14.200 2.796 20 HD13 LEU 3 3HD1 LEU 3 -7.336 13.016 2.881 21 HD21 LEU 3 3HD2 LEU 3 -6.372 12.089 0.834 22 HD22 LEU 3 1HD2 LEU 3 -6.942 12.644 -0.742 23 HD23 LEU 3 2HD2 LEU 3 -7.954 11.570 0.232 24 H GLY 4 H GLY 4 -9.783 17.728 -0.572 25 HA2 GLY 4 2HA GLY 4 -12.136 17.265 -2.220 26 HA3 GLY 4 1HA GLY 4 -11.362 18.821 -1.926 27 H SER 5 H SER 5 -8.792 18.265 -2.589 28 HA SER 5 HA SER 5 -9.011 18.127 -5.441 29 HB2 SER 5 2HB SER 5 -6.561 18.531 -3.712 30 HB3 SER 5 1HB SER 5 -6.734 18.923 -5.426 31 HG SER 5 HG SER 5 -7.925 20.611 -4.975 32 H MET 6 H MET 6 -9.418 15.959 -5.907 33 HA MET 6 HA MET 6 -7.767 13.945 -4.640 34 HB2 MET 6 2HB MET 6 -10.244 13.691 -4.844 35 HB3 MET 6 1HB MET 6 -10.057 13.574 -6.578 36 HG2 MET 6 2HG MET 6 -10.307 11.370 -5.585 37 HG3 MET 6 1HG MET 6 -8.736 11.566 -6.348 38 HE1 MET 6 3HE MET 6 -9.441 11.576 -1.785 39 HE2 MET 6 1HE MET 6 -10.700 11.269 -2.980 40 HE3 MET 6 2HE MET 6 -9.996 12.883 -2.826 41 H ASP 7 H ASP 7 -7.808 15.750 -7.423 42 HA ASP 7 HA ASP 7 -5.901 13.914 -8.822 43 HB2 ASP 7 2HB ASP 7 -7.601 16.162 -9.942 44 HB3 ASP 7 1HB ASP 7 -6.351 15.284 -10.823 45 H ALA 8 H ALA 8 -5.535 15.747 -6.568 46 HA ALA 8 HA ALA 8 -3.631 17.678 -7.533 47 HB1 ALA 8 3HB ALA 8 -4.808 18.046 -5.416 48 HB2 ALA 8 1HB ALA 8 -3.066 17.995 -5.161 49 HB3 ALA 8 2HB ALA 8 -4.059 16.599 -4.740 50 H GLU 9 H GLU 9 -3.651 14.435 -7.205 51 HA GLU 9 HA GLU 9 -1.110 13.800 -6.260 52 HB2 GLU 9 2HB GLU 9 -1.692 11.626 -7.774 53 HB3 GLU 9 1HB GLU 9 -2.312 11.922 -6.156 54 HG2 GLU 9 2HG GLU 9 -4.194 11.261 -7.378 55 HG3 GLU 9 1HG GLU 9 -4.315 13.001 -7.272 56 H SER 10 H SER 10 -2.241 14.232 -9.478 57 HA SER 10 HA SER 10 -0.019 13.858 -11.029 58 HB2 SER 10 2HB SER 10 -2.231 15.855 -11.046 59 HB3 SER 10 1HB SER 10 -1.172 15.633 -12.455 60 HG SER 10 HG SER 10 -2.917 13.734 -11.203 61 H ILE 11 H ILE 11 -0.802 16.458 -8.888 62 HA ILE 11 HA ILE 11 1.081 18.353 -9.884 63 HB ILE 11 HB ILE 11 -0.874 18.289 -7.578 64 HG12 ILE 11 2HG1 ILE 11 -2.315 19.632 -8.769 65 HG13 ILE 11 1HG1 ILE 11 -1.165 20.049 -10.079 66 HG21 ILE 11 1HG2 ILE 11 0.775 20.621 -8.492 67 HG22 ILE 11 2HG2 ILE 11 0.921 19.758 -6.960 68 HG23 ILE 11 3HG2 ILE 11 -0.534 20.693 -7.314 69 HD11 ILE 11 3HD1 ILE 11 -1.603 17.717 -10.784 70 HD12 ILE 11 1HD1 ILE 11 -3.052 18.709 -10.731 71 HD13 ILE 11 2HD1 ILE 11 -2.726 17.530 -9.446 72 H ARG 12 H ARG 12 0.687 16.172 -7.110 73 HA ARG 12 HA ARG 12 2.924 17.255 -5.678 74 HB2 ARG 12 2HB ARG 12 1.219 14.848 -5.184 75 HB3 ARG 12 1HB ARG 12 2.478 15.407 -4.102 76 HG2 ARG 12 2HG ARG 12 -0.042 16.883 -4.853 77 HG3 ARG 12 1HG ARG 12 0.306 16.117 -3.302 78 HD2 ARG 12 2HD ARG 12 2.227 17.677 -3.033 79 HD3 ARG 12 1HD ARG 12 1.715 18.471 -4.527 80 HE ARG 12 HE ARG 12 -0.139 18.247 -2.305 81 HH11 ARG 12 1HH1 ARG 12 1.855 20.300 -4.394 82 HH12 ARG 12 2HH1 ARG 12 1.218 21.767 -3.839 83 HH21 ARG 12 1HH2 ARG 12 -1.031 20.291 -1.507 84 HH22 ARG 12 2HH2 ARG 12 -0.463 21.760 -2.164 85 H LEU 13 H LEU 13 2.340 14.414 -7.665 86 HA LEU 13 HA LEU 13 3.583 12.775 -8.470 87 HB2 LEU 13 2HB LEU 13 5.540 14.862 -8.010 88 HB3 LEU 13 1HB LEU 13 6.036 13.352 -8.818 89 HG LEU 13 HG LEU 13 4.135 15.520 -9.733 90 HD11 LEU 13 1HD1 LEU 13 6.550 14.287 -10.937 91 HD12 LEU 13 2HD1 LEU 13 6.497 15.848 -10.105 92 HD13 LEU 13 3HD1 LEU 13 5.620 15.622 -11.637 93 HD21 LEU 13 3HD2 LEU 13 4.541 12.785 -10.959 94 HD22 LEU 13 1HD2 LEU 13 3.689 14.130 -11.716 95 HD23 LEU 13 2HD2 LEU 13 3.046 13.416 -10.253 96 H ASN 14 H ASN 14 5.983 11.592 -7.977 97 HA ASN 14 HA ASN 14 5.838 11.044 -5.112 98 HB2 ASN 14 2HB ASN 14 6.052 8.647 -5.478 99 HB3 ASN 14 1HB ASN 14 4.647 9.299 -6.316 100 HD21 ASN 14 1HD2 ASN 14 4.537 9.137 -8.515 101 HD22 ASN 14 2HD2 ASN 14 5.694 8.302 -9.485 102 H ASN 15 H ASN 15 7.794 9.267 -4.736 103 HA ASN 15 HA ASN 15 10.280 10.232 -5.854 104 HB2 ASN 15 2HB ASN 15 9.776 11.987 -4.212 105 HB3 ASN 15 1HB ASN 15 9.426 10.787 -2.988 106 HD21 ASN 15 1HD2 ASN 15 10.919 11.655 -1.574 107 HD22 ASN 15 2HD2 ASN 15 12.617 11.524 -1.827 108 H GLU 16 H GLU 16 12.036 8.788 -5.182 109 HA GLU 16 HA GLU 16 11.136 6.134 -4.661 110 HB2 GLU 16 2HB GLU 16 13.957 7.196 -4.731 111 HB3 GLU 16 1HB GLU 16 13.536 5.497 -4.613 112 HG2 GLU 16 2HG GLU 16 12.339 5.699 -6.772 113 HG3 GLU 16 1HG GLU 16 12.937 7.347 -6.902 114 H ASN 17 H ASN 17 12.619 8.575 -2.641 115 HA ASN 17 HA ASN 17 13.153 7.024 -0.322 116 HB2 ASN 17 2HB ASN 17 12.195 9.886 -0.490 117 HB3 ASN 17 1HB ASN 17 12.894 9.148 0.941 118 HD21 ASN 17 1HD2 ASN 17 15.099 8.772 0.990 119 HD22 ASN 17 2HD2 ASN 17 16.189 9.513 -0.119 120 H LEU 18 H LEU 18 10.389 8.533 -1.592 121 HA LEU 18 HA LEU 18 8.556 8.272 0.556 122 HB2 LEU 18 2HB LEU 18 8.513 9.934 -1.237 123 HB3 LEU 18 1HB LEU 18 8.288 8.679 -2.418 124 HG LEU 18 HG LEU 18 6.222 9.240 -0.301 125 HD11 LEU 18 1HD1 LEU 18 6.548 10.441 -3.043 126 HD12 LEU 18 2HD1 LEU 18 6.780 11.303 -1.522 127 HD13 LEU 18 3HD1 LEU 18 5.174 10.690 -1.961 128 HD21 LEU 18 3HD2 LEU 18 4.784 8.338 -2.043 129 HD22 LEU 18 1HD2 LEU 18 6.044 7.204 -1.494 130 HD23 LEU 18 2HD2 LEU 18 6.218 8.055 -3.044 131 H TRP 19 H TRP 19 9.315 6.231 -2.243 132 HA TRP 19 HA TRP 19 7.380 4.252 -1.573 133 HB2 TRP 19 2HB TRP 19 8.259 4.407 -3.877 134 HB3 TRP 19 1HB TRP 19 9.866 4.058 -3.285 135 HD1 TRP 19 HD1 TRP 19 10.468 1.777 -4.247 136 HE1 TRP 19 HE1 TRP 19 9.395 -0.558 -4.312 137 HE3 TRP 19 HE3 TRP 19 5.916 2.858 -2.117 138 HZ2 TRP 19 HZ2 TRP 19 6.979 -1.782 -3.557 139 HZ3 TRP 19 HZ3 TRP 19 4.304 1.035 -1.823 140 HH2 TRP 19 HH2 TRP 19 4.825 -1.235 -2.531 141 H ALA 20 H ALA 20 10.862 4.551 -1.034 142 HA ALA 20 HA ALA 20 11.356 2.140 0.252 143 HB1 ALA 20 3HB ALA 20 13.122 3.679 -0.483 144 HB2 ALA 20 1HB ALA 20 13.331 3.220 1.208 145 HB3 ALA 20 2HB ALA 20 12.671 4.803 0.797 146 H TRP 21 H TRP 21 10.280 5.222 1.577 147 HA TRP 21 HA TRP 21 10.173 4.680 4.269 148 HB2 TRP 21 2HB TRP 21 9.720 6.906 3.648 149 HB3 TRP 21 1HB TRP 21 8.507 6.429 2.471 150 HD1 TRP 21 HD1 TRP 21 6.127 6.934 3.197 151 HE1 TRP 21 HE1 TRP 21 4.869 7.208 5.416 152 HE3 TRP 21 HE3 TRP 21 9.950 5.933 6.429 153 HZ2 TRP 21 HZ2 TRP 21 5.413 7.013 8.179 154 HZ3 TRP 21 HZ3 TRP 21 9.496 5.991 8.848 155 HH2 TRP 21 HH2 TRP 21 7.273 6.523 9.699 156 H LEU 22 H LEU 22 7.641 4.036 1.845 157 HA LEU 22 HA LEU 22 5.923 2.828 3.740 158 HB2 LEU 22 2HB LEU 22 5.935 2.704 0.774 159 HB3 LEU 22 1HB LEU 22 4.843 1.739 1.734 160 HG LEU 22 HG LEU 22 4.866 4.673 1.260 161 HD11 LEU 22 1HD1 LEU 22 2.866 2.501 1.433 162 HD12 LEU 22 2HD1 LEU 22 3.492 3.209 -0.071 163 HD13 LEU 22 3HD1 LEU 22 2.446 4.166 1.010 164 HD21 LEU 22 3HD2 LEU 22 3.274 4.973 3.127 165 HD22 LEU 22 1HD2 LEU 22 4.881 4.544 3.712 166 HD23 LEU 22 2HD2 LEU 22 3.607 3.326 3.664 167 H VAL 23 H VAL 23 8.251 1.461 1.486 168 HA VAL 23 HA VAL 23 7.566 -1.192 1.732 169 HB VAL 23 HB VAL 23 10.335 -0.003 1.443 170 HG11 VAL 23 1HG1 VAL 23 9.424 -2.840 0.984 171 HG12 VAL 23 2HG1 VAL 23 10.488 -2.286 2.278 172 HG13 VAL 23 3HG1 VAL 23 11.025 -2.200 0.597 173 HG21 VAL 23 3HG2 VAL 23 10.050 -0.554 -0.920 174 HG22 VAL 23 1HG2 VAL 23 8.808 0.563 -0.360 175 HG23 VAL 23 2HG2 VAL 23 8.422 -1.144 -0.584 176 H ARG 24 H ARG 24 9.876 0.578 3.731 177 HA ARG 24 HA ARG 24 10.307 -1.726 5.387 178 HB2 ARG 24 2HB ARG 24 11.178 1.132 5.827 179 HB3 ARG 24 1HB ARG 24 11.750 -0.272 6.725 180 HG2 ARG 24 2HG ARG 24 12.713 -1.196 4.688 181 HG3 ARG 24 1HG ARG 24 12.118 0.186 3.775 182 HD2 ARG 24 2HD ARG 24 13.503 1.671 5.167 183 HD3 ARG 24 1HD ARG 24 14.132 0.259 6.016 184 HE ARG 24 HE ARG 24 14.581 -0.235 3.366 185 HH11 ARG 24 1HH1 ARG 24 15.630 2.250 5.700 186 HH12 ARG 24 2HH1 ARG 24 17.025 2.654 4.839 187 HH21 ARG 24 1HH2 ARG 24 16.515 0.339 2.200 188 HH22 ARG 24 2HH2 ARG 24 17.557 1.547 2.803 189 H LEU 25 H LEU 25 8.228 1.048 5.599 190 HA LEU 25 HA LEU 25 7.639 0.705 8.380 191 HB2 LEU 25 2HB LEU 25 7.396 2.804 6.841 192 HB3 LEU 25 1HB LEU 25 5.869 2.106 6.389 193 HG LEU 25 HG LEU 25 5.582 3.877 8.068 194 HD11 LEU 25 1HD1 LEU 25 3.980 2.065 8.067 195 HD12 LEU 25 2HD1 LEU 25 4.224 2.756 9.675 196 HD13 LEU 25 3HD1 LEU 25 4.965 1.206 9.254 197 HD21 LEU 25 3HD2 LEU 25 6.418 3.634 10.324 198 HD22 LEU 25 1HD2 LEU 25 7.743 3.664 9.168 199 HD23 LEU 25 2HD2 LEU 25 7.232 2.134 9.888 200 H LEU 26 H LEU 26 5.952 -0.116 5.341 201 HA LEU 26 HA LEU 26 3.700 -1.371 6.503 202 HB2 LEU 26 2HB LEU 26 4.988 -1.644 3.809 203 HB3 LEU 26 1HB LEU 26 3.412 -2.263 4.254 204 HG LEU 26 HG LEU 26 4.120 0.460 3.360 205 HD11 LEU 26 1HD1 LEU 26 1.761 -1.021 3.955 206 HD12 LEU 26 2HD1 LEU 26 2.599 -1.045 2.369 207 HD13 LEU 26 3HD1 LEU 26 1.752 0.439 2.951 208 HD21 LEU 26 3HD2 LEU 26 2.665 1.681 4.827 209 HD22 LEU 26 1HD2 LEU 26 3.899 0.920 5.822 210 HD23 LEU 26 2HD2 LEU 26 2.274 0.231 5.749 211 H SER 27 H SER 27 6.993 -2.435 5.893 212 HA SER 27 HA SER 27 6.406 -5.199 6.051 213 HB2 SER 27 2HB SER 27 8.932 -3.577 6.315 214 HB3 SER 27 1HB SER 27 8.906 -5.345 6.439 215 HG SER 27 HG SER 27 8.308 -3.659 4.253 216 H LYS 28 H LYS 28 6.387 -2.728 8.328 217 HA LYS 28 HA LYS 28 7.034 -4.486 10.546 218 HB2 LYS 28 2HB LYS 28 6.116 -1.647 10.717 219 HB3 LYS 28 1HB LYS 28 7.019 -2.582 11.906 220 HG2 LYS 28 2HG LYS 28 8.823 -2.735 10.098 221 HG3 LYS 28 1HG LYS 28 7.886 -1.517 9.312 222 HD2 LYS 28 2HD LYS 28 8.000 -0.048 11.222 223 HD3 LYS 28 1HD LYS 28 8.945 -1.279 12.077 224 HE2 LYS 28 2HE LYS 28 10.649 -1.126 10.265 225 HE3 LYS 28 1HE LYS 28 9.714 0.213 9.593 226 HZ1 LYS 28 3HZ LYS 28 11.582 0.922 10.959 227 HZ2 LYS 28 1HZ LYS 28 10.894 0.187 12.305 228 HZ3 LYS 28 2HZ LYS 28 10.110 1.489 11.560 229 H ASN 29 H ASN 29 4.529 -3.538 8.598 230 HA ASN 29 HA ASN 29 2.453 -4.066 10.581 231 HB2 ASN 29 2HB ASN 29 2.567 -1.961 8.493 232 HB3 ASN 29 1HB ASN 29 1.136 -2.252 9.269 233 HD21 ASN 29 1HD2 ASN 29 4.164 -0.749 9.561 234 HD22 ASN 29 2HD2 ASN 29 3.943 -0.008 11.104 235 HA PRO 30 HA PRO 30 1.992 -6.125 6.300 236 HB2 PRO 30 2HB PRO 30 2.440 -8.739 7.468 237 HB3 PRO 30 1HB PRO 30 3.334 -7.977 6.154 238 HG2 PRO 30 2HG PRO 30 4.423 -8.453 8.611 239 HG3 PRO 30 1HG PRO 30 4.937 -7.122 7.566 240 HD2 PRO 30 2HD PRO 30 3.088 -7.055 9.932 241 HD3 PRO 30 1HD PRO 30 4.341 -5.904 9.457 242 H GLU 31 H GLU 31 1.124 -6.670 9.506 243 HA GLU 31 HA GLU 31 -1.155 -8.295 9.087 244 HB2 GLU 31 2HB GLU 31 -0.404 -6.596 11.452 245 HB3 GLU 31 1HB GLU 31 -1.588 -7.886 11.430 246 HG2 GLU 31 2HG GLU 31 1.383 -8.172 11.002 247 HG3 GLU 31 1HG GLU 31 0.493 -8.639 12.452 248 H TRP 32 H TRP 32 -0.521 -4.751 9.458 249 HA TRP 32 HA TRP 32 -3.301 -4.150 9.384 250 HB2 TRP 32 2HB TRP 32 -1.879 -2.462 10.357 251 HB3 TRP 32 1HB TRP 32 -0.812 -2.475 8.953 252 HD1 TRP 32 HD1 TRP 32 -4.233 -1.144 10.072 253 HE1 TRP 32 HE1 TRP 32 -5.002 0.626 8.382 254 HE3 TRP 32 HE3 TRP 32 -0.526 -1.660 6.631 255 HZ2 TRP 32 HZ2 TRP 32 -4.130 1.679 5.853 256 HZ3 TRP 32 HZ3 TRP 32 -0.537 -0.298 4.651 257 HH2 TRP 32 HH2 TRP 32 -2.325 1.393 4.265 258 H LEU 33 H LEU 33 -0.684 -4.316 7.114 259 HA LEU 33 HA LEU 33 -1.945 -3.229 4.892 260 HB2 LEU 33 2HB LEU 33 0.520 -3.707 5.335 261 HB3 LEU 33 1HB LEU 33 0.208 -5.341 4.875 262 HG LEU 33 HG LEU 33 1.281 -3.920 3.095 263 HD11 LEU 33 1HD1 LEU 33 -1.314 -5.269 2.603 264 HD12 LEU 33 2HD1 LEU 33 0.316 -5.871 2.198 265 HD13 LEU 33 3HD1 LEU 33 -0.443 -4.530 1.314 266 HD21 LEU 33 3HD2 LEU 33 -1.434 -2.672 2.954 267 HD22 LEU 33 1HD2 LEU 33 -0.087 -2.390 1.859 268 HD23 LEU 33 2HD2 LEU 33 0.028 -1.887 3.550 269 H SER 34 H SER 34 -1.685 -6.618 5.902 270 HA SER 34 HA SER 34 -3.166 -7.672 3.766 271 HB2 SER 34 2HB SER 34 -3.536 -9.632 5.343 272 HB3 SER 34 1HB SER 34 -1.854 -9.179 5.064 273 HG SER 34 HG SER 34 -1.653 -8.614 7.018 274 H ALA 35 H ALA 35 -4.187 -6.384 6.877 275 HA ALA 35 HA ALA 35 -6.878 -7.147 6.849 276 HB1 ALA 35 3HB ALA 35 -7.209 -5.409 8.506 277 HB2 ALA 35 1HB ALA 35 -5.662 -4.678 8.071 278 HB3 ALA 35 2HB ALA 35 -5.699 -6.273 8.815 279 H LYS 36 H LYS 36 -5.285 -4.255 5.592 280 HA LYS 36 HA LYS 36 -7.710 -3.148 4.607 281 HB2 LYS 36 2HB LYS 36 -4.827 -2.424 4.226 282 HB3 LYS 36 1HB LYS 36 -6.117 -1.601 3.358 283 HG2 LYS 36 2HG LYS 36 -5.722 -1.787 6.309 284 HG3 LYS 36 1HG LYS 36 -5.612 -0.356 5.279 285 HD2 LYS 36 2HD LYS 36 -8.080 -1.034 4.641 286 HD3 LYS 36 1HD LYS 36 -8.028 -1.845 6.211 287 HE2 LYS 36 2HE LYS 36 -7.280 0.282 7.234 288 HE3 LYS 36 1HE LYS 36 -7.355 0.888 5.568 289 HZ1 LYS 36 3HZ LYS 36 -9.365 1.642 6.520 290 HZ2 LYS 36 1HZ LYS 36 -9.719 0.133 7.240 291 HZ3 LYS 36 2HZ LYS 36 -9.748 0.307 5.593 292 H LEU 37 H LEU 37 -4.957 -4.727 2.940 293 HA LEU 37 HA LEU 37 -5.958 -4.568 0.411 294 HB2 LEU 37 2HB LEU 37 -4.031 -6.366 1.729 295 HB3 LEU 37 1HB LEU 37 -4.645 -6.850 0.163 296 HG LEU 37 HG LEU 37 -3.854 -4.685 -0.755 297 HD11 LEU 37 1HD1 LEU 37 -2.782 -4.170 1.926 298 HD12 LEU 37 2HD1 LEU 37 -3.969 -3.250 1.011 299 HD13 LEU 37 3HD1 LEU 37 -2.296 -3.340 0.453 300 HD21 LEU 37 3HD2 LEU 37 -1.491 -5.245 -0.755 301 HD22 LEU 37 1HD2 LEU 37 -2.500 -6.672 -0.989 302 HD23 LEU 37 2HD2 LEU 37 -1.761 -6.365 0.582 303 H ARG 38 H ARG 38 -6.925 -6.856 2.871 304 HA ARG 38 HA ARG 38 -8.212 -8.603 1.044 305 HB2 ARG 38 2HB ARG 38 -9.439 -9.424 2.783 306 HB3 ARG 38 1HB ARG 38 -7.705 -9.346 3.221 307 HG2 ARG 38 2HG ARG 38 -8.258 -7.433 4.588 308 HG3 ARG 38 1HG ARG 38 -9.924 -7.609 3.948 309 HD2 ARG 38 2HD ARG 38 -10.055 -9.819 4.827 310 HD3 ARG 38 1HD ARG 38 -8.413 -9.705 5.444 311 HE ARG 38 HE ARG 38 -9.675 -7.653 6.658 312 HH11 ARG 38 1HH1 ARG 38 -10.375 -11.132 6.449 313 HH12 ARG 38 2HH1 ARG 38 -11.172 -11.207 7.938 314 HH21 ARG 38 1HH2 ARG 38 -10.773 -7.785 8.755 315 HH22 ARG 38 2HH2 ARG 38 -11.412 -9.270 9.273 316 H SER 39 H SER 39 -9.226 -5.716 2.486 317 HA SER 39 HA SER 39 -11.938 -6.083 1.803 318 HB2 SER 39 2HB SER 39 -11.275 -4.517 3.591 319 HB3 SER 39 1HB SER 39 -10.459 -3.523 2.385 320 HG SER 39 HG SER 39 -13.168 -4.098 2.040 321 H PHE 40 H PHE 40 -9.170 -4.772 0.235 322 HA PHE 40 HA PHE 40 -10.551 -3.618 -2.054 323 HB2 PHE 40 2HB PHE 40 -7.652 -4.059 -1.420 324 HB3 PHE 40 1HB PHE 40 -8.247 -3.203 -2.842 325 HD1 PHE 40 HD2 PHE 40 -10.035 -1.409 -2.278 326 HD2 PHE 40 HD1 PHE 40 -7.108 -2.752 0.432 327 HE1 PHE 40 HE2 PHE 40 -10.312 0.690 -0.966 328 HE2 PHE 40 HE1 PHE 40 -7.360 -0.701 1.765 329 HZ PHE 40 HZ PHE 40 -8.960 1.032 1.061 330 H LEU 41 H LEU 41 -8.181 -6.270 -1.663 331 HA LEU 41 HA LEU 41 -8.522 -7.272 -4.293 332 HB2 LEU 41 2HB LEU 41 -7.130 -8.278 -1.826 333 HB3 LEU 41 1HB LEU 41 -7.232 -9.240 -3.275 334 HG LEU 41 HG LEU 41 -5.973 -7.555 -4.497 335 HD11 LEU 41 1HD1 LEU 41 -5.777 -6.184 -1.874 336 HD12 LEU 41 2HD1 LEU 41 -6.679 -5.678 -3.308 337 HD13 LEU 41 3HD1 LEU 41 -4.899 -5.725 -3.361 338 HD21 LEU 41 3HD2 LEU 41 -4.795 -9.398 -3.466 339 HD22 LEU 41 1HD2 LEU 41 -4.683 -8.503 -1.949 340 HD23 LEU 41 2HD2 LEU 41 -3.824 -7.927 -3.374 341 HA PRO 42 HA PRO 42 -12.221 -9.560 -3.221 342 HB2 PRO 42 2HB PRO 42 -12.468 -10.862 -5.616 343 HB3 PRO 42 1HB PRO 42 -12.975 -9.190 -5.357 344 HG2 PRO 42 2HG PRO 42 -10.483 -10.237 -6.630 345 HG3 PRO 42 1HG PRO 42 -11.486 -8.849 -7.084 346 HD2 PRO 42 2HD PRO 42 -9.133 -8.596 -5.725 347 HD3 PRO 42 1HD PRO 42 -10.466 -7.456 -5.543 348 H THR 43 H THR 43 -9.354 -11.087 -4.626 349 HA THR 43 HA THR 43 -10.159 -13.715 -3.706 350 HB THR 43 HB THR 43 -8.040 -14.352 -4.911 351 HG1 THR 43 HG1 THR 43 -6.738 -12.683 -5.187 352 HG21 THR 43 3HG2 THR 43 -8.989 -13.864 -7.149 353 HG22 THR 43 1HG2 THR 43 -10.039 -12.668 -6.384 354 HG23 THR 43 2HG2 THR 43 -10.238 -14.381 -6.003 355 H MET 44 H MET 44 -8.753 -11.070 -2.474 356 HA MET 44 HA MET 44 -7.058 -10.423 -1.195 357 HB2 MET 44 2HB MET 44 -7.713 -12.441 0.886 358 HB3 MET 44 1HB MET 44 -7.537 -10.721 0.776 359 HG2 MET 44 2HG MET 44 -9.630 -10.222 0.024 360 HG3 MET 44 1HG MET 44 -9.987 -11.891 -0.398 361 HE1 MET 44 3HE MET 44 -11.914 -9.917 1.251 362 HE2 MET 44 1HE MET 44 -12.534 -11.040 2.460 363 HE3 MET 44 2HE MET 44 -12.349 -11.562 0.785 364 H ASP 45 H ASP 45 -5.179 -10.891 -2.179 365 HA ASP 45 HA ASP 45 -3.970 -13.423 -1.398 366 HB2 ASP 45 2HB ASP 45 -3.230 -11.518 -3.634 367 HB3 ASP 45 1HB ASP 45 -2.263 -12.917 -3.184 368 H LEU 46 H LEU 46 -3.882 -12.676 0.596 369 HA LEU 46 HA LEU 46 -2.087 -10.484 1.323 370 HB2 LEU 46 2HB LEU 46 -3.474 -12.417 3.138 371 HB3 LEU 46 1HB LEU 46 -3.013 -10.749 3.490 372 HG LEU 46 HG LEU 46 -5.184 -11.798 1.775 373 HD11 LEU 46 1HD1 LEU 46 -6.684 -10.969 3.511 374 HD12 LEU 46 2HD1 LEU 46 -5.320 -10.277 4.383 375 HD13 LEU 46 3HD1 LEU 46 -5.459 -12.029 4.214 376 HD21 LEU 46 3HD2 LEU 46 -5.964 -9.429 1.589 377 HD22 LEU 46 1HD2 LEU 46 -4.391 -9.697 0.837 378 HD23 LEU 46 2HD2 LEU 46 -4.495 -8.916 2.416 379 H ASP 47 H ASP 47 -2.592 -13.830 1.516 380 HA ASP 47 HA ASP 47 -0.345 -14.518 3.152 381 HB2 ASP 47 2HB ASP 47 -2.453 -15.682 3.232 382 HB3 ASP 47 1HB ASP 47 -2.332 -16.114 1.563 383 H CYS 48 H CYS 48 -0.461 -13.501 0.169 384 HA CYS 48 HA CYS 48 1.113 -15.205 -1.417 385 HB2 CYS 48 2HB CYS 48 -0.345 -13.464 -2.312 386 HB3 CYS 48 1HB CYS 48 0.631 -12.227 -1.543 387 HG CYS 48 HG CYS 48 2.197 -14.262 -3.706 388 H SER 49 H SER 49 1.946 -13.179 1.214 389 HA SER 49 HA SER 49 4.590 -12.541 0.390 390 HB2 SER 49 2HB SER 49 3.400 -12.464 3.164 391 HB3 SER 49 1HB SER 49 4.856 -11.632 2.610 392 HG SER 49 HG SER 49 2.661 -10.545 2.675 393 H TYR 50 H TYR 50 4.942 -14.889 -0.204 394 HA TYR 50 HA TYR 50 5.772 -16.528 1.988 395 HB2 TYR 50 2HB TYR 50 6.520 -18.093 0.095 396 HB3 TYR 50 1HB TYR 50 4.797 -17.851 0.335 397 HD1 TYR 50 HD1 TYR 50 7.092 -15.447 -1.500 398 HD2 TYR 50 HD2 TYR 50 4.075 -18.475 -1.823 399 HE1 TYR 50 HE1 TYR 50 6.869 -14.992 -3.848 400 HE2 TYR 50 HE2 TYR 50 3.865 -17.975 -4.216 401 HH TYR 50 HH TYR 50 6.158 -16.203 -5.876 402 H GLU 51 H GLU 51 7.065 -14.154 0.312 403 HA GLU 51 HA GLU 51 9.767 -14.936 0.990 404 HB2 GLU 51 2HB GLU 51 10.204 -12.856 -0.594 405 HB3 GLU 51 1HB GLU 51 9.968 -14.514 -1.236 406 HG2 GLU 51 2HG GLU 51 7.486 -13.702 -1.450 407 HG3 GLU 51 1HG GLU 51 8.187 -12.129 -1.270 408 HA PRO 52 HA PRO 52 10.016 -11.964 4.154 409 HB2 PRO 52 2HB PRO 52 12.338 -10.618 3.679 410 HB3 PRO 52 1HB PRO 52 12.276 -12.261 4.329 411 HG2 PRO 52 2HG PRO 52 12.647 -11.348 1.515 412 HG3 PRO 52 1HG PRO 52 13.589 -12.558 2.415 413 HD2 PRO 52 2HD PRO 52 11.713 -13.350 0.713 414 HD3 PRO 52 1HD PRO 52 11.867 -14.150 2.288 415 H SER 53 H SER 53 10.873 -9.525 4.446 416 HA SER 53 HA SER 53 8.766 -7.986 3.322 417 HB2 SER 53 2HB SER 53 11.077 -7.140 5.051 418 HB3 SER 53 1HB SER 53 9.509 -6.358 4.871 419 HG SER 53 HG SER 53 9.748 -7.685 6.765 420 H ASN 54 H ASN 54 10.641 -8.816 1.256 421 HA ASN 54 HA ASN 54 12.525 -6.779 0.701 422 HB2 ASN 54 2HB ASN 54 11.379 -9.118 -0.623 423 HB3 ASN 54 1HB ASN 54 12.137 -7.928 -1.663 424 HD21 ASN 54 1HD2 ASN 54 13.826 -9.298 -2.220 425 HD22 ASN 54 2HD2 ASN 54 15.016 -9.871 -1.118 426 HA PRO 55 HA PRO 55 10.059 -3.543 -0.934 427 HB2 PRO 55 2HB PRO 55 11.583 -2.829 -3.149 428 HB3 PRO 55 1HB PRO 55 11.860 -2.266 -1.501 429 HG2 PRO 55 2HG PRO 55 13.192 -4.464 -3.008 430 HG3 PRO 55 1HG PRO 55 13.894 -3.302 -1.873 431 HD2 PRO 55 2HD PRO 55 13.403 -5.835 -1.160 432 HD3 PRO 55 1HD PRO 55 13.169 -4.508 -0.009 433 H GLU 56 H GLU 56 11.197 -5.848 -3.358 434 HA GLU 56 HA GLU 56 9.158 -5.134 -5.213 435 HB2 GLU 56 2HB GLU 56 11.101 -7.438 -5.159 436 HB3 GLU 56 1HB GLU 56 10.054 -7.050 -6.521 437 HG2 GLU 56 2HG GLU 56 11.125 -4.945 -6.854 438 HG3 GLU 56 1HG GLU 56 12.028 -5.108 -5.353 439 H VAL 57 H VAL 57 9.444 -7.333 -2.596 440 HA VAL 57 HA VAL 57 7.293 -9.058 -3.254 441 HB VAL 57 HB VAL 57 8.425 -8.304 -0.536 442 HG11 VAL 57 1HG1 VAL 57 6.654 -10.648 -1.297 443 HG12 VAL 57 2HG1 VAL 57 6.171 -9.265 -0.308 444 HG13 VAL 57 3HG1 VAL 57 7.397 -10.395 0.280 445 HG21 VAL 57 3HG2 VAL 57 9.607 -10.414 -0.640 446 HG22 VAL 57 1HG2 VAL 57 10.055 -9.362 -1.995 447 HG23 VAL 57 2HG2 VAL 57 8.938 -10.715 -2.227 448 H ILE 58 H ILE 58 7.712 -6.256 -1.231 449 HA ILE 58 HA ILE 58 5.081 -5.825 -0.431 450 HB ILE 58 HB ILE 58 7.350 -3.864 -0.841 451 HG12 ILE 58 2HG1 ILE 58 7.882 -5.587 0.796 452 HG13 ILE 58 1HG1 ILE 58 7.630 -4.033 1.582 453 HG21 ILE 58 1HG2 ILE 58 4.777 -3.439 0.661 454 HG22 ILE 58 2HG2 ILE 58 5.276 -2.629 -0.824 455 HG23 ILE 58 3HG2 ILE 58 6.161 -2.345 0.676 456 HD11 ILE 58 3HD1 ILE 58 6.656 -5.825 2.884 457 HD12 ILE 58 1HD1 ILE 58 5.650 -6.304 1.514 458 HD13 ILE 58 2HD1 ILE 58 5.409 -4.737 2.287 459 H HIS 59 H HIS 59 6.907 -4.602 -3.178 460 HA HIS 59 HA HIS 59 5.062 -2.871 -4.336 461 HB2 HIS 59 2HB HIS 59 7.486 -3.128 -4.982 462 HB3 HIS 59 1HB HIS 59 7.056 -4.624 -5.777 463 HD1 HIS 59 HD1 HIS 59 7.069 -4.284 -8.197 464 HD2 HIS 59 HD2 HIS 59 5.622 -0.950 -6.212 465 HE1 HIS 59 HE1 HIS 59 6.541 -2.627 -9.980 466 HE2 HIS 59 HE2 HIS 59 5.438 -0.748 -8.795 467 H ARG 60 H ARG 60 5.345 -6.350 -4.757 468 HA ARG 60 HA ARG 60 3.482 -6.755 -6.797 469 HB2 ARG 60 2HB ARG 60 5.054 -8.406 -6.076 470 HB3 ARG 60 1HB ARG 60 4.357 -8.445 -4.476 471 HG2 ARG 60 2HG ARG 60 2.384 -9.454 -5.261 472 HG3 ARG 60 1HG ARG 60 2.901 -9.303 -6.961 473 HD2 ARG 60 2HD ARG 60 4.834 -10.751 -6.445 474 HD3 ARG 60 1HD ARG 60 4.256 -10.919 -4.792 475 HE ARG 60 HE ARG 60 2.217 -11.754 -6.473 476 HH11 ARG 60 1HH1 ARG 60 5.532 -12.701 -5.704 477 HH12 ARG 60 2HH1 ARG 60 5.270 -14.375 -5.926 478 HH21 ARG 60 1HH2 ARG 60 1.855 -14.141 -6.794 479 HH22 ARG 60 2HH2 ARG 60 3.166 -15.193 -6.533 480 H GLN 61 H GLN 61 3.131 -6.562 -3.348 481 HA GLN 61 HA GLN 61 0.394 -7.394 -3.192 482 HB2 GLN 61 2HB GLN 61 1.979 -5.768 -1.227 483 HB3 GLN 61 1HB GLN 61 0.545 -6.738 -0.893 484 HG2 GLN 61 2HG GLN 61 1.698 -8.695 -1.477 485 HG3 GLN 61 1HG GLN 61 3.150 -7.828 -1.894 486 HE21 GLN 61 1HE2 GLN 61 4.452 -8.684 -0.380 487 HE22 GLN 61 2HE2 GLN 61 4.258 -8.496 1.330 488 H LEU 62 H LEU 62 2.073 -4.393 -3.148 489 HA LEU 62 HA LEU 62 -0.318 -2.869 -2.762 490 HB2 LEU 62 2HB LEU 62 2.521 -2.027 -3.277 491 HB3 LEU 62 1HB LEU 62 1.225 -0.855 -3.318 492 HG LEU 62 HG LEU 62 2.349 -0.771 -1.154 493 HD11 LEU 62 1HD1 LEU 62 -0.365 -2.020 -0.848 494 HD12 LEU 62 2HD1 LEU 62 -0.026 -0.314 -1.141 495 HD13 LEU 62 3HD1 LEU 62 0.497 -1.069 0.357 496 HD21 LEU 62 3HD2 LEU 62 2.324 -2.608 0.421 497 HD22 LEU 62 1HD2 LEU 62 3.179 -3.072 -1.049 498 HD23 LEU 62 2HD2 LEU 62 1.533 -3.641 -0.769 499 H ASN 63 H ASN 63 1.488 -3.870 -5.551 500 HA ASN 63 HA ASN 63 0.504 -2.380 -7.613 501 HB2 ASN 63 2HB ASN 63 2.172 -4.236 -7.690 502 HB3 ASN 63 1HB ASN 63 0.838 -5.343 -7.437 503 HD21 ASN 63 1HD2 ASN 63 0.485 -2.524 -9.494 504 HD22 ASN 63 2HD2 ASN 63 0.275 -3.458 -10.909 505 H ARG 64 H ARG 64 -0.861 -5.103 -5.982 506 HA ARG 64 HA ARG 64 -3.114 -5.664 -7.453 507 HB2 ARG 64 2HB ARG 64 -2.563 -5.922 -4.533 508 HB3 ARG 64 1HB ARG 64 -4.085 -6.448 -5.234 509 HG2 ARG 64 2HG ARG 64 -1.445 -7.418 -6.242 510 HG3 ARG 64 1HG ARG 64 -2.302 -8.210 -4.915 511 HD2 ARG 64 2HD ARG 64 -4.242 -8.428 -6.378 512 HD3 ARG 64 1HD ARG 64 -3.317 -7.744 -7.712 513 HE ARG 64 HE ARG 64 -1.842 -9.613 -7.584 514 HH11 ARG 64 1HH1 ARG 64 -5.002 -10.001 -6.034 515 HH12 ARG 64 2HH1 ARG 64 -4.833 -11.684 -5.834 516 HH21 ARG 64 1HH2 ARG 64 -1.675 -11.934 -7.370 517 HH22 ARG 64 2HH2 ARG 64 -2.953 -12.821 -6.693 518 H LEU 65 H LEU 65 -2.658 -3.143 -5.074 519 HA LEU 65 HA LEU 65 -5.426 -2.487 -4.859 520 HB2 LEU 65 2HB LEU 65 -2.957 -0.966 -4.157 521 HB3 LEU 65 1HB LEU 65 -4.591 -0.457 -3.733 522 HG LEU 65 HG LEU 65 -3.215 -2.971 -2.790 523 HD11 LEU 65 1HD1 LEU 65 -3.905 -0.395 -1.459 524 HD12 LEU 65 2HD1 LEU 65 -2.275 -1.042 -1.744 525 HD13 LEU 65 3HD1 LEU 65 -3.371 -1.839 -0.619 526 HD21 LEU 65 3HD2 LEU 65 -5.593 -3.311 -2.979 527 HD22 LEU 65 1HD2 LEU 65 -5.884 -1.788 -2.131 528 HD23 LEU 65 2HD2 LEU 65 -5.130 -3.130 -1.286 529 H PHE 66 H PHE 66 -2.725 -1.288 -6.734 530 HA PHE 66 HA PHE 66 -4.090 0.806 -8.046 531 HB2 PHE 66 2HB PHE 66 -1.660 0.679 -8.148 532 HB3 PHE 66 1HB PHE 66 -1.737 -0.901 -8.910 533 HD1 PHE 66 HD2 PHE 66 -2.686 2.651 -9.457 534 HD2 PHE 66 HD1 PHE 66 -1.666 -1.074 -11.223 535 HE1 PHE 66 HE2 PHE 66 -2.623 3.723 -11.671 536 HE2 PHE 66 HE1 PHE 66 -1.603 -0.013 -13.442 537 HZ PHE 66 HZ PHE 66 -2.082 2.388 -13.667 538 H ALA 67 H ALA 67 -3.669 -2.594 -8.627 539 HA ALA 67 HA ALA 67 -4.947 -2.822 -11.104 540 HB1 ALA 67 3HB ALA 67 -3.521 -4.565 -10.147 541 HB2 ALA 67 1HB ALA 67 -5.108 -5.184 -10.612 542 HB3 ALA 67 2HB ALA 67 -4.746 -4.875 -8.913 543 H GLN 68 H GLN 68 -6.299 -2.593 -7.793 544 HA GLN 68 HA GLN 68 -8.878 -3.363 -8.585 545 HB2 GLN 68 2HB GLN 68 -7.858 -1.708 -6.297 546 HB3 GLN 68 1HB GLN 68 -9.519 -2.175 -6.505 547 HG2 GLN 68 2HG GLN 68 -7.231 -3.697 -5.374 548 HG3 GLN 68 1HG GLN 68 -8.903 -3.669 -4.986 549 HE21 GLN 68 1HE2 GLN 68 -6.611 -5.156 -7.066 550 HE22 GLN 68 2HE2 GLN 68 -7.615 -6.449 -7.599 551 H GLY 69 H GLY 69 -7.251 -0.311 -7.795 552 HA2 GLY 69 2HA GLY 69 -8.706 1.273 -9.763 553 HA3 GLY 69 1HA GLY 69 -9.262 1.366 -8.137 554 H MET 70 H MET 70 -7.590 2.999 -10.140 555 HA MET 70 HA MET 70 -5.479 3.840 -8.455 556 HB2 MET 70 2HB MET 70 -5.335 4.585 -10.715 557 HB3 MET 70 1HB MET 70 -6.999 5.132 -10.725 558 HG2 MET 70 2HG MET 70 -5.310 6.947 -10.763 559 HG3 MET 70 1HG MET 70 -6.470 7.045 -9.449 560 HE1 MET 70 3HE MET 70 -3.261 4.724 -9.691 561 HE2 MET 70 1HE MET 70 -2.071 5.738 -8.877 562 HE3 MET 70 2HE MET 70 -2.724 6.232 -10.441 563 H ALA 71 H ALA 71 -8.849 4.389 -8.728 564 HA ALA 71 HA ALA 71 -9.144 6.491 -6.821 565 HB1 ALA 71 3HB ALA 71 -11.032 4.329 -7.741 566 HB2 ALA 71 1HB ALA 71 -10.929 5.955 -8.398 567 HB3 ALA 71 2HB ALA 71 -11.530 5.709 -6.751 568 H THR 72 H THR 72 -9.127 2.991 -6.707 569 HA THR 72 HA THR 72 -9.688 2.587 -4.027 570 HB THR 72 HB THR 72 -8.084 0.975 -6.036 571 HG1 THR 72 HG1 THR 72 -10.738 0.826 -5.126 572 HG21 THR 72 3HG2 THR 72 -7.482 0.183 -3.775 573 HG22 THR 72 1HG2 THR 72 -8.562 -0.999 -4.502 574 HG23 THR 72 2HG2 THR 72 -9.181 0.112 -3.325 575 H TRP 73 H TRP 73 -6.582 3.149 -5.707 576 HA TRP 73 HA TRP 73 -4.989 2.847 -3.399 577 HB2 TRP 73 2HB TRP 73 -4.131 2.669 -5.758 578 HB3 TRP 73 1HB TRP 73 -4.327 4.406 -5.926 579 HD1 TRP 73 HD1 TRP 73 -2.305 5.872 -5.147 580 HE1 TRP 73 HE1 TRP 73 -0.062 5.424 -4.033 581 HE3 TRP 73 HE3 TRP 73 -2.944 0.995 -4.015 582 HZ2 TRP 73 HZ2 TRP 73 1.293 3.324 -2.862 583 HZ3 TRP 73 HZ3 TRP 73 -1.073 -0.186 -2.913 584 HH2 TRP 73 HH2 TRP 73 0.996 0.978 -2.349 585 H LYS 74 H LYS 74 -6.401 5.765 -4.956 586 HA LYS 74 HA LYS 74 -5.453 7.701 -3.222 587 HB2 LYS 74 2HB LYS 74 -8.236 7.703 -4.459 588 HB3 LYS 74 1HB LYS 74 -7.302 9.105 -3.952 589 HG2 LYS 74 2HG LYS 74 -5.599 8.314 -5.743 590 HG3 LYS 74 1HG LYS 74 -6.905 7.314 -6.270 591 HD2 LYS 74 2HD LYS 74 -8.273 9.174 -6.743 592 HD3 LYS 74 1HD LYS 74 -7.137 10.268 -5.938 593 HE2 LYS 74 2HE LYS 74 -5.409 9.551 -7.516 594 HE3 LYS 74 1HE LYS 74 -6.646 8.635 -8.377 595 HZ1 LYS 74 3HZ LYS 74 -7.749 10.623 -8.993 596 HZ2 LYS 74 1HZ LYS 74 -6.112 10.854 -9.310 597 HZ3 LYS 74 2HZ LYS 74 -6.823 11.565 -7.941 598 H SER 75 H SER 75 -8.233 5.554 -2.773 599 HA SER 75 HA SER 75 -9.096 6.666 -0.386 600 HB2 SER 75 2HB SER 75 -9.347 3.949 -1.636 601 HB3 SER 75 1HB SER 75 -10.350 4.618 -0.355 602 HG SER 75 HG SER 75 -10.163 5.435 -3.073 603 H PHE 76 H PHE 76 -6.983 4.007 -1.298 604 HA PHE 76 HA PHE 76 -6.534 2.856 1.186 605 HB2 PHE 76 2HB PHE 76 -5.958 1.779 -0.914 606 HB3 PHE 76 1HB PHE 76 -4.682 2.932 -1.183 607 HD1 PHE 76 HD2 PHE 76 -5.758 0.326 1.223 608 HD2 PHE 76 HD1 PHE 76 -2.515 2.564 -0.374 609 HE1 PHE 76 HE2 PHE 76 -4.174 -1.103 2.457 610 HE2 PHE 76 HE1 PHE 76 -0.923 1.148 0.858 611 HZ PHE 76 HZ PHE 76 -1.761 -0.712 2.268 612 H ILE 77 H ILE 77 -4.618 5.421 -0.489 613 HA ILE 77 HA ILE 77 -2.684 5.325 1.530 614 HB ILE 77 HB ILE 77 -3.296 7.527 -0.435 615 HG12 ILE 77 2HG1 ILE 77 -2.685 5.353 -1.452 616 HG13 ILE 77 1HG1 ILE 77 -1.464 6.591 -1.726 617 HG21 ILE 77 1HG2 ILE 77 -1.980 8.185 1.615 618 HG22 ILE 77 2HG2 ILE 77 -1.136 8.373 0.080 619 HG23 ILE 77 3HG2 ILE 77 -0.756 7.002 1.121 620 HD11 ILE 77 3HD1 ILE 77 -0.396 4.497 -1.219 621 HD12 ILE 77 1HD1 ILE 77 -1.313 4.349 0.288 622 HD13 ILE 77 2HD1 ILE 77 -0.128 5.636 0.104 623 H ASN 78 H ASN 78 -5.665 7.101 1.270 624 HA ASN 78 HA ASN 78 -5.174 8.811 3.477 625 HB2 ASN 78 2HB ASN 78 -7.044 9.289 1.969 626 HB3 ASN 78 1HB ASN 78 -7.826 7.777 2.407 627 HD21 ASN 78 1HD2 ASN 78 -8.961 7.660 4.350 628 HD22 ASN 78 2HD2 ASN 78 -9.266 9.038 5.337 629 H ASP 79 H ASP 79 -6.512 5.550 3.232 630 HA ASP 79 HA ASP 79 -7.009 5.216 6.003 631 HB2 ASP 79 2HB ASP 79 -6.484 3.208 3.811 632 HB3 ASP 79 1HB ASP 79 -6.627 2.773 5.515 633 H LEU 80 H LEU 80 -4.261 4.566 3.968 634 HA LEU 80 HA LEU 80 -2.460 3.293 5.631 635 HB2 LEU 80 2HB LEU 80 -2.268 3.805 3.208 636 HB3 LEU 80 1HB LEU 80 -2.031 5.444 3.589 637 HG LEU 80 HG LEU 80 0.012 4.459 2.812 638 HD11 LEU 80 1HD1 LEU 80 0.258 5.143 5.714 639 HD12 LEU 80 2HD1 LEU 80 0.359 6.248 4.341 640 HD13 LEU 80 3HD1 LEU 80 1.595 5.011 4.575 641 HD21 LEU 80 3HD2 LEU 80 -0.254 2.635 5.124 642 HD22 LEU 80 1HD2 LEU 80 1.159 2.735 4.048 643 HD23 LEU 80 2HD2 LEU 80 -0.432 2.255 3.406 644 H CYS 81 H CYS 81 -2.767 6.816 5.110 645 HA CYS 81 HA CYS 81 -0.955 7.418 7.155 646 HB2 CYS 81 2HB CYS 81 -1.726 9.737 6.870 647 HB3 CYS 81 1HB CYS 81 -1.237 8.960 5.371 648 HG CYS 81 HG CYS 81 -4.481 8.597 5.646 649 H PHE 82 H PHE 82 -4.423 7.215 7.104 650 HA PHE 82 HA PHE 82 -5.016 8.445 9.573 651 HB2 PHE 82 2HB PHE 82 -6.627 7.782 7.645 652 HB3 PHE 82 1HB PHE 82 -6.539 6.182 8.315 653 HD1 PHE 82 HD1 PHE 82 -7.569 5.605 10.438 654 HD2 PHE 82 HD2 PHE 82 -7.862 9.528 8.822 655 HE1 PHE 82 HE1 PHE 82 -9.411 6.101 11.990 656 HE2 PHE 82 HE2 PHE 82 -9.701 10.035 10.375 657 HZ PHE 82 HZ PHE 82 -10.478 8.319 11.961 658 H GLU 83 H GLU 83 -4.715 5.046 8.674 659 HA GLU 83 HA GLU 83 -5.230 4.057 11.243 660 HB2 GLU 83 2HB GLU 83 -4.308 2.833 8.722 661 HB3 GLU 83 1HB GLU 83 -4.513 1.907 10.204 662 HG2 GLU 83 2HG GLU 83 -6.669 3.597 8.982 663 HG3 GLU 83 1HG GLU 83 -6.430 1.873 8.688 664 H LEU 84 H LEU 84 -2.262 4.590 9.398 665 HA LEU 84 HA LEU 84 -0.746 3.199 11.414 666 HB2 LEU 84 2HB LEU 84 0.192 4.664 8.961 667 HB3 LEU 84 1HB LEU 84 1.229 3.767 10.050 668 HG LEU 84 HG LEU 84 -0.962 2.605 8.328 669 HD11 LEU 84 1HD1 LEU 84 0.884 1.527 7.149 670 HD12 LEU 84 2HD1 LEU 84 2.029 2.400 8.168 671 HD13 LEU 84 3HD1 LEU 84 0.983 3.286 7.063 672 HD21 LEU 84 3HD2 LEU 84 -0.105 0.427 9.078 673 HD22 LEU 84 1HD2 LEU 84 -0.769 1.361 10.416 674 HD23 LEU 84 2HD2 LEU 84 0.977 1.245 10.203 675 H ASP 85 H ASP 85 -1.472 6.556 10.611 676 HA ASP 85 HA ASP 85 -0.161 7.188 13.066 677 HB2 ASP 85 2HB ASP 85 1.621 7.396 11.320 678 HB3 ASP 85 1HB ASP 85 0.677 8.655 10.551 679 H VAL 86 H VAL 86 -0.784 9.720 10.768 680 HA VAL 86 HA VAL 86 -3.374 10.371 11.940 681 HB VAL 86 HB VAL 86 -0.932 12.227 11.840 682 HG11 VAL 86 1HG1 VAL 86 -2.315 13.993 12.774 683 HG12 VAL 86 2HG1 VAL 86 -3.725 12.942 12.706 684 HG13 VAL 86 3HG1 VAL 86 -2.947 13.466 11.211 685 HG21 VAL 86 3HG2 VAL 86 -2.532 11.248 14.201 686 HG22 VAL 86 1HG2 VAL 86 -1.236 12.444 14.277 687 HG23 VAL 86 2HG2 VAL 86 -0.884 10.789 13.783 688 HA PRO 87 HA PRO 87 -4.116 11.553 7.522 689 HB2 PRO 87 2HB PRO 87 -5.348 13.948 8.862 690 HB3 PRO 87 1HB PRO 87 -5.979 12.980 7.525 691 HG2 PRO 87 2HG PRO 87 -6.969 12.655 9.948 692 HG3 PRO 87 1HG PRO 87 -6.653 11.249 8.916 693 HD2 PRO 87 2HD PRO 87 -5.130 12.241 11.278 694 HD3 PRO 87 1HD PRO 87 -5.396 10.576 10.728 695 H LEU 88 H LEU 88 -2.249 12.242 6.665 696 HA LEU 88 HA LEU 88 -0.642 14.221 8.074 697 HB2 LEU 88 2HB LEU 88 0.053 12.481 5.732 698 HB3 LEU 88 1HB LEU 88 1.167 13.523 6.584 699 HG LEU 88 HG LEU 88 -0.246 11.139 7.777 700 HD11 LEU 88 1HD1 LEU 88 2.613 11.477 6.895 701 HD12 LEU 88 2HD1 LEU 88 1.385 10.481 6.111 702 HD13 LEU 88 3HD1 LEU 88 1.941 10.075 7.733 703 HD21 LEU 88 3HD2 LEU 88 0.240 12.846 9.447 704 HD22 LEU 88 1HD2 LEU 88 1.918 12.922 8.905 705 HD23 LEU 88 2HD2 LEU 88 1.294 11.451 9.653 706 H ASP 89 H ASP 89 -2.576 14.116 5.197 707 HA ASP 89 HA ASP 89 -2.867 15.429 3.435 708 HB2 ASP 89 2HB ASP 89 -3.088 17.301 5.107 709 HB3 ASP 89 1HB ASP 89 -1.357 17.578 4.981 710 H MET 90 H MET 90 -0.482 13.935 4.044 711 HA MET 90 HA MET 90 1.147 14.765 1.737 712 HB2 MET 90 2HB MET 90 1.997 13.178 4.174 713 HB3 MET 90 1HB MET 90 2.997 13.429 2.755 714 HG2 MET 90 2HG MET 90 2.960 15.856 3.203 715 HG3 MET 90 1HG MET 90 2.019 15.541 4.659 716 HE1 MET 90 3HE MET 90 5.595 16.495 6.015 717 HE2 MET 90 1HE MET 90 3.883 16.907 6.032 718 HE3 MET 90 2HE MET 90 4.829 17.133 4.560 719 H GLU 91 H GLU 91 -1.318 13.057 2.361 720 HA GLU 91 HA GLU 91 -0.524 10.394 1.742 721 HB2 GLU 91 2HB GLU 91 -2.925 9.884 1.533 722 HB3 GLU 91 1HB GLU 91 -2.538 10.661 3.067 723 HG2 GLU 91 2HG GLU 91 -3.859 11.938 0.669 724 HG3 GLU 91 1HG GLU 91 -4.689 11.338 2.102 725 H ILE 92 H ILE 92 -1.620 13.083 -0.042 726 HA ILE 92 HA ILE 92 -2.247 11.737 -2.429 727 HB ILE 92 HB ILE 92 -1.499 14.614 -1.845 728 HG12 ILE 92 2HG1 ILE 92 -3.625 13.901 -0.888 729 HG13 ILE 92 1HG1 ILE 92 -3.880 15.079 -2.167 730 HG21 ILE 92 1HG2 ILE 92 -2.477 13.512 -4.434 731 HG22 ILE 92 2HG2 ILE 92 -0.873 14.167 -4.068 732 HG23 ILE 92 3HG2 ILE 92 -2.289 15.229 -4.031 733 HD11 ILE 92 3HD1 ILE 92 -5.542 13.342 -2.295 734 HD12 ILE 92 1HD1 ILE 92 -4.287 12.100 -2.360 735 HD13 ILE 92 2HD1 ILE 92 -4.465 13.239 -3.691 736 HA PRO 93 HA PRO 93 2.530 12.607 -3.754 737 HB2 PRO 93 2HB PRO 93 3.349 12.075 -0.933 738 HB3 PRO 93 1HB PRO 93 4.230 12.955 -2.180 739 HG2 PRO 93 2HG PRO 93 2.910 14.311 -0.304 740 HG3 PRO 93 1HG PRO 93 2.771 14.845 -1.986 741 HD2 PRO 93 2HD PRO 93 0.786 13.414 -0.318 742 HD3 PRO 93 1HD PRO 93 0.557 14.599 -1.613 743 H LEU 94 H LEU 94 1.446 10.570 -1.067 744 HA LEU 94 HA LEU 94 2.925 8.246 -1.841 745 HB2 LEU 94 2HB LEU 94 0.801 8.810 0.160 746 HB3 LEU 94 1HB LEU 94 1.158 7.150 -0.251 747 HG LEU 94 HG LEU 94 2.182 7.837 1.817 748 HD11 LEU 94 1HD1 LEU 94 3.247 6.143 0.539 749 HD12 LEU 94 2HD1 LEU 94 4.459 7.112 1.384 750 HD13 LEU 94 3HD1 LEU 94 4.190 7.341 -0.348 751 HD21 LEU 94 3HD2 LEU 94 2.529 10.216 1.394 752 HD22 LEU 94 1HD2 LEU 94 3.756 9.830 0.188 753 HD23 LEU 94 2HD2 LEU 94 4.037 9.447 1.888 754 H VAL 95 H VAL 95 -0.319 9.391 -2.464 755 HA VAL 95 HA VAL 95 -0.954 6.922 -3.745 756 HB VAL 95 HB VAL 95 -2.798 8.138 -2.723 757 HG11 VAL 95 1HG1 VAL 95 -2.286 10.409 -4.334 758 HG12 VAL 95 2HG1 VAL 95 -2.507 10.005 -2.548 759 HG13 VAL 95 3HG1 VAL 95 -3.850 9.809 -3.680 760 HG21 VAL 95 3HG2 VAL 95 -3.710 6.798 -4.353 761 HG22 VAL 95 1HG2 VAL 95 -3.009 7.848 -5.640 762 HG23 VAL 95 2HG2 VAL 95 -4.273 8.456 -4.584 763 H SER 96 H SER 96 0.181 9.798 -4.648 764 HA SER 96 HA SER 96 -0.008 9.523 -7.476 765 HB2 SER 96 2HB SER 96 0.371 11.635 -6.287 766 HB3 SER 96 1HB SER 96 2.015 11.137 -5.939 767 HG SER 96 HG SER 96 1.202 12.395 -8.076 768 H ILE 97 H ILE 97 1.613 7.632 -5.465 769 HA ILE 97 HA ILE 97 4.222 7.445 -6.526 770 HB ILE 97 HB ILE 97 3.434 6.552 -4.263 771 HG12 ILE 97 2HG1 ILE 97 5.037 4.634 -5.920 772 HG13 ILE 97 1HG1 ILE 97 5.671 6.170 -5.333 773 HG21 ILE 97 1HG2 ILE 97 2.640 4.192 -5.981 774 HG22 ILE 97 2HG2 ILE 97 1.547 5.210 -5.043 775 HG23 ILE 97 3HG2 ILE 97 2.732 4.194 -4.220 776 HD11 ILE 97 3HD1 ILE 97 6.297 4.278 -3.924 777 HD12 ILE 97 1HD1 ILE 97 4.593 3.973 -3.604 778 HD13 ILE 97 2HD1 ILE 97 5.338 5.486 -3.063 779 H TRP 98 H TRP 98 1.229 6.030 -7.543 780 HA TRP 98 HA TRP 98 2.663 4.615 -9.640 781 HB2 TRP 98 2HB TRP 98 -0.331 4.882 -9.270 782 HB3 TRP 98 1HB TRP 98 0.487 3.763 -10.337 783 HD1 TRP 98 HD1 TRP 98 -1.545 3.421 -7.631 784 HE1 TRP 98 HE1 TRP 98 -0.939 1.529 -6.030 785 HE3 TRP 98 HE3 TRP 98 3.357 2.710 -8.961 786 HZ2 TRP 98 HZ2 TRP 98 1.272 -0.041 -5.372 787 HZ3 TRP 98 HZ3 TRP 98 4.638 0.985 -7.758 788 HH2 TRP 98 HH2 TRP 98 3.609 -0.356 -6.004 789 H GLY 99 H GLY 99 3.479 6.099 -10.836 790 HA2 GLY 99 2HA GLY 99 3.070 8.714 -11.150 791 HA3 GLY 99 1HA GLY 99 3.666 7.714 -12.441 792 HA PRO 100 HA PRO 100 -0.640 9.119 -13.646 793 HB2 PRO 100 2HB PRO 100 -1.741 11.129 -12.216 794 HB3 PRO 100 1HB PRO 100 -1.839 9.456 -11.661 795 HG2 PRO 100 2HG PRO 100 -0.272 11.678 -10.552 796 HG3 PRO 100 1HG PRO 100 -0.694 10.128 -9.815 797 HD2 PRO 100 2HD PRO 100 1.788 10.908 -11.138 798 HD3 PRO 100 1HD PRO 100 1.429 9.447 -10.193 799 H ARG 101 H ARG 101 1.930 10.119 -14.160 800 HA ARG 101 HA ARG 101 1.388 12.775 -15.226 801 HB2 ARG 101 2HB ARG 101 2.917 13.000 -13.376 802 HB3 ARG 101 1HB ARG 101 3.912 11.685 -13.986 803 HG2 ARG 101 2HG ARG 101 4.441 12.993 -15.931 804 HG3 ARG 101 1HG ARG 101 3.481 14.339 -15.305 805 HD2 ARG 101 2HD ARG 101 5.884 14.671 -14.849 806 HD3 ARG 101 1HD ARG 101 4.952 14.487 -13.362 807 HE ARG 101 HE ARG 101 5.729 12.007 -13.665 808 HH11 ARG 101 1HH1 ARG 101 7.725 14.907 -14.187 809 HH12 ARG 101 2HH1 ARG 101 9.166 14.103 -13.789 810 HH21 ARG 101 1HH2 ARG 101 7.691 10.982 -13.091 811 HH22 ARG 101 2HH2 ARG 101 9.154 11.851 -13.112 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 -11.224 9.104 5.782 2 H2 GLY 1 2H GLY 1 -9.730 8.949 6.544 3 H3 GLY 1 3H GLY 1 -9.834 9.573 4.985 4 HA2 GLY 1 1HA GLY 1 -10.994 10.876 7.360 5 HA3 GLY 1 2HA GLY 1 -9.486 11.338 6.585 6 HA PRO 2 HA PRO 2 -13.596 13.008 4.568 7 HB2 PRO 2 2HB PRO 2 -13.617 15.537 5.623 8 HB3 PRO 2 1HB PRO 2 -14.510 14.177 6.307 9 HG2 PRO 2 2HG PRO 2 -11.862 15.306 7.124 10 HG3 PRO 2 1HG PRO 2 -13.210 14.762 8.140 11 HD2 PRO 2 2HD PRO 2 -11.039 13.232 7.743 12 HD3 PRO 2 1HD PRO 2 -12.663 12.527 7.890 13 H LEU 3 H LEU 3 -10.529 14.707 5.195 14 HA LEU 3 HA LEU 3 -10.993 16.220 2.813 15 HB2 LEU 3 2HB LEU 3 -8.875 17.427 3.393 16 HB3 LEU 3 1HB LEU 3 -10.270 17.646 4.416 17 HG LEU 3 HG LEU 3 -9.103 15.852 5.898 18 HD11 LEU 3 1HD1 LEU 3 -6.758 16.944 4.348 19 HD12 LEU 3 2HD1 LEU 3 -7.327 15.276 4.345 20 HD13 LEU 3 3HD1 LEU 3 -6.669 15.977 5.823 21 HD21 LEU 3 3HD2 LEU 3 -8.017 17.690 7.071 22 HD22 LEU 3 1HD2 LEU 3 -9.632 18.067 6.435 23 HD23 LEU 3 2HD2 LEU 3 -8.210 18.670 5.586 24 H GLY 4 H GLY 4 -9.812 16.221 0.953 25 HA2 GLY 4 2HA GLY 4 -7.783 14.120 0.698 26 HA3 GLY 4 1HA GLY 4 -9.155 14.175 -0.404 27 H SER 5 H SER 5 -9.452 16.081 -1.676 28 HA SER 5 HA SER 5 -8.770 17.467 -3.267 29 HB2 SER 5 2HB SER 5 -6.641 18.232 -1.273 30 HB3 SER 5 1HB SER 5 -7.026 19.157 -2.724 31 HG SER 5 HG SER 5 -9.303 18.853 -1.659 32 H MET 6 H MET 6 -8.279 15.962 -4.731 33 HA MET 6 HA MET 6 -5.847 14.523 -4.502 34 HB2 MET 6 2HB MET 6 -8.094 14.255 -6.484 35 HB3 MET 6 1HB MET 6 -6.626 13.303 -6.575 36 HG2 MET 6 2HG MET 6 -8.316 11.986 -5.534 37 HG3 MET 6 1HG MET 6 -7.127 12.407 -4.312 38 HE1 MET 6 3HE MET 6 -9.927 11.202 -3.565 39 HE2 MET 6 1HE MET 6 -10.424 12.248 -2.234 40 HE3 MET 6 2HE MET 6 -8.749 11.713 -2.357 41 H ASP 7 H ASP 7 -6.267 17.478 -5.692 42 HA ASP 7 HA ASP 7 -4.335 16.955 -7.857 43 HB2 ASP 7 2HB ASP 7 -6.097 19.360 -7.423 44 HB3 ASP 7 1HB ASP 7 -4.789 19.239 -8.600 45 H ALA 8 H ALA 8 -3.940 17.224 -4.907 46 HA ALA 8 HA ALA 8 -2.228 19.557 -4.583 47 HB1 ALA 8 3HB ALA 8 -3.368 18.521 -2.659 48 HB2 ALA 8 1HB ALA 8 -1.616 18.518 -2.459 49 HB3 ALA 8 2HB ALA 8 -2.452 17.037 -2.924 50 H GLU 9 H GLU 9 -1.959 16.625 -6.050 51 HA GLU 9 HA GLU 9 0.744 16.020 -5.590 52 HB2 GLU 9 2HB GLU 9 0.435 14.667 -7.754 53 HB3 GLU 9 1HB GLU 9 -0.404 14.176 -6.297 54 HG2 GLU 9 2HG GLU 9 -2.010 13.980 -8.003 55 HG3 GLU 9 1HG GLU 9 -2.378 15.491 -7.207 56 H SER 10 H SER 10 -0.801 18.020 -7.954 57 HA SER 10 HA SER 10 1.299 18.348 -9.742 58 HB2 SER 10 2HB SER 10 -1.108 19.118 -9.986 59 HB3 SER 10 1HB SER 10 -0.694 20.452 -8.904 60 HG SER 10 HG SER 10 0.719 19.917 -11.274 61 H ILE 11 H ILE 11 0.549 19.919 -6.732 62 HA ILE 11 HA ILE 11 2.661 21.802 -6.884 63 HB ILE 11 HB ILE 11 0.811 21.156 -4.604 64 HG12 ILE 11 2HG1 ILE 11 -0.236 23.344 -5.909 65 HG13 ILE 11 1HG1 ILE 11 0.319 22.338 -7.218 66 HG21 ILE 11 1HG2 ILE 11 2.717 22.626 -4.065 67 HG22 ILE 11 2HG2 ILE 11 1.199 23.528 -4.047 68 HG23 ILE 11 3HG2 ILE 11 2.294 23.671 -5.422 69 HD11 ILE 11 3HD1 ILE 11 -1.589 21.532 -5.053 70 HD12 ILE 11 1HD1 ILE 11 -1.027 20.475 -6.349 71 HD13 ILE 11 2HD1 ILE 11 -1.975 21.894 -6.733 72 H ARG 12 H ARG 12 1.906 18.893 -4.972 73 HA ARG 12 HA ARG 12 4.250 19.220 -3.345 74 HB2 ARG 12 2HB ARG 12 2.215 17.043 -3.536 75 HB3 ARG 12 1HB ARG 12 3.527 17.065 -2.372 76 HG2 ARG 12 2HG ARG 12 1.295 19.098 -2.548 77 HG3 ARG 12 1HG ARG 12 1.364 17.759 -1.405 78 HD2 ARG 12 2HD ARG 12 3.632 18.763 -0.721 79 HD3 ARG 12 1HD ARG 12 3.071 20.217 -1.545 80 HE ARG 12 HE ARG 12 1.137 20.177 0.001 81 HH11 ARG 12 1HH1 ARG 12 4.253 18.821 0.909 82 HH12 ARG 12 2HH1 ARG 12 3.895 18.651 2.566 83 HH21 ARG 12 1HH2 ARG 12 0.668 20.081 2.374 84 HH22 ARG 12 2HH2 ARG 12 1.846 19.390 3.408 85 H LEU 13 H LEU 13 3.419 17.335 -6.208 86 HA LEU 13 HA LEU 13 4.385 15.962 -7.534 87 HB2 LEU 13 2HB LEU 13 6.658 17.301 -6.351 88 HB3 LEU 13 1HB LEU 13 7.010 15.996 -7.504 89 HG LEU 13 HG LEU 13 7.187 17.943 -8.769 90 HD11 LEU 13 1HD1 LEU 13 4.296 17.232 -9.123 91 HD12 LEU 13 2HD1 LEU 13 5.674 16.430 -9.869 92 HD13 LEU 13 3HD1 LEU 13 5.313 18.109 -10.265 93 HD21 LEU 13 3HD2 LEU 13 5.694 19.883 -8.618 94 HD22 LEU 13 1HD2 LEU 13 6.491 19.530 -7.085 95 HD23 LEU 13 2HD2 LEU 13 4.803 19.081 -7.326 96 H ASN 14 H ASN 14 4.660 13.883 -7.762 97 HA ASN 14 HA ASN 14 5.075 12.249 -5.456 98 HB2 ASN 14 2HB ASN 14 4.768 10.314 -6.875 99 HB3 ASN 14 1HB ASN 14 3.611 11.520 -7.403 100 HD21 ASN 14 1HD2 ASN 14 6.400 9.637 -8.251 101 HD22 ASN 14 2HD2 ASN 14 6.449 10.074 -9.905 102 H ASN 15 H ASN 15 6.772 10.592 -5.302 103 HA ASN 15 HA ASN 15 9.294 11.174 -6.545 104 HB2 ASN 15 2HB ASN 15 9.088 12.987 -4.838 105 HB3 ASN 15 1HB ASN 15 8.817 11.783 -3.598 106 HD21 ASN 15 1HD2 ASN 15 10.829 13.853 -3.723 107 HD22 ASN 15 2HD2 ASN 15 12.358 13.058 -3.656 108 H GLU 16 H GLU 16 10.626 9.411 -6.295 109 HA GLU 16 HA GLU 16 9.713 6.884 -5.642 110 HB2 GLU 16 2HB GLU 16 12.545 7.929 -5.631 111 HB3 GLU 16 1HB GLU 16 12.119 6.227 -5.569 112 HG2 GLU 16 2HG GLU 16 11.029 6.430 -7.754 113 HG3 GLU 16 1HG GLU 16 11.484 8.131 -7.809 114 H ASN 17 H ASN 17 11.053 9.319 -3.592 115 HA ASN 17 HA ASN 17 11.838 7.986 -1.222 116 HB2 ASN 17 2HB ASN 17 11.841 10.563 -1.830 117 HB3 ASN 17 1HB ASN 17 10.222 10.482 -1.240 118 HD21 ASN 17 1HD2 ASN 17 9.744 10.263 0.897 119 HD22 ASN 17 2HD2 ASN 17 10.938 10.231 2.129 120 H LEU 18 H LEU 18 8.722 8.953 -2.397 121 HA LEU 18 HA LEU 18 7.336 8.494 0.025 122 HB2 LEU 18 2HB LEU 18 6.336 8.767 -2.793 123 HB3 LEU 18 1HB LEU 18 5.380 8.941 -1.328 124 HG LEU 18 HG LEU 18 7.723 10.723 -1.955 125 HD11 LEU 18 1HD1 LEU 18 4.813 11.163 -2.538 126 HD12 LEU 18 2HD1 LEU 18 6.157 10.989 -3.692 127 HD13 LEU 18 3HD1 LEU 18 6.101 12.379 -2.616 128 HD21 LEU 18 3HD2 LEU 18 6.667 12.204 -0.341 129 HD22 LEU 18 1HD2 LEU 18 7.072 10.651 0.400 130 HD23 LEU 18 2HD2 LEU 18 5.401 11.017 -0.068 131 H TRP 19 H TRP 19 7.929 6.633 -2.913 132 HA TRP 19 HA TRP 19 6.201 4.495 -2.202 133 HB2 TRP 19 2HB TRP 19 6.893 4.812 -4.546 134 HB3 TRP 19 1HB TRP 19 8.569 4.518 -4.102 135 HD1 TRP 19 HD1 TRP 19 9.360 2.016 -3.938 136 HE1 TRP 19 HE1 TRP 19 8.262 -0.248 -4.477 137 HE3 TRP 19 HE3 TRP 19 4.506 3.553 -4.452 138 HZ2 TRP 19 HZ2 TRP 19 5.688 -1.249 -5.032 139 HZ3 TRP 19 HZ3 TRP 19 2.799 1.875 -4.993 140 HH2 TRP 19 HH2 TRP 19 3.378 -0.473 -5.274 141 H ALA 20 H ALA 20 9.655 5.121 -1.789 142 HA ALA 20 HA ALA 20 10.321 2.681 -0.557 143 HB1 ALA 20 3HB ALA 20 12.014 4.280 -1.354 144 HB2 ALA 20 1HB ALA 20 12.278 3.808 0.325 145 HB3 ALA 20 2HB ALA 20 11.571 5.384 -0.047 146 H TRP 21 H TRP 21 9.384 5.785 0.872 147 HA TRP 21 HA TRP 21 9.275 5.065 3.535 148 HB2 TRP 21 2HB TRP 21 8.933 7.332 3.325 149 HB3 TRP 21 1HB TRP 21 8.016 7.157 1.838 150 HD1 TRP 21 HD1 TRP 21 5.463 7.369 1.999 151 HE1 TRP 21 HE1 TRP 21 3.763 7.618 3.880 152 HE3 TRP 21 HE3 TRP 21 8.567 6.620 6.006 153 HZ2 TRP 21 HZ2 TRP 21 3.701 7.519 6.678 154 HZ3 TRP 21 HZ3 TRP 21 7.595 6.724 8.263 155 HH2 TRP 21 HH2 TRP 21 5.215 7.170 8.599 156 H LEU 22 H LEU 22 6.715 4.827 1.096 157 HA LEU 22 HA LEU 22 4.709 3.825 2.756 158 HB2 LEU 22 2HB LEU 22 4.450 4.814 0.455 159 HB3 LEU 22 1HB LEU 22 5.122 3.354 -0.212 160 HG LEU 22 HG LEU 22 2.649 3.600 -0.456 161 HD11 LEU 22 1HD1 LEU 22 3.548 1.193 1.096 162 HD12 LEU 22 2HD1 LEU 22 3.600 1.411 -0.655 163 HD13 LEU 22 3HD1 LEU 22 2.048 1.322 0.178 164 HD21 LEU 22 3HD2 LEU 22 1.207 3.192 1.473 165 HD22 LEU 22 1HD2 LEU 22 2.161 4.659 1.675 166 HD23 LEU 22 2HD2 LEU 22 2.618 3.185 2.530 167 H VAL 23 H VAL 23 6.946 2.123 0.591 168 HA VAL 23 HA VAL 23 6.121 -0.449 1.172 169 HB VAL 23 HB VAL 23 8.761 0.628 0.170 170 HG11 VAL 23 1HG1 VAL 23 9.419 -1.656 -0.391 171 HG12 VAL 23 2HG1 VAL 23 8.003 -2.291 0.460 172 HG13 VAL 23 3HG1 VAL 23 9.275 -1.441 1.351 173 HG21 VAL 23 3HG2 VAL 23 6.541 -0.944 -1.120 174 HG22 VAL 23 1HG2 VAL 23 8.018 -0.404 -1.919 175 HG23 VAL 23 2HG2 VAL 23 6.857 0.780 -1.319 176 H ARG 24 H ARG 24 8.670 1.442 2.745 177 HA ARG 24 HA ARG 24 9.493 -0.759 4.370 178 HB2 ARG 24 2HB ARG 24 10.155 2.177 4.485 179 HB3 ARG 24 1HB ARG 24 10.861 0.977 5.563 180 HG2 ARG 24 2HG ARG 24 11.857 -0.184 3.703 181 HG3 ARG 24 1HG ARG 24 11.041 0.883 2.564 182 HD2 ARG 24 2HD ARG 24 12.342 2.762 3.309 183 HD3 ARG 24 1HD ARG 24 13.060 1.804 4.608 184 HE ARG 24 HE ARG 24 13.715 0.385 2.467 185 HH11 ARG 24 1HH1 ARG 24 14.069 3.867 2.995 186 HH12 ARG 24 2HH1 ARG 24 15.520 3.980 2.108 187 HH21 ARG 24 1HH2 ARG 24 15.687 0.557 1.276 188 HH22 ARG 24 2HH2 ARG 24 16.455 2.075 1.112 189 H LEU 25 H LEU 25 7.417 2.016 4.943 190 HA LEU 25 HA LEU 25 7.142 1.548 7.740 191 HB2 LEU 25 2HB LEU 25 6.651 3.678 6.429 192 HB3 LEU 25 1HB LEU 25 5.210 2.913 5.848 193 HG LEU 25 HG LEU 25 4.650 4.527 7.645 194 HD11 LEU 25 1HD1 LEU 25 4.158 1.758 8.526 195 HD12 LEU 25 2HD1 LEU 25 3.188 2.759 7.434 196 HD13 LEU 25 3HD1 LEU 25 3.379 3.229 9.121 197 HD21 LEU 25 3HD2 LEU 25 5.388 4.206 9.921 198 HD22 LEU 25 1HD2 LEU 25 6.767 4.456 8.853 199 HD23 LEU 25 2HD2 LEU 25 6.378 2.833 9.431 200 H LEU 26 H LEU 26 5.253 0.558 4.915 201 HA LEU 26 HA LEU 26 3.252 -0.799 6.381 202 HB2 LEU 26 2HB LEU 26 4.129 -1.075 3.532 203 HB3 LEU 26 1HB LEU 26 2.650 -1.704 4.220 204 HG LEU 26 HG LEU 26 3.183 0.929 3.131 205 HD11 LEU 26 1HD1 LEU 26 0.780 1.008 3.172 206 HD12 LEU 26 2HD1 LEU 26 0.903 -0.387 4.278 207 HD13 LEU 26 3HD1 LEU 26 1.411 -0.568 2.575 208 HD21 LEU 26 3HD2 LEU 26 2.074 2.327 4.701 209 HD22 LEU 26 1HD2 LEU 26 3.438 1.582 5.519 210 HD23 LEU 26 2HD2 LEU 26 1.802 0.980 5.821 211 H SER 27 H SER 27 6.472 -1.647 5.338 212 HA SER 27 HA SER 27 6.129 -4.459 5.576 213 HB2 SER 27 2HB SER 27 8.601 -2.698 5.643 214 HB3 SER 27 1HB SER 27 8.639 -4.470 5.593 215 HG SER 27 HG SER 27 7.390 -2.775 3.697 216 H LYS 28 H LYS 28 6.442 -1.840 7.749 217 HA LYS 28 HA LYS 28 7.347 -3.498 9.900 218 HB2 LYS 28 2HB LYS 28 6.471 -0.624 10.050 219 HB3 LYS 28 1HB LYS 28 7.446 -1.507 11.223 220 HG2 LYS 28 2HG LYS 28 9.036 -1.845 9.130 221 HG3 LYS 28 1HG LYS 28 8.099 -0.550 8.538 222 HD2 LYS 28 2HD LYS 28 9.454 -0.362 11.178 223 HD3 LYS 28 1HD LYS 28 10.220 0.175 9.682 224 HE2 LYS 28 2HE LYS 28 8.282 1.708 9.326 225 HE3 LYS 28 1HE LYS 28 7.667 1.237 10.912 226 HZ1 LYS 28 3HZ LYS 28 8.875 3.294 11.041 227 HZ2 LYS 28 1HZ LYS 28 10.230 2.602 10.326 228 HZ3 LYS 28 2HZ LYS 28 9.744 2.114 11.867 229 H ASN 29 H ASN 29 4.585 -3.122 8.313 230 HA ASN 29 HA ASN 29 2.819 -3.620 10.574 231 HB2 ASN 29 2HB ASN 29 2.451 -1.624 8.383 232 HB3 ASN 29 1HB ASN 29 1.128 -2.153 9.259 233 HD21 ASN 29 1HD2 ASN 29 3.847 -0.120 9.321 234 HD22 ASN 29 2HD2 ASN 29 3.537 0.625 10.850 235 HA PRO 30 HA PRO 30 2.383 -6.178 6.540 236 HB2 PRO 30 2HB PRO 30 2.945 -8.551 8.201 237 HB3 PRO 30 1HB PRO 30 3.715 -8.058 6.691 238 HG2 PRO 30 2HG PRO 30 5.033 -7.954 9.031 239 HG3 PRO 30 1HG PRO 30 5.283 -6.735 7.769 240 HD2 PRO 30 2HD PRO 30 3.579 -6.573 10.233 241 HD3 PRO 30 1HD PRO 30 4.701 -5.367 9.608 242 H GLU 31 H GLU 31 1.540 -6.519 9.795 243 HA GLU 31 HA GLU 31 -0.694 -8.221 9.676 244 HB2 GLU 31 2HB GLU 31 -0.056 -6.042 11.652 245 HB3 GLU 31 1HB GLU 31 -1.140 -7.398 11.905 246 HG2 GLU 31 2HG GLU 31 0.758 -8.937 11.711 247 HG3 GLU 31 1HG GLU 31 1.826 -7.552 11.459 248 H TRP 32 H TRP 32 -0.300 -4.617 9.513 249 HA TRP 32 HA TRP 32 -3.125 -4.228 9.450 250 HB2 TRP 32 2HB TRP 32 -1.703 -2.443 10.314 251 HB3 TRP 32 1HB TRP 32 -0.804 -2.407 8.796 252 HD1 TRP 32 HD1 TRP 32 -4.109 -1.285 10.332 253 HE1 TRP 32 HE1 TRP 32 -5.232 0.373 8.708 254 HE3 TRP 32 HE3 TRP 32 -0.933 -1.729 6.411 255 HZ2 TRP 32 HZ2 TRP 32 -4.807 1.393 6.112 256 HZ3 TRP 32 HZ3 TRP 32 -1.283 -0.484 4.432 257 HH2 TRP 32 HH2 TRP 32 -3.220 1.137 4.237 258 H LEU 33 H LEU 33 -0.494 -4.297 7.178 259 HA LEU 33 HA LEU 33 -1.812 -3.372 4.909 260 HB2 LEU 33 2HB LEU 33 0.660 -3.598 5.403 261 HB3 LEU 33 1HB LEU 33 0.509 -5.276 5.050 262 HG LEU 33 HG LEU 33 1.521 -3.838 3.211 263 HD11 LEU 33 1HD1 LEU 33 0.347 -4.902 1.407 264 HD12 LEU 33 2HD1 LEU 33 -0.987 -5.222 2.471 265 HD13 LEU 33 3HD1 LEU 33 0.556 -6.073 2.732 266 HD21 LEU 33 3HD2 LEU 33 -1.312 -2.990 2.868 267 HD22 LEU 33 1HD2 LEU 33 0.047 -2.581 1.829 268 HD23 LEU 33 2HD2 LEU 33 -0.012 -1.976 3.495 269 H SER 34 H SER 34 -1.218 -6.732 5.884 270 HA SER 34 HA SER 34 -2.546 -7.953 3.775 271 HB2 SER 34 2HB SER 34 -2.876 -9.879 5.444 272 HB3 SER 34 1HB SER 34 -1.221 -9.329 5.170 273 HG SER 34 HG SER 34 -1.143 -8.477 7.084 274 H ALA 35 H ALA 35 -3.921 -6.851 6.797 275 HA ALA 35 HA ALA 35 -6.544 -7.697 6.526 276 HB1 ALA 35 3HB ALA 35 -5.599 -5.176 7.880 277 HB2 ALA 35 1HB ALA 35 -5.609 -6.786 8.597 278 HB3 ALA 35 2HB ALA 35 -7.129 -6.006 8.165 279 H LYS 36 H LYS 36 -5.110 -4.646 5.382 280 HA LYS 36 HA LYS 36 -7.608 -3.716 4.211 281 HB2 LYS 36 2HB LYS 36 -4.733 -2.713 3.910 282 HB3 LYS 36 1HB LYS 36 -6.109 -1.910 3.171 283 HG2 LYS 36 2HG LYS 36 -5.759 -2.402 6.082 284 HG3 LYS 36 1HG LYS 36 -5.329 -0.916 5.239 285 HD2 LYS 36 2HD LYS 36 -8.061 -2.083 5.071 286 HD3 LYS 36 1HD LYS 36 -7.635 -0.988 6.409 287 HE2 LYS 36 2HE LYS 36 -7.000 0.644 4.549 288 HE3 LYS 36 1HE LYS 36 -7.766 -0.507 3.449 289 HZ1 LYS 36 3HZ LYS 36 -9.812 -0.285 4.724 290 HZ2 LYS 36 1HZ LYS 36 -9.326 1.236 4.127 291 HZ3 LYS 36 2HZ LYS 36 -9.036 0.828 5.739 292 H LEU 37 H LEU 37 -4.878 -5.545 3.013 293 HA LEU 37 HA LEU 37 -5.619 -5.604 0.383 294 HB2 LEU 37 2HB LEU 37 -4.117 -7.352 2.232 295 HB3 LEU 37 1HB LEU 37 -4.552 -7.980 0.659 296 HG LEU 37 HG LEU 37 -3.225 -6.336 -0.456 297 HD11 LEU 37 1HD1 LEU 37 -2.001 -4.589 0.617 298 HD12 LEU 37 2HD1 LEU 37 -2.912 -4.900 2.107 299 HD13 LEU 37 3HD1 LEU 37 -3.746 -4.376 0.655 300 HD21 LEU 37 3HD2 LEU 37 -1.019 -6.727 0.585 301 HD22 LEU 37 1HD2 LEU 37 -1.975 -8.196 0.343 302 HD23 LEU 37 2HD2 LEU 37 -1.852 -7.465 1.938 303 H ARG 38 H ARG 38 -6.931 -7.293 3.131 304 HA ARG 38 HA ARG 38 -8.362 -9.280 1.733 305 HB2 ARG 38 2HB ARG 38 -9.246 -7.997 4.307 306 HB3 ARG 38 1HB ARG 38 -9.627 -9.608 3.723 307 HG2 ARG 38 2HG ARG 38 -7.047 -10.056 3.926 308 HG3 ARG 38 1HG ARG 38 -7.043 -8.546 4.713 309 HD2 ARG 38 2HD ARG 38 -8.820 -10.750 5.580 310 HD3 ARG 38 1HD ARG 38 -7.204 -10.472 6.248 311 HE ARG 38 HE ARG 38 -9.094 -8.250 6.340 312 HH11 ARG 38 1HH1 ARG 38 -7.634 -10.925 8.140 313 HH12 ARG 38 2HH1 ARG 38 -7.896 -10.226 9.674 314 HH21 ARG 38 1HH2 ARG 38 -9.485 -7.319 8.451 315 HH22 ARG 38 2HH2 ARG 38 -8.983 -8.131 9.858 316 H SER 39 H SER 39 -9.042 -5.924 2.621 317 HA SER 39 HA SER 39 -11.711 -5.787 2.031 318 HB2 SER 39 2HB SER 39 -9.429 -4.030 2.406 319 HB3 SER 39 1HB SER 39 -11.044 -3.394 2.458 320 HG SER 39 HG SER 39 -11.269 -5.225 4.109 321 H PHE 40 H PHE 40 -8.714 -5.104 0.276 322 HA PHE 40 HA PHE 40 -10.147 -3.909 -2.013 323 HB2 PHE 40 2HB PHE 40 -7.249 -4.081 -1.312 324 HB3 PHE 40 1HB PHE 40 -7.866 -3.401 -2.827 325 HD1 PHE 40 HD1 PHE 40 -9.801 -1.725 -2.473 326 HD2 PHE 40 HD2 PHE 40 -6.935 -2.547 0.537 327 HE1 PHE 40 HE1 PHE 40 -10.334 0.439 -1.369 328 HE2 PHE 40 HE2 PHE 40 -7.430 -0.416 1.603 329 HZ PHE 40 HZ PHE 40 -9.130 1.082 0.671 330 H LEU 41 H LEU 41 -7.874 -6.691 -1.456 331 HA LEU 41 HA LEU 41 -8.361 -7.515 -4.185 332 HB2 LEU 41 2HB LEU 41 -6.471 -8.503 -2.103 333 HB3 LEU 41 1HB LEU 41 -6.456 -8.954 -3.799 334 HG LEU 41 HG LEU 41 -4.749 -7.557 -3.660 335 HD11 LEU 41 1HD1 LEU 41 -7.032 -5.738 -4.249 336 HD12 LEU 41 2HD1 LEU 41 -6.044 -6.672 -5.390 337 HD13 LEU 41 3HD1 LEU 41 -5.350 -5.304 -4.507 338 HD21 LEU 41 3HD2 LEU 41 -4.546 -5.536 -2.341 339 HD22 LEU 41 1HD2 LEU 41 -4.915 -6.963 -1.374 340 HD23 LEU 41 2HD2 LEU 41 -6.187 -5.795 -1.738 341 HA PRO 42 HA PRO 42 -11.032 -10.612 -2.223 342 HB2 PRO 42 2HB PRO 42 -12.103 -11.579 -4.510 343 HB3 PRO 42 1HB PRO 42 -12.619 -10.032 -3.827 344 HG2 PRO 42 2HG PRO 42 -10.657 -10.563 -6.030 345 HG3 PRO 42 1HG PRO 42 -11.983 -9.378 -5.993 346 HD2 PRO 42 2HD PRO 42 -9.417 -8.714 -5.498 347 HD3 PRO 42 1HD PRO 42 -10.770 -7.905 -4.682 348 H THR 43 H THR 43 -8.631 -10.960 -4.710 349 HA THR 43 HA THR 43 -8.568 -13.855 -4.553 350 HB THR 43 HB THR 43 -7.119 -11.956 -6.411 351 HG1 THR 43 HG1 THR 43 -9.733 -13.042 -6.404 352 HG21 THR 43 3HG2 THR 43 -6.974 -13.882 -7.841 353 HG22 THR 43 1HG2 THR 43 -8.006 -14.798 -6.696 354 HG23 THR 43 2HG2 THR 43 -6.409 -14.255 -6.181 355 H MET 44 H MET 44 -7.491 -11.965 -2.462 356 HA MET 44 HA MET 44 -4.678 -11.870 -2.566 357 HB2 MET 44 2HB MET 44 -6.087 -10.276 -1.548 358 HB3 MET 44 1HB MET 44 -6.651 -11.494 -0.407 359 HG2 MET 44 2HG MET 44 -5.303 -10.089 0.482 360 HG3 MET 44 1HG MET 44 -4.384 -11.613 0.428 361 HE1 MET 44 3HE MET 44 -1.425 -10.660 -2.078 362 HE2 MET 44 1HE MET 44 -2.844 -11.618 -2.490 363 HE3 MET 44 2HE MET 44 -2.050 -11.846 -0.941 364 H ASP 45 H ASP 45 -3.694 -13.831 -2.639 365 HA ASP 45 HA ASP 45 -4.176 -15.651 -0.396 366 HB2 ASP 45 2HB ASP 45 -3.791 -16.691 -2.649 367 HB3 ASP 45 1HB ASP 45 -2.227 -15.894 -2.730 368 H LEU 46 H LEU 46 -3.667 -14.106 1.042 369 HA LEU 46 HA LEU 46 -0.993 -12.980 1.055 370 HB2 LEU 46 2HB LEU 46 -1.772 -11.600 2.914 371 HB3 LEU 46 1HB LEU 46 -2.788 -11.462 1.491 372 HG LEU 46 HG LEU 46 -4.401 -13.065 2.676 373 HD11 LEU 46 1HD1 LEU 46 -4.370 -13.093 5.114 374 HD12 LEU 46 2HD1 LEU 46 -2.808 -12.273 5.100 375 HD13 LEU 46 3HD1 LEU 46 -2.955 -13.898 4.431 376 HD21 LEU 46 3HD2 LEU 46 -3.941 -10.298 3.754 377 HD22 LEU 46 1HD2 LEU 46 -5.388 -11.269 4.036 378 HD23 LEU 46 2HD2 LEU 46 -4.962 -10.776 2.402 379 H ASP 47 H ASP 47 -2.577 -15.589 2.412 380 HA ASP 47 HA ASP 47 -1.180 -15.700 4.899 381 HB2 ASP 47 2HB ASP 47 -3.347 -16.788 4.635 382 HB3 ASP 47 1HB ASP 47 -2.661 -17.873 3.432 383 H CYS 48 H CYS 48 -0.337 -16.439 1.845 384 HA CYS 48 HA CYS 48 1.703 -18.355 2.728 385 HB2 CYS 48 2HB CYS 48 0.908 -17.723 -0.108 386 HB3 CYS 48 1HB CYS 48 1.955 -19.032 0.433 387 HG CYS 48 HG CYS 48 -1.211 -18.964 0.005 388 H SER 49 H SER 49 3.255 -17.045 3.566 389 HA SER 49 HA SER 49 4.320 -14.901 1.920 390 HB2 SER 49 2HB SER 49 5.082 -15.807 4.707 391 HB3 SER 49 1HB SER 49 5.611 -14.325 3.905 392 HG SER 49 HG SER 49 3.312 -13.784 3.784 393 H TYR 50 H TYR 50 5.255 -15.893 0.302 394 HA TYR 50 HA TYR 50 7.071 -18.010 0.470 395 HB2 TYR 50 2HB TYR 50 7.916 -16.764 -1.782 396 HB3 TYR 50 1HB TYR 50 6.512 -17.819 -1.725 397 HD1 TYR 50 HD1 TYR 50 7.461 -14.208 -1.420 398 HD2 TYR 50 HD2 TYR 50 4.438 -17.020 -2.427 399 HE1 TYR 50 HE1 TYR 50 6.043 -12.377 -2.262 400 HE2 TYR 50 HE2 TYR 50 3.012 -15.201 -3.256 401 HH TYR 50 HH TYR 50 2.783 -12.741 -2.807 402 H GLU 51 H GLU 51 7.578 -14.697 0.394 403 HA GLU 51 HA GLU 51 10.247 -14.974 1.475 404 HB2 GLU 51 2HB GLU 51 8.841 -12.897 -0.141 405 HB3 GLU 51 1HB GLU 51 10.396 -12.677 0.590 406 HG2 GLU 51 2HG GLU 51 11.257 -14.548 -0.816 407 HG3 GLU 51 1HG GLU 51 9.670 -14.646 -1.575 408 HA PRO 52 HA PRO 52 8.432 -12.608 4.918 409 HB2 PRO 52 2HB PRO 52 10.520 -11.057 5.700 410 HB3 PRO 52 1HB PRO 52 10.523 -12.805 5.945 411 HG2 PRO 52 2HG PRO 52 11.797 -11.214 3.754 412 HG3 PRO 52 1HG PRO 52 12.505 -12.505 4.747 413 HD2 PRO 52 2HD PRO 52 11.571 -12.951 2.268 414 HD3 PRO 52 1HD PRO 52 11.441 -14.164 3.555 415 H SER 53 H SER 53 9.289 -9.877 5.503 416 HA SER 53 HA SER 53 7.440 -8.453 3.894 417 HB2 SER 53 2HB SER 53 9.365 -7.437 5.986 418 HB3 SER 53 1HB SER 53 7.859 -6.683 5.456 419 HG SER 53 HG SER 53 7.868 -7.999 7.448 420 H ASN 54 H ASN 54 9.596 -9.363 2.287 421 HA ASN 54 HA ASN 54 11.610 -7.481 1.727 422 HB2 ASN 54 2HB ASN 54 10.447 -9.853 0.469 423 HB3 ASN 54 1HB ASN 54 11.142 -8.677 -0.638 424 HD21 ASN 54 1HD2 ASN 54 13.268 -8.555 -0.811 425 HD22 ASN 54 2HD2 ASN 54 14.411 -9.491 0.092 426 HA PRO 55 HA PRO 55 9.400 -4.260 -0.318 427 HB2 PRO 55 2HB PRO 55 11.278 -3.561 -2.215 428 HB3 PRO 55 1HB PRO 55 11.280 -3.010 -0.542 429 HG2 PRO 55 2HG PRO 55 12.881 -5.163 -1.824 430 HG3 PRO 55 1HG PRO 55 13.340 -4.037 -0.538 431 HD2 PRO 55 2HD PRO 55 12.671 -6.650 -0.082 432 HD3 PRO 55 1HD PRO 55 12.404 -5.372 1.117 433 H GLU 56 H GLU 56 10.829 -6.844 -2.162 434 HA GLU 56 HA GLU 56 9.510 -6.340 -4.632 435 HB2 GLU 56 2HB GLU 56 10.556 -8.961 -3.524 436 HB3 GLU 56 1HB GLU 56 10.063 -8.692 -5.183 437 HG2 GLU 56 2HG GLU 56 12.428 -8.686 -5.138 438 HG3 GLU 56 1HG GLU 56 11.908 -7.021 -5.366 439 H VAL 57 H VAL 57 8.854 -8.195 -1.775 440 HA VAL 57 HA VAL 57 6.565 -9.538 -2.675 441 HB VAL 57 HB VAL 57 7.387 -8.818 0.149 442 HG11 VAL 57 1HG1 VAL 57 5.469 -10.945 -0.807 443 HG12 VAL 57 2HG1 VAL 57 5.039 -9.469 0.064 444 HG13 VAL 57 3HG1 VAL 57 6.021 -10.709 0.851 445 HG21 VAL 57 3HG2 VAL 57 8.367 -10.995 0.242 446 HG22 VAL 57 1HG2 VAL 57 9.076 -10.062 -1.071 447 HG23 VAL 57 2HG2 VAL 57 7.889 -11.322 -1.431 448 H ILE 58 H ILE 58 7.097 -6.743 -0.657 449 HA ILE 58 HA ILE 58 4.507 -5.879 -0.224 450 HB ILE 58 HB ILE 58 7.022 -4.236 -0.582 451 HG12 ILE 58 2HG1 ILE 58 7.211 -5.878 1.216 452 HG13 ILE 58 1HG1 ILE 58 7.122 -4.242 1.848 453 HG21 ILE 58 1HG2 ILE 58 5.888 -2.489 0.725 454 HG22 ILE 58 2HG2 ILE 58 4.402 -3.436 0.659 455 HG23 ILE 58 3HG2 ILE 58 5.105 -2.798 -0.826 456 HD11 ILE 58 3HD1 ILE 58 4.795 -4.585 2.464 457 HD12 ILE 58 1HD1 ILE 58 5.846 -5.788 3.209 458 HD13 ILE 58 2HD1 ILE 58 4.858 -6.230 1.818 459 H HIS 59 H HIS 59 6.661 -5.312 -2.925 460 HA HIS 59 HA HIS 59 5.135 -3.442 -4.357 461 HB2 HIS 59 2HB HIS 59 7.555 -3.979 -4.736 462 HB3 HIS 59 1HB HIS 59 7.069 -5.497 -5.462 463 HD1 HIS 59 HD1 HIS 59 6.144 -5.388 -7.910 464 HD2 HIS 59 HD2 HIS 59 7.291 -1.717 -6.337 465 HE1 HIS 59 HE1 HIS 59 6.319 -3.854 -9.856 466 HE2 HIS 59 HE2 HIS 59 7.440 -1.811 -8.864 467 H ARG 60 H ARG 60 4.807 -6.933 -4.131 468 HA ARG 60 HA ARG 60 3.171 -7.277 -6.510 469 HB2 ARG 60 2HB ARG 60 3.014 -9.057 -4.077 470 HB3 ARG 60 1HB ARG 60 2.747 -9.484 -5.753 471 HG2 ARG 60 2HG ARG 60 5.316 -8.838 -4.426 472 HG3 ARG 60 1HG ARG 60 4.784 -10.448 -4.901 473 HD2 ARG 60 2HD ARG 60 4.773 -9.797 -7.260 474 HD3 ARG 60 1HD ARG 60 5.268 -8.164 -6.814 475 HE ARG 60 HE ARG 60 7.038 -10.201 -5.890 476 HH11 ARG 60 1HH1 ARG 60 6.233 -8.134 -8.630 477 HH12 ARG 60 2HH1 ARG 60 7.806 -8.107 -9.279 478 HH21 ARG 60 1HH2 ARG 60 9.188 -10.218 -6.778 479 HH22 ARG 60 2HH2 ARG 60 9.543 -9.339 -8.194 480 H GLN 61 H GLN 61 2.764 -6.780 -3.145 481 HA GLN 61 HA GLN 61 -0.007 -7.291 -2.954 482 HB2 GLN 61 2HB GLN 61 1.840 -5.782 -1.128 483 HB3 GLN 61 1HB GLN 61 0.298 -6.516 -0.694 484 HG2 GLN 61 2HG GLN 61 1.179 -8.672 -1.330 485 HG3 GLN 61 1HG GLN 61 2.753 -7.980 -1.657 486 HE21 GLN 61 1HE2 GLN 61 0.535 -8.957 0.816 487 HE22 GLN 61 2HE2 GLN 61 1.613 -8.782 2.145 488 H LEU 62 H LEU 62 1.965 -4.464 -3.076 489 HA LEU 62 HA LEU 62 -0.266 -2.688 -2.983 490 HB2 LEU 62 2HB LEU 62 2.666 -2.234 -3.450 491 HB3 LEU 62 1HB LEU 62 1.534 -0.930 -3.705 492 HG LEU 62 HG LEU 62 2.631 -0.773 -1.489 493 HD11 LEU 62 1HD1 LEU 62 0.372 0.117 -1.728 494 HD12 LEU 62 2HD1 LEU 62 0.699 -0.479 -0.103 495 HD13 LEU 62 3HD1 LEU 62 -0.276 -1.443 -1.206 496 HD21 LEU 62 3HD2 LEU 62 2.141 -2.341 0.296 497 HD22 LEU 62 1HD2 LEU 62 2.960 -3.153 -1.037 498 HD23 LEU 62 2HD2 LEU 62 1.221 -3.348 -0.823 499 H ASN 63 H ASN 63 1.531 -4.194 -5.615 500 HA ASN 63 HA ASN 63 0.751 -2.816 -7.856 501 HB2 ASN 63 2HB ASN 63 2.314 -4.805 -7.550 502 HB3 ASN 63 1HB ASN 63 0.870 -5.785 -7.410 503 HD21 ASN 63 1HD2 ASN 63 -0.494 -4.243 -9.578 504 HD22 ASN 63 2HD2 ASN 63 0.252 -4.823 -11.002 505 H ARG 64 H ARG 64 -0.809 -5.324 -5.982 506 HA ARG 64 HA ARG 64 -3.073 -5.857 -7.534 507 HB2 ARG 64 2HB ARG 64 -2.458 -6.129 -4.611 508 HB3 ARG 64 1HB ARG 64 -4.000 -6.600 -5.297 509 HG2 ARG 64 2HG ARG 64 -1.374 -7.716 -6.218 510 HG3 ARG 64 1HG ARG 64 -2.387 -8.466 -4.978 511 HD2 ARG 64 2HD ARG 64 -4.214 -8.529 -6.590 512 HD3 ARG 64 1HD ARG 64 -3.138 -7.895 -7.840 513 HE ARG 64 HE ARG 64 -2.203 -10.253 -6.503 514 HH11 ARG 64 1HH1 ARG 64 -4.029 -9.044 -9.276 515 HH12 ARG 64 2HH1 ARG 64 -3.876 -10.477 -10.168 516 HH21 ARG 64 1HH2 ARG 64 -1.992 -12.230 -7.765 517 HH22 ARG 64 2HH2 ARG 64 -2.676 -12.307 -9.315 518 H LEU 65 H LEU 65 -2.522 -3.377 -5.135 519 HA LEU 65 HA LEU 65 -5.271 -2.611 -4.855 520 HB2 LEU 65 2HB LEU 65 -2.769 -1.098 -4.251 521 HB3 LEU 65 1HB LEU 65 -4.382 -0.684 -3.696 522 HG LEU 65 HG LEU 65 -2.864 -3.174 -2.937 523 HD11 LEU 65 1HD1 LEU 65 -2.654 -2.094 -0.822 524 HD12 LEU 65 2HD1 LEU 65 -3.629 -0.747 -1.443 525 HD13 LEU 65 3HD1 LEU 65 -2.005 -1.018 -2.087 526 HD21 LEU 65 3HD2 LEU 65 -5.272 -3.481 -2.952 527 HD22 LEU 65 1HD2 LEU 65 -5.454 -2.017 -1.985 528 HD23 LEU 65 2HD2 LEU 65 -4.635 -3.426 -1.307 529 H PHE 66 H PHE 66 -2.526 -1.315 -6.636 530 HA PHE 66 HA PHE 66 -3.953 0.884 -7.701 531 HB2 PHE 66 2HB PHE 66 -1.421 0.643 -7.547 532 HB3 PHE 66 1HB PHE 66 -1.520 -0.453 -8.919 533 HD1 PHE 66 HD1 PHE 66 -2.030 3.015 -7.808 534 HD2 PHE 66 HD2 PHE 66 -1.782 0.382 -11.138 535 HE1 PHE 66 HE1 PHE 66 -1.916 4.950 -9.317 536 HE2 PHE 66 HE2 PHE 66 -1.669 2.309 -12.656 537 HZ PHE 66 HZ PHE 66 -1.732 4.600 -11.749 538 H ALA 67 H ALA 67 -3.569 -2.432 -8.571 539 HA ALA 67 HA ALA 67 -4.667 -2.295 -11.162 540 HB1 ALA 67 3HB ALA 67 -3.344 -4.213 -10.391 541 HB2 ALA 67 1HB ALA 67 -4.926 -4.707 -10.996 542 HB3 ALA 67 2HB ALA 67 -4.631 -4.633 -9.260 543 H GLN 68 H GLN 68 -6.185 -2.779 -7.892 544 HA GLN 68 HA GLN 68 -8.747 -3.275 -8.765 545 HB2 GLN 68 2HB GLN 68 -7.646 -1.867 -6.359 546 HB3 GLN 68 1HB GLN 68 -9.350 -2.136 -6.574 547 HG2 GLN 68 2HG GLN 68 -7.252 -4.040 -5.606 548 HG3 GLN 68 1HG GLN 68 -8.843 -3.742 -5.218 549 HE21 GLN 68 1HE2 GLN 68 -7.345 -6.218 -6.351 550 HE22 GLN 68 2HE2 GLN 68 -8.579 -6.933 -7.318 551 H GLY 69 H GLY 69 -7.020 -0.315 -8.005 552 HA2 GLY 69 2HA GLY 69 -8.449 1.308 -9.883 553 HA3 GLY 69 1HA GLY 69 -9.030 1.455 -8.258 554 H MET 70 H MET 70 -7.251 3.024 -10.244 555 HA MET 70 HA MET 70 -5.087 3.671 -8.510 556 HB2 MET 70 2HB MET 70 -4.819 5.743 -9.839 557 HB3 MET 70 1HB MET 70 -5.007 4.353 -10.889 558 HG2 MET 70 2HG MET 70 -7.317 4.969 -11.320 559 HG3 MET 70 1HG MET 70 -7.171 6.329 -10.212 560 HE1 MET 70 3HE MET 70 -4.369 5.100 -12.756 561 HE2 MET 70 1HE MET 70 -4.820 6.013 -14.192 562 HE3 MET 70 2HE MET 70 -5.885 4.745 -13.583 563 H ALA 71 H ALA 71 -8.397 4.380 -8.784 564 HA ALA 71 HA ALA 71 -8.557 6.469 -6.849 565 HB1 ALA 71 3HB ALA 71 -10.350 6.072 -8.463 566 HB2 ALA 71 1HB ALA 71 -10.969 5.880 -6.817 567 HB3 ALA 71 2HB ALA 71 -10.584 4.458 -7.805 568 H THR 72 H THR 72 -8.978 2.908 -6.796 569 HA THR 72 HA THR 72 -9.438 2.476 -4.120 570 HB THR 72 HB THR 72 -7.895 0.839 -6.155 571 HG1 THR 72 HG1 THR 72 -10.435 0.154 -5.277 572 HG21 THR 72 3HG2 THR 72 -8.401 -1.157 -4.602 573 HG22 THR 72 1HG2 THR 72 -8.912 -0.021 -3.403 574 HG23 THR 72 2HG2 THR 72 -7.236 -0.048 -3.908 575 H TRP 73 H TRP 73 -6.395 2.907 -5.830 576 HA TRP 73 HA TRP 73 -4.653 2.533 -3.696 577 HB2 TRP 73 2HB TRP 73 -3.958 2.606 -6.055 578 HB3 TRP 73 1HB TRP 73 -4.353 4.319 -6.121 579 HD1 TRP 73 HD1 TRP 73 -2.560 5.981 -5.306 580 HE1 TRP 73 HE1 TRP 73 -0.170 5.748 -4.403 581 HE3 TRP 73 HE3 TRP 73 -2.476 0.949 -4.603 582 HZ2 TRP 73 HZ2 TRP 73 1.531 3.720 -3.528 583 HZ3 TRP 73 HZ3 TRP 73 -0.432 -0.071 -3.738 584 HH2 TRP 73 HH2 TRP 73 1.539 1.282 -3.204 585 H LYS 74 H LYS 74 -6.067 5.573 -4.962 586 HA LYS 74 HA LYS 74 -5.099 7.372 -3.065 587 HB2 LYS 74 2HB LYS 74 -7.852 7.432 -4.338 588 HB3 LYS 74 1HB LYS 74 -6.986 8.805 -3.661 589 HG2 LYS 74 2HG LYS 74 -5.326 8.585 -5.429 590 HG3 LYS 74 1HG LYS 74 -6.215 7.204 -6.059 591 HD2 LYS 74 2HD LYS 74 -8.178 8.670 -6.367 592 HD3 LYS 74 1HD LYS 74 -7.172 10.013 -5.787 593 HE2 LYS 74 2HE LYS 74 -5.662 9.775 -7.556 594 HE3 LYS 74 1HE LYS 74 -6.432 8.277 -8.098 595 HZ1 LYS 74 3HZ LYS 74 -7.047 10.197 -9.505 596 HZ2 LYS 74 1HZ LYS 74 -7.714 10.981 -8.188 597 HZ3 LYS 74 2HZ LYS 74 -8.394 9.564 -8.730 598 H SER 75 H SER 75 -8.011 5.290 -2.888 599 HA SER 75 HA SER 75 -8.971 6.250 -0.519 600 HB2 SER 75 2HB SER 75 -9.169 3.598 -1.904 601 HB3 SER 75 1HB SER 75 -10.251 4.201 -0.659 602 HG SER 75 HG SER 75 -9.869 5.928 -2.764 603 H PHE 76 H PHE 76 -6.853 3.537 -1.355 604 HA PHE 76 HA PHE 76 -6.534 2.372 1.143 605 HB2 PHE 76 2HB PHE 76 -5.824 1.270 -0.901 606 HB3 PHE 76 1HB PHE 76 -4.605 2.503 -1.178 607 HD1 PHE 76 HD2 PHE 76 -5.571 -0.317 0.972 608 HD2 PHE 76 HD1 PHE 76 -2.479 2.387 -0.115 609 HE1 PHE 76 HE2 PHE 76 -3.952 -1.683 2.204 610 HE2 PHE 76 HE1 PHE 76 -0.849 1.022 1.118 611 HZ PHE 76 HZ PHE 76 -1.598 -1.033 2.274 612 H ILE 77 H ILE 77 -4.548 4.831 -0.448 613 HA ILE 77 HA ILE 77 -2.665 5.094 1.655 614 HB ILE 77 HB ILE 77 -3.450 7.126 -0.465 615 HG12 ILE 77 2HG1 ILE 77 -2.648 5.013 -1.448 616 HG13 ILE 77 1HG1 ILE 77 -1.517 6.327 -1.739 617 HG21 ILE 77 1HG2 ILE 77 -0.985 7.000 1.246 618 HG22 ILE 77 2HG2 ILE 77 -2.284 8.187 1.366 619 HG23 ILE 77 3HG2 ILE 77 -1.261 8.139 -0.078 620 HD11 ILE 77 3HD1 ILE 77 -0.357 4.270 -1.201 621 HD12 ILE 77 1HD1 ILE 77 -1.219 4.156 0.335 622 HD13 ILE 77 2HD1 ILE 77 -0.088 5.480 0.051 623 H ASN 78 H ASN 78 -5.692 6.759 0.974 624 HA ASN 78 HA ASN 78 -5.413 8.648 3.086 625 HB2 ASN 78 2HB ASN 78 -6.888 9.060 1.133 626 HB3 ASN 78 1HB ASN 78 -7.943 7.759 1.667 627 HD21 ASN 78 1HD2 ASN 78 -6.754 10.961 2.391 628 HD22 ASN 78 2HD2 ASN 78 -8.029 11.409 3.459 629 H ASP 79 H ASP 79 -6.841 5.432 2.922 630 HA ASP 79 HA ASP 79 -7.705 5.547 5.650 631 HB2 ASP 79 2HB ASP 79 -7.222 3.199 3.817 632 HB3 ASP 79 1HB ASP 79 -7.581 3.052 5.537 633 H LEU 80 H LEU 80 -4.839 4.507 4.014 634 HA LEU 80 HA LEU 80 -3.374 3.222 5.946 635 HB2 LEU 80 2HB LEU 80 -2.816 3.543 3.540 636 HB3 LEU 80 1HB LEU 80 -2.580 5.184 3.888 637 HG LEU 80 HG LEU 80 -0.493 3.717 3.487 638 HD11 LEU 80 1HD1 LEU 80 -0.296 6.016 4.192 639 HD12 LEU 80 2HD1 LEU 80 0.882 5.008 5.037 640 HD13 LEU 80 3HD1 LEU 80 -0.575 5.554 5.871 641 HD21 LEU 80 3HD2 LEU 80 -1.194 3.120 6.281 642 HD22 LEU 80 1HD2 LEU 80 0.375 2.744 5.541 643 HD23 LEU 80 2HD2 LEU 80 -1.118 2.009 4.905 644 H CYS 81 H CYS 81 -3.332 6.693 5.243 645 HA CYS 81 HA CYS 81 -1.624 7.398 7.331 646 HB2 CYS 81 2HB CYS 81 -2.419 9.698 6.874 647 HB3 CYS 81 1HB CYS 81 -1.927 8.815 5.432 648 HG CYS 81 HG CYS 81 -3.979 10.222 4.569 649 H PHE 82 H PHE 82 -5.050 7.057 7.181 650 HA PHE 82 HA PHE 82 -5.706 8.252 9.685 651 HB2 PHE 82 2HB PHE 82 -7.373 7.993 7.842 652 HB3 PHE 82 1HB PHE 82 -7.183 6.272 7.970 653 HD1 PHE 82 HD1 PHE 82 -8.245 9.180 10.026 654 HD2 PHE 82 HD2 PHE 82 -8.555 5.006 9.285 655 HE1 PHE 82 HE1 PHE 82 -10.051 9.015 11.688 656 HE2 PHE 82 HE2 PHE 82 -10.348 4.833 10.935 657 HZ PHE 82 HZ PHE 82 -11.104 6.832 12.141 658 H GLU 83 H GLU 83 -5.486 4.909 8.568 659 HA GLU 83 HA GLU 83 -6.221 3.798 11.047 660 HB2 GLU 83 2HB GLU 83 -4.939 2.425 8.696 661 HB3 GLU 83 1HB GLU 83 -5.772 1.640 10.031 662 HG2 GLU 83 2HG GLU 83 -7.819 2.998 9.328 663 HG3 GLU 83 1HG GLU 83 -6.923 3.386 7.885 664 H LEU 84 H LEU 84 -3.067 4.319 9.553 665 HA LEU 84 HA LEU 84 -1.819 3.056 11.866 666 HB2 LEU 84 2HB LEU 84 -0.550 4.439 9.504 667 HB3 LEU 84 1HB LEU 84 0.313 3.588 10.765 668 HG LEU 84 HG LEU 84 -1.527 2.379 8.706 669 HD11 LEU 84 1HD1 LEU 84 0.671 3.020 7.865 670 HD12 LEU 84 2HD1 LEU 84 0.502 1.272 7.928 671 HD13 LEU 84 3HD1 LEU 84 1.442 2.117 9.153 672 HD21 LEU 84 3HD2 LEU 84 -0.908 0.224 9.664 673 HD22 LEU 84 1HD2 LEU 84 -1.778 1.212 10.830 674 HD23 LEU 84 2HD2 LEU 84 -0.025 1.037 10.959 675 H ASP 85 H ASP 85 -3.072 5.976 11.057 676 HA ASP 85 HA ASP 85 -2.931 8.096 11.725 677 HB2 ASP 85 2HB ASP 85 -3.570 7.109 13.894 678 HB3 ASP 85 1HB ASP 85 -1.878 6.854 14.289 679 H VAL 86 H VAL 86 -1.360 8.278 10.086 680 HA VAL 86 HA VAL 86 1.181 9.216 11.163 681 HB VAL 86 HB VAL 86 2.387 8.330 9.117 682 HG11 VAL 86 1HG1 VAL 86 2.597 6.021 9.933 683 HG12 VAL 86 2HG1 VAL 86 1.168 6.261 10.938 684 HG13 VAL 86 3HG1 VAL 86 2.631 7.199 11.244 685 HG21 VAL 86 3HG2 VAL 86 0.464 7.937 7.666 686 HG22 VAL 86 1HG2 VAL 86 -0.129 6.695 8.770 687 HG23 VAL 86 2HG2 VAL 86 1.380 6.446 7.891 688 HA PRO 87 HA PRO 87 0.062 12.673 8.598 689 HB2 PRO 87 2HB PRO 87 2.258 14.184 9.098 690 HB3 PRO 87 1HB PRO 87 0.930 14.048 10.253 691 HG2 PRO 87 2HG PRO 87 3.597 12.725 10.258 692 HG3 PRO 87 1HG PRO 87 2.627 13.292 11.624 693 HD2 PRO 87 2HD PRO 87 2.824 10.661 10.823 694 HD3 PRO 87 1HD PRO 87 1.481 11.332 11.766 695 H LEU 88 H LEU 88 0.244 12.166 6.507 696 HA LEU 88 HA LEU 88 2.813 11.342 5.468 697 HB2 LEU 88 2HB LEU 88 0.178 11.672 4.044 698 HB3 LEU 88 1HB LEU 88 1.638 11.002 3.344 699 HG LEU 88 HG LEU 88 -0.020 9.803 5.555 700 HD11 LEU 88 1HD1 LEU 88 0.575 8.900 2.760 701 HD12 LEU 88 2HD1 LEU 88 -0.974 9.517 3.362 702 HD13 LEU 88 3HD1 LEU 88 -0.314 7.993 3.976 703 HD21 LEU 88 3HD2 LEU 88 1.541 7.897 5.424 704 HD22 LEU 88 1HD2 LEU 88 2.307 9.371 6.026 705 HD23 LEU 88 2HD2 LEU 88 2.572 8.861 4.364 706 H ASP 89 H ASP 89 0.672 14.032 5.462 707 HA ASP 89 HA ASP 89 0.928 16.205 5.034 708 HB2 ASP 89 2HB ASP 89 3.103 16.151 6.095 709 HB3 ASP 89 1HB ASP 89 3.839 15.490 4.644 710 H MET 90 H MET 90 2.700 14.320 2.725 711 HA MET 90 HA MET 90 1.250 15.718 0.616 712 HB2 MET 90 2HB MET 90 3.180 15.111 -0.899 713 HB3 MET 90 1HB MET 90 3.575 16.265 0.360 714 HG2 MET 90 2HG MET 90 4.616 14.447 1.656 715 HG3 MET 90 1HG MET 90 4.232 13.323 0.356 716 HE1 MET 90 3HE MET 90 5.499 17.089 0.016 717 HE2 MET 90 1HE MET 90 7.239 16.826 -0.052 718 HE3 MET 90 2HE MET 90 6.347 16.463 1.427 719 H GLU 91 H GLU 91 -0.376 14.224 1.219 720 HA GLU 91 HA GLU 91 -0.100 11.385 1.147 721 HB2 GLU 91 2HB GLU 91 -1.683 12.569 2.572 722 HB3 GLU 91 1HB GLU 91 -2.508 13.192 1.158 723 HG2 GLU 91 2HG GLU 91 -3.206 10.934 0.566 724 HG3 GLU 91 1HG GLU 91 -2.354 10.298 1.974 725 H ILE 92 H ILE 92 -1.516 13.742 -1.038 726 HA ILE 92 HA ILE 92 -2.555 11.860 -3.027 727 HB ILE 92 HB ILE 92 -1.878 14.818 -3.131 728 HG12 ILE 92 2HG1 ILE 92 -3.495 14.454 -1.392 729 HG13 ILE 92 1HG1 ILE 92 -4.304 15.177 -2.774 730 HG21 ILE 92 1HG2 ILE 92 -3.603 13.161 -4.917 731 HG22 ILE 92 2HG2 ILE 92 -1.979 13.792 -5.231 732 HG23 ILE 92 3HG2 ILE 92 -3.328 14.918 -5.024 733 HD11 ILE 92 3HD1 ILE 92 -5.708 13.480 -1.810 734 HD12 ILE 92 1HD1 ILE 92 -4.401 12.297 -1.909 735 HD13 ILE 92 2HD1 ILE 92 -5.134 12.912 -3.383 736 HA PRO 93 HA PRO 93 1.741 12.595 -5.313 737 HB2 PRO 93 2HB PRO 93 2.994 12.707 -2.579 738 HB3 PRO 93 1HB PRO 93 3.732 13.205 -4.104 739 HG2 PRO 93 2HG PRO 93 2.704 15.112 -2.706 740 HG3 PRO 93 1HG PRO 93 2.134 14.958 -4.371 741 HD2 PRO 93 2HD PRO 93 0.665 14.145 -1.890 742 HD3 PRO 93 1HD PRO 93 0.117 14.955 -3.365 743 H LEU 94 H LEU 94 1.185 10.925 -2.163 744 HA LEU 94 HA LEU 94 2.457 8.496 -2.936 745 HB2 LEU 94 2HB LEU 94 0.450 9.215 -0.826 746 HB3 LEU 94 1HB LEU 94 0.719 7.530 -1.191 747 HG LEU 94 HG LEU 94 1.891 8.228 0.797 748 HD11 LEU 94 1HD1 LEU 94 3.748 7.625 -1.488 749 HD12 LEU 94 2HD1 LEU 94 2.854 6.459 -0.511 750 HD13 LEU 94 3HD1 LEU 94 4.130 7.432 0.223 751 HD21 LEU 94 3HD2 LEU 94 3.397 10.135 -0.981 752 HD22 LEU 94 1HD2 LEU 94 3.785 9.771 0.702 753 HD23 LEU 94 2HD2 LEU 94 2.263 10.566 0.301 754 H VAL 95 H VAL 95 -0.879 9.685 -3.050 755 HA VAL 95 HA VAL 95 -2.045 7.413 -4.092 756 HB VAL 95 HB VAL 95 -3.859 8.556 -4.180 757 HG11 VAL 95 1HG1 VAL 95 -2.588 10.131 -2.195 758 HG12 VAL 95 2HG1 VAL 95 -3.613 8.696 -2.125 759 HG13 VAL 95 3HG1 VAL 95 -4.299 10.235 -2.641 760 HG21 VAL 95 3HG2 VAL 95 -4.384 10.896 -4.744 761 HG22 VAL 95 1HG2 VAL 95 -3.692 9.918 -6.037 762 HG23 VAL 95 2HG2 VAL 95 -2.678 11.092 -5.186 763 H SER 96 H SER 96 -0.521 10.036 -5.475 764 HA SER 96 HA SER 96 -0.979 9.563 -8.263 765 HB2 SER 96 2HB SER 96 0.568 11.411 -6.630 766 HB3 SER 96 1HB SER 96 0.462 11.673 -8.344 767 HG SER 96 HG SER 96 -1.351 11.949 -6.296 768 H ILE 97 H ILE 97 0.979 7.946 -6.233 769 HA ILE 97 HA ILE 97 3.593 8.226 -7.157 770 HB ILE 97 HB ILE 97 2.645 6.998 -5.079 771 HG12 ILE 97 2HG1 ILE 97 4.593 5.399 -5.052 772 HG13 ILE 97 1HG1 ILE 97 4.975 5.969 -6.680 773 HG21 ILE 97 1HG2 ILE 97 1.209 5.419 -6.182 774 HG22 ILE 97 2HG2 ILE 97 2.466 4.545 -5.296 775 HG23 ILE 97 3HG2 ILE 97 2.574 4.729 -7.049 776 HD11 ILE 97 3HD1 ILE 97 5.178 8.247 -5.785 777 HD12 ILE 97 1HD1 ILE 97 6.294 7.112 -5.007 778 HD13 ILE 97 2HD1 ILE 97 4.812 7.600 -4.182 779 H TRP 98 H TRP 98 0.870 6.641 -8.609 780 HA TRP 98 HA TRP 98 0.481 5.180 -10.151 781 HB2 TRP 98 2HB TRP 98 2.878 6.426 -11.492 782 HB3 TRP 98 1HB TRP 98 1.588 5.435 -12.187 783 HD1 TRP 98 HD1 TRP 98 -0.889 6.839 -10.802 784 HE1 TRP 98 HE1 TRP 98 -1.630 9.149 -11.655 785 HE3 TRP 98 HE3 TRP 98 3.480 8.301 -12.992 786 HZ2 TRP 98 HZ2 TRP 98 -0.486 11.306 -13.082 787 HZ3 TRP 98 HZ3 TRP 98 3.578 10.500 -14.087 788 HH2 TRP 98 HH2 TRP 98 1.633 11.973 -14.128 789 H GLY 99 H GLY 99 0.785 3.335 -9.054 790 HA2 GLY 99 2HA GLY 99 3.389 2.085 -9.036 791 HA3 GLY 99 1HA GLY 99 1.913 1.457 -8.308 792 HA PRO 100 HA PRO 100 2.617 -0.743 -12.332 793 HB2 PRO 100 2HB PRO 100 3.042 -3.215 -11.403 794 HB3 PRO 100 1HB PRO 100 4.351 -2.025 -11.468 795 HG2 PRO 100 2HG PRO 100 2.681 -2.877 -9.135 796 HG3 PRO 100 1HG PRO 100 4.425 -2.590 -9.210 797 HD2 PRO 100 2HD PRO 100 2.623 -0.770 -8.244 798 HD3 PRO 100 1HD PRO 100 4.188 -0.329 -8.955 799 H ARG 101 H ARG 101 1.142 -2.285 -13.329 800 HA ARG 101 HA ARG 101 -1.099 -3.067 -11.710 801 HB2 ARG 101 2HB ARG 101 -1.730 -1.010 -12.862 802 HB3 ARG 101 1HB ARG 101 -1.204 -1.687 -14.394 803 HG2 ARG 101 2HG ARG 101 -2.871 -3.350 -14.281 804 HG3 ARG 101 1HG ARG 101 -3.409 -2.779 -12.698 805 HD2 ARG 101 2HD ARG 101 -4.013 -0.607 -13.701 806 HD3 ARG 101 1HD ARG 101 -3.477 -1.183 -15.276 807 HE ARG 101 HE ARG 101 -5.340 -2.998 -14.474 808 HH11 ARG 101 1HH1 ARG 101 -5.347 0.495 -15.044 809 HH12 ARG 101 2HH1 ARG 101 -6.991 0.576 -15.445 810 HH21 ARG 101 1HH2 ARG 101 -7.615 -2.891 -15.039 811 HH22 ARG 101 2HH2 ARG 101 -8.307 -1.386 -15.446 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 -6.819 17.904 0.743 2 H2 GLY 1 2H GLY 1 -8.302 17.084 0.713 3 H3 GLY 1 3H GLY 1 -7.562 17.435 2.195 4 HA2 GLY 1 1HA GLY 1 -9.392 18.902 1.751 5 HA3 GLY 1 2HA GLY 1 -7.859 19.762 1.842 6 HA PRO 2 HA PRO 2 -10.124 20.425 -2.278 7 HB2 PRO 2 2HB PRO 2 -10.987 22.978 -1.917 8 HB3 PRO 2 1HB PRO 2 -11.955 21.565 -1.492 9 HG2 PRO 2 2HG PRO 2 -10.334 23.349 0.268 10 HG3 PRO 2 1HG PRO 2 -11.908 22.603 0.576 11 HD2 PRO 2 2HD PRO 2 -9.557 21.644 1.583 12 HD3 PRO 2 1HD PRO 2 -10.975 20.630 1.268 13 H LEU 3 H LEU 3 -8.453 20.623 -3.591 14 HA LEU 3 HA LEU 3 -6.749 23.036 -3.427 15 HB2 LEU 3 2HB LEU 3 -6.125 20.343 -4.639 16 HB3 LEU 3 1HB LEU 3 -5.053 21.722 -4.620 17 HG LEU 3 HG LEU 3 -5.974 20.203 -2.179 18 HD11 LEU 3 1HD1 LEU 3 -3.329 20.224 -3.621 19 HD12 LEU 3 2HD1 LEU 3 -4.498 18.906 -3.626 20 HD13 LEU 3 3HD1 LEU 3 -3.689 19.356 -2.127 21 HD21 LEU 3 3HD2 LEU 3 -4.260 21.515 -1.013 22 HD22 LEU 3 1HD2 LEU 3 -5.491 22.565 -1.708 23 HD23 LEU 3 2HD2 LEU 3 -3.923 22.403 -2.497 24 H GLY 4 H GLY 4 -9.234 21.624 -5.069 25 HA2 GLY 4 2HA GLY 4 -10.215 22.495 -7.025 26 HA3 GLY 4 1HA GLY 4 -8.637 23.132 -7.498 27 H SER 5 H SER 5 -10.584 20.324 -7.213 28 HA SER 5 HA SER 5 -10.640 18.324 -7.989 29 HB2 SER 5 2HB SER 5 -9.510 17.695 -10.134 30 HB3 SER 5 1HB SER 5 -10.695 19.006 -10.260 31 HG SER 5 HG SER 5 -8.296 20.028 -9.765 32 H MET 6 H MET 6 -10.000 16.559 -7.273 33 HA MET 6 HA MET 6 -7.411 16.454 -6.122 34 HB2 MET 6 2HB MET 6 -9.215 15.722 -4.866 35 HB3 MET 6 1HB MET 6 -9.727 14.507 -6.033 36 HG2 MET 6 2HG MET 6 -7.679 13.183 -5.458 37 HG3 MET 6 1HG MET 6 -7.230 14.470 -4.330 38 HE1 MET 6 3HE MET 6 -7.016 12.525 -2.471 39 HE2 MET 6 1HE MET 6 -7.581 11.310 -3.616 40 HE3 MET 6 2HE MET 6 -8.348 11.453 -2.036 41 H ASP 7 H ASP 7 -6.326 16.574 -7.779 42 HA ASP 7 HA ASP 7 -5.415 14.149 -9.111 43 HB2 ASP 7 2HB ASP 7 -7.326 14.846 -10.439 44 HB3 ASP 7 1HB ASP 7 -6.591 16.435 -10.718 45 H ALA 8 H ALA 8 -4.541 16.336 -7.326 46 HA ALA 8 HA ALA 8 -2.671 18.022 -8.741 47 HB1 ALA 8 3HB ALA 8 -3.642 18.719 -6.581 48 HB2 ALA 8 1HB ALA 8 -1.886 18.593 -6.462 49 HB3 ALA 8 2HB ALA 8 -2.910 17.317 -5.803 50 H GLU 9 H GLU 9 -2.804 15.082 -7.090 51 HA GLU 9 HA GLU 9 -0.215 14.261 -6.803 52 HB2 GLU 9 2HB GLU 9 -1.261 11.956 -7.050 53 HB3 GLU 9 1HB GLU 9 -1.837 12.990 -5.762 54 HG2 GLU 9 2HG GLU 9 -3.383 12.963 -8.360 55 HG3 GLU 9 1HG GLU 9 -3.480 11.600 -7.199 56 H SER 10 H SER 10 -2.290 14.108 -9.652 57 HA SER 10 HA SER 10 -0.746 12.405 -11.236 58 HB2 SER 10 2HB SER 10 -2.560 14.646 -11.976 59 HB3 SER 10 1HB SER 10 -2.195 13.217 -12.957 60 HG SER 10 HG SER 10 -4.210 13.176 -11.682 61 H ILE 11 H ILE 11 -0.574 15.770 -10.481 62 HA ILE 11 HA ILE 11 0.949 16.480 -12.782 63 HB ILE 11 HB ILE 11 -0.143 17.930 -10.374 64 HG12 ILE 11 2HG1 ILE 11 -1.667 18.855 -11.708 65 HG13 ILE 11 1HG1 ILE 11 -0.724 18.788 -13.230 66 HG21 ILE 11 1HG2 ILE 11 2.010 18.971 -10.766 67 HG22 ILE 11 2HG2 ILE 11 0.713 20.058 -11.266 68 HG23 ILE 11 3HG2 ILE 11 1.631 19.164 -12.477 69 HD11 ILE 11 3HD1 ILE 11 -2.737 17.500 -13.326 70 HD12 ILE 11 1HD1 ILE 11 -2.418 16.784 -11.742 71 HD13 ILE 11 2HD1 ILE 11 -1.421 16.339 -13.118 72 H ARG 12 H ARG 12 1.559 15.451 -9.540 73 HA ARG 12 HA ARG 12 4.255 16.489 -9.479 74 HB2 ARG 12 2HB ARG 12 2.837 14.573 -7.654 75 HB3 ARG 12 1HB ARG 12 4.386 15.329 -7.340 76 HG2 ARG 12 2HG ARG 12 1.742 16.757 -7.589 77 HG3 ARG 12 1HG ARG 12 2.580 16.385 -6.083 78 HD2 ARG 12 2HD ARG 12 4.476 17.753 -6.835 79 HD3 ARG 12 1HD ARG 12 3.581 18.149 -8.302 80 HE ARG 12 HE ARG 12 2.003 18.823 -6.112 81 HH11 ARG 12 1HH1 ARG 12 4.994 19.828 -7.662 82 HH12 ARG 12 2HH1 ARG 12 4.919 21.441 -7.129 83 HH21 ARG 12 1HH2 ARG 12 1.861 21.012 -5.375 84 HH22 ARG 12 2HH2 ARG 12 3.075 22.137 -5.795 85 H LEU 13 H LEU 13 2.867 13.246 -9.139 86 HA LEU 13 HA LEU 13 3.567 11.201 -9.452 87 HB2 LEU 13 2HB LEU 13 4.185 12.530 -11.952 88 HB3 LEU 13 1HB LEU 13 4.451 10.783 -11.800 89 HG LEU 13 HG LEU 13 1.864 12.338 -11.634 90 HD11 LEU 13 1HD1 LEU 13 2.825 10.153 -13.405 91 HD12 LEU 13 2HD1 LEU 13 2.696 11.866 -13.836 92 HD13 LEU 13 3HD1 LEU 13 1.233 10.918 -13.491 93 HD21 LEU 13 3HD2 LEU 13 0.753 10.149 -11.277 94 HD22 LEU 13 1HD2 LEU 13 1.750 10.622 -9.901 95 HD23 LEU 13 2HD2 LEU 13 2.334 9.413 -11.039 96 H ASN 14 H ASN 14 5.159 9.623 -10.023 97 HA ASN 14 HA ASN 14 7.010 8.512 -9.516 98 HB2 ASN 14 2HB ASN 14 7.716 9.459 -11.666 99 HB3 ASN 14 1HB ASN 14 8.393 10.857 -10.838 100 HD21 ASN 14 1HD2 ASN 14 10.398 10.673 -9.895 101 HD22 ASN 14 2HD2 ASN 14 11.395 9.265 -10.047 102 H ASN 15 H ASN 15 6.915 8.434 -7.385 103 HA ASN 15 HA ASN 15 8.786 10.221 -5.992 104 HB2 ASN 15 2HB ASN 15 6.140 9.203 -4.937 105 HB3 ASN 15 1HB ASN 15 7.369 9.971 -3.962 106 HD21 ASN 15 1HD2 ASN 15 4.924 10.482 -6.411 107 HD22 ASN 15 2HD2 ASN 15 4.894 12.184 -6.292 108 H GLU 16 H GLU 16 10.472 8.801 -6.069 109 HA GLU 16 HA GLU 16 10.198 6.039 -5.392 110 HB2 GLU 16 2HB GLU 16 12.691 7.711 -5.625 111 HB3 GLU 16 1HB GLU 16 12.638 5.960 -5.501 112 HG2 GLU 16 2HG GLU 16 11.407 5.851 -7.606 113 HG3 GLU 16 1HG GLU 16 11.508 7.609 -7.740 114 H ASN 17 H ASN 17 11.311 8.892 -3.682 115 HA ASN 17 HA ASN 17 12.252 7.562 -1.370 116 HB2 ASN 17 2HB ASN 17 11.175 10.379 -1.650 117 HB3 ASN 17 1HB ASN 17 11.915 9.760 -0.181 118 HD21 ASN 17 1HD2 ASN 17 14.149 9.377 -0.154 119 HD22 ASN 17 2HD2 ASN 17 15.184 10.039 -1.362 120 H LEU 18 H LEU 18 9.122 8.614 -2.357 121 HA LEU 18 HA LEU 18 7.785 8.149 0.084 122 HB2 LEU 18 2HB LEU 18 6.911 8.464 -2.751 123 HB3 LEU 18 1HB LEU 18 5.774 7.854 -1.586 124 HG LEU 18 HG LEU 18 5.456 10.247 -1.937 125 HD11 LEU 18 1HD1 LEU 18 5.379 10.913 0.342 126 HD12 LEU 18 2HD1 LEU 18 6.599 9.710 0.768 127 HD13 LEU 18 3HD1 LEU 18 5.012 9.186 0.198 128 HD21 LEU 18 3HD2 LEU 18 7.075 11.865 -1.108 129 HD22 LEU 18 1HD2 LEU 18 7.758 10.985 -2.471 130 HD23 LEU 18 2HD2 LEU 18 8.244 10.576 -0.830 131 H TRP 19 H TRP 19 8.513 6.130 -2.691 132 HA TRP 19 HA TRP 19 6.952 3.923 -1.892 133 HB2 TRP 19 2HB TRP 19 7.811 4.192 -4.212 134 HB3 TRP 19 1HB TRP 19 9.439 3.957 -3.605 135 HD1 TRP 19 HD1 TRP 19 10.247 1.652 -4.309 136 HE1 TRP 19 HE1 TRP 19 9.255 -0.715 -4.395 137 HE3 TRP 19 HE3 TRP 19 5.475 2.677 -2.726 138 HZ2 TRP 19 HZ2 TRP 19 6.804 -1.980 -3.845 139 HZ3 TRP 19 HZ3 TRP 19 3.889 0.828 -2.532 140 HH2 TRP 19 HH2 TRP 19 4.535 -1.449 -3.076 141 H ALA 20 H ALA 20 10.353 4.722 -1.436 142 HA ALA 20 HA ALA 20 10.982 2.379 -0.016 143 HB1 ALA 20 3HB ALA 20 13.011 3.485 0.653 144 HB2 ALA 20 1HB ALA 20 12.359 5.052 0.160 145 HB3 ALA 20 2HB ALA 20 12.680 3.801 -1.050 146 H TRP 21 H TRP 21 9.688 5.479 1.027 147 HA TRP 21 HA TRP 21 9.909 4.926 3.792 148 HB2 TRP 21 2HB TRP 21 9.467 7.219 3.033 149 HB3 TRP 21 1HB TRP 21 7.931 6.712 2.333 150 HD1 TRP 21 HD1 TRP 21 9.600 7.229 5.764 151 HE1 TRP 21 HE1 TRP 21 7.764 7.548 7.536 152 HE3 TRP 21 HE3 TRP 21 5.510 6.318 2.857 153 HZ2 TRP 21 HZ2 TRP 21 4.940 7.427 7.682 154 HZ3 TRP 21 HZ3 TRP 21 3.272 6.440 3.883 155 HH2 TRP 21 HH2 TRP 21 2.998 6.983 6.248 156 H LEU 22 H LEU 22 7.296 4.521 1.458 157 HA LEU 22 HA LEU 22 5.331 3.488 3.120 158 HB2 LEU 22 2HB LEU 22 5.084 4.314 0.757 159 HB3 LEU 22 1HB LEU 22 5.835 2.846 0.200 160 HG LEU 22 HG LEU 22 3.368 2.941 -0.124 161 HD11 LEU 22 1HD1 LEU 22 4.290 0.718 1.669 162 HD12 LEU 22 2HD1 LEU 22 4.415 0.780 -0.091 163 HD13 LEU 22 3HD1 LEU 22 2.830 0.708 0.681 164 HD21 LEU 22 3HD2 LEU 22 1.878 2.633 1.785 165 HD22 LEU 22 1HD2 LEU 22 2.758 4.158 1.887 166 HD23 LEU 22 2HD2 LEU 22 3.249 2.786 2.883 167 H VAL 23 H VAL 23 7.683 1.730 1.117 168 HA VAL 23 HA VAL 23 6.959 -0.851 1.837 169 HB VAL 23 HB VAL 23 9.629 0.261 0.932 170 HG11 VAL 23 1HG1 VAL 23 10.326 -2.012 0.442 171 HG12 VAL 23 2HG1 VAL 23 8.842 -2.645 1.178 172 HG13 VAL 23 3HG1 VAL 23 10.038 -1.798 2.169 173 HG21 VAL 23 3HG2 VAL 23 9.034 -0.774 -1.183 174 HG22 VAL 23 1HG2 VAL 23 7.824 0.400 -0.674 175 HG23 VAL 23 2HG2 VAL 23 7.513 -1.327 -0.489 176 H ARG 24 H ARG 24 9.358 1.266 3.288 177 HA ARG 24 HA ARG 24 10.253 -0.720 5.120 178 HB2 ARG 24 2HB ARG 24 11.697 1.045 4.276 179 HB3 ARG 24 1HB ARG 24 10.679 2.256 5.023 180 HG2 ARG 24 2HG ARG 24 11.327 1.442 7.226 181 HG3 ARG 24 1HG ARG 24 12.348 0.211 6.461 182 HD2 ARG 24 2HD ARG 24 13.660 1.908 5.380 183 HD3 ARG 24 1HD ARG 24 12.593 3.162 5.999 184 HE ARG 24 HE ARG 24 14.076 1.485 7.863 185 HH11 ARG 24 1HH1 ARG 24 13.535 4.663 6.348 186 HH12 ARG 24 2HH1 ARG 24 14.480 5.516 7.459 187 HH21 ARG 24 1HH2 ARG 24 15.415 2.673 9.378 188 HH22 ARG 24 2HH2 ARG 24 15.562 4.383 9.223 189 H LEU 25 H LEU 25 7.874 1.836 5.269 190 HA LEU 25 HA LEU 25 7.506 1.663 8.111 191 HB2 LEU 25 2HB LEU 25 6.881 3.578 6.469 192 HB3 LEU 25 1HB LEU 25 5.509 2.607 6.031 193 HG LEU 25 HG LEU 25 4.830 4.392 7.522 194 HD11 LEU 25 1HD1 LEU 25 3.715 3.211 9.297 195 HD12 LEU 25 2HD1 LEU 25 4.653 1.761 8.924 196 HD13 LEU 25 3HD1 LEU 25 3.548 2.430 7.731 197 HD21 LEU 25 3HD2 LEU 25 5.635 4.566 9.822 198 HD22 LEU 25 1HD2 LEU 25 6.929 4.806 8.650 199 HD23 LEU 25 2HD2 LEU 25 6.796 3.275 9.512 200 H LEU 26 H LEU 26 5.905 0.287 5.278 201 HA LEU 26 HA LEU 26 4.005 -1.220 6.759 202 HB2 LEU 26 2HB LEU 26 4.867 -1.344 3.940 203 HB3 LEU 26 1HB LEU 26 3.513 -2.223 4.646 204 HG LEU 26 HG LEU 26 3.768 0.682 4.061 205 HD11 LEU 26 1HD1 LEU 26 1.741 -1.302 4.265 206 HD12 LEU 26 2HD1 LEU 26 2.541 -0.865 2.710 207 HD13 LEU 26 3HD1 LEU 26 1.418 0.285 3.558 208 HD21 LEU 26 3HD2 LEU 26 3.402 0.714 6.481 209 HD22 LEU 26 1HD2 LEU 26 2.046 -0.402 6.299 210 HD23 LEU 26 2HD2 LEU 26 1.949 1.216 5.625 211 H SER 27 H SER 27 7.254 -1.846 5.705 212 HA SER 27 HA SER 27 7.273 -4.595 5.877 213 HB2 SER 27 2HB SER 27 9.693 -4.425 6.093 214 HB3 SER 27 1HB SER 27 9.196 -3.021 5.149 215 HG SER 27 HG SER 27 9.299 -1.771 7.085 216 H LYS 28 H LYS 28 6.857 -2.231 8.329 217 HA LYS 28 HA LYS 28 7.675 -3.900 10.512 218 HB2 LYS 28 2HB LYS 28 6.235 -1.315 10.730 219 HB3 LYS 28 1HB LYS 28 7.365 -2.053 11.858 220 HG2 LYS 28 2HG LYS 28 9.088 -1.741 9.880 221 HG3 LYS 28 1HG LYS 28 7.828 -0.746 9.289 222 HD2 LYS 28 2HD LYS 28 8.912 -0.408 12.017 223 HD3 LYS 28 1HD LYS 28 9.543 0.486 10.621 224 HE2 LYS 28 2HE LYS 28 7.295 1.449 10.270 225 HE3 LYS 28 1HE LYS 28 6.700 0.544 11.656 226 HZ1 LYS 28 3HZ LYS 28 8.132 1.786 13.090 227 HZ2 LYS 28 1HZ LYS 28 7.176 2.854 12.224 228 HZ3 LYS 28 2HZ LYS 28 8.820 2.637 11.823 229 H ASN 29 H ASN 29 4.976 -3.290 8.581 230 HA ASN 29 HA ASN 29 2.974 -3.989 10.614 231 HB2 ASN 29 2HB ASN 29 2.866 -1.854 8.548 232 HB3 ASN 29 1HB ASN 29 1.528 -2.286 9.459 233 HD21 ASN 29 1HD2 ASN 29 3.173 0.121 9.363 234 HD22 ASN 29 2HD2 ASN 29 3.523 0.571 10.996 235 HA PRO 30 HA PRO 30 2.522 -5.903 6.199 236 HB2 PRO 30 2HB PRO 30 3.023 -8.534 6.673 237 HB3 PRO 30 1HB PRO 30 4.308 -7.402 6.237 238 HG2 PRO 30 2HG PRO 30 3.562 -8.476 8.919 239 HG3 PRO 30 1HG PRO 30 5.171 -8.180 8.238 240 HD2 PRO 30 2HD PRO 30 3.922 -6.502 10.002 241 HD3 PRO 30 1HD PRO 30 5.136 -5.956 8.840 242 H GLU 31 H GLU 31 1.739 -6.719 9.345 243 HA GLU 31 HA GLU 31 -0.479 -8.407 9.073 244 HB2 GLU 31 2HB GLU 31 0.162 -6.474 11.282 245 HB3 GLU 31 1HB GLU 31 -0.832 -7.922 11.386 246 HG2 GLU 31 2HG GLU 31 1.153 -9.291 10.876 247 HG3 GLU 31 1HG GLU 31 2.128 -7.826 10.838 248 H TRP 32 H TRP 32 -0.090 -4.813 9.277 249 HA TRP 32 HA TRP 32 -2.921 -4.420 9.297 250 HB2 TRP 32 2HB TRP 32 -1.564 -2.664 10.289 251 HB3 TRP 32 1HB TRP 32 -0.595 -2.521 8.824 252 HD1 TRP 32 HD1 TRP 32 -4.015 -1.503 10.249 253 HE1 TRP 32 HE1 TRP 32 -5.071 0.238 8.672 254 HE3 TRP 32 HE3 TRP 32 -0.600 -1.641 6.485 255 HZ2 TRP 32 HZ2 TRP 32 -4.506 1.437 6.182 256 HZ3 TRP 32 HZ3 TRP 32 -0.899 -0.230 4.564 257 HH2 TRP 32 HH2 TRP 32 -2.826 1.311 4.391 258 H LEU 33 H LEU 33 -0.342 -4.305 6.970 259 HA LEU 33 HA LEU 33 -1.749 -3.215 4.819 260 HB2 LEU 33 2HB LEU 33 0.741 -3.416 5.159 261 HB3 LEU 33 1HB LEU 33 0.614 -5.077 4.701 262 HG LEU 33 HG LEU 33 1.452 -3.483 2.887 263 HD11 LEU 33 1HD1 LEU 33 0.627 -5.690 2.302 264 HD12 LEU 33 2HD1 LEU 33 0.114 -4.454 1.120 265 HD13 LEU 33 3HD1 LEU 33 -1.015 -5.029 2.347 266 HD21 LEU 33 3HD2 LEU 33 -0.113 -1.688 3.341 267 HD22 LEU 33 1HD2 LEU 33 -1.433 -2.740 2.829 268 HD23 LEU 33 2HD2 LEU 33 -0.197 -2.247 1.667 269 H SER 34 H SER 34 -1.106 -6.587 5.584 270 HA SER 34 HA SER 34 -2.436 -7.648 3.376 271 HB2 SER 34 2HB SER 34 -2.586 -9.755 4.808 272 HB3 SER 34 1HB SER 34 -0.972 -9.078 4.574 273 HG SER 34 HG SER 34 -0.891 -8.491 6.584 274 H ALA 35 H ALA 35 -3.706 -7.011 6.596 275 HA ALA 35 HA ALA 35 -6.330 -7.836 6.341 276 HB1 ALA 35 3HB ALA 35 -5.338 -7.030 8.458 277 HB2 ALA 35 1HB ALA 35 -6.883 -6.259 8.105 278 HB3 ALA 35 2HB ALA 35 -5.379 -5.387 7.824 279 H LYS 36 H LYS 36 -4.904 -4.756 5.364 280 HA LYS 36 HA LYS 36 -7.404 -3.731 4.441 281 HB2 LYS 36 2HB LYS 36 -4.579 -2.703 3.915 282 HB3 LYS 36 1HB LYS 36 -6.044 -1.824 3.496 283 HG2 LYS 36 2HG LYS 36 -5.296 -2.701 6.232 284 HG3 LYS 36 1HG LYS 36 -5.001 -1.105 5.548 285 HD2 LYS 36 2HD LYS 36 -7.746 -2.213 5.447 286 HD3 LYS 36 1HD LYS 36 -7.165 -1.553 7.003 287 HE2 LYS 36 2HE LYS 36 -6.601 0.489 5.538 288 HE3 LYS 36 1HE LYS 36 -7.686 -0.262 4.360 289 HZ1 LYS 36 3HZ LYS 36 -8.342 0.339 7.160 290 HZ2 LYS 36 1HZ LYS 36 -9.431 -0.292 6.037 291 HZ3 LYS 36 2HZ LYS 36 -8.873 1.297 5.869 292 H LEU 37 H LEU 37 -4.788 -5.430 2.959 293 HA LEU 37 HA LEU 37 -5.539 -5.237 0.271 294 HB2 LEU 37 2HB LEU 37 -4.432 -7.647 1.666 295 HB3 LEU 37 1HB LEU 37 -4.496 -7.382 -0.057 296 HG LEU 37 HG LEU 37 -2.830 -5.888 1.950 297 HD11 LEU 37 1HD1 LEU 37 -0.955 -6.986 0.877 298 HD12 LEU 37 2HD1 LEU 37 -2.043 -7.776 -0.254 299 HD13 LEU 37 3HD1 LEU 37 -2.105 -8.196 1.452 300 HD21 LEU 37 3HD2 LEU 37 -1.809 -4.759 0.036 301 HD22 LEU 37 1HD2 LEU 37 -3.531 -4.406 0.120 302 HD23 LEU 37 2HD2 LEU 37 -2.926 -5.574 -1.057 303 H ARG 38 H ARG 38 -6.796 -7.119 2.875 304 HA ARG 38 HA ARG 38 -8.087 -9.106 1.446 305 HB2 ARG 38 2HB ARG 38 -8.975 -7.954 4.046 306 HB3 ARG 38 1HB ARG 38 -9.390 -9.538 3.399 307 HG2 ARG 38 2HG ARG 38 -6.787 -9.929 3.392 308 HG3 ARG 38 1HG ARG 38 -6.777 -8.527 4.363 309 HD2 ARG 38 2HD ARG 38 -6.829 -10.417 5.753 310 HD3 ARG 38 1HD ARG 38 -8.335 -9.456 5.869 311 HE ARG 38 HE ARG 38 -8.784 -11.417 3.997 312 HH11 ARG 38 1HH1 ARG 38 -8.098 -11.323 7.467 313 HH12 ARG 38 2HH1 ARG 38 -8.949 -12.758 7.817 314 HH21 ARG 38 1HH2 ARG 38 -9.914 -13.407 4.472 315 HH22 ARG 38 2HH2 ARG 38 -9.979 -13.984 6.070 316 H SER 39 H SER 39 -9.106 -5.865 2.277 317 HA SER 39 HA SER 39 -11.764 -6.356 1.287 318 HB2 SER 39 2HB SER 39 -11.480 -4.953 3.275 319 HB3 SER 39 1HB SER 39 -10.504 -3.833 2.321 320 HG SER 39 HG SER 39 -12.767 -3.277 2.646 321 H PHE 40 H PHE 40 -8.830 -4.644 0.319 322 HA PHE 40 HA PHE 40 -10.096 -3.437 -1.984 323 HB2 PHE 40 2HB PHE 40 -7.215 -3.690 -1.222 324 HB3 PHE 40 1HB PHE 40 -7.814 -2.829 -2.645 325 HD1 PHE 40 HD1 PHE 40 -9.650 -1.062 -2.181 326 HD2 PHE 40 HD2 PHE 40 -7.062 -2.500 0.871 327 HE1 PHE 40 HE1 PHE 40 -10.154 0.926 -0.809 328 HE2 PHE 40 HE2 PHE 40 -7.556 -0.531 2.226 329 HZ PHE 40 HZ PHE 40 -9.100 1.192 1.396 330 H LEU 41 H LEU 41 -7.874 -6.299 -1.658 331 HA LEU 41 HA LEU 41 -8.331 -6.793 -4.479 332 HB2 LEU 41 2HB LEU 41 -6.448 -7.992 -2.506 333 HB3 LEU 41 1HB LEU 41 -6.465 -8.304 -4.234 334 HG LEU 41 HG LEU 41 -4.724 -6.934 -3.951 335 HD11 LEU 41 1HD1 LEU 41 -6.972 -5.063 -4.496 336 HD12 LEU 41 2HD1 LEU 41 -6.081 -6.017 -5.681 337 HD13 LEU 41 3HD1 LEU 41 -5.280 -4.702 -4.799 338 HD21 LEU 41 3HD2 LEU 41 -4.928 -6.394 -1.663 339 HD22 LEU 41 1HD2 LEU 41 -6.242 -5.273 -2.006 340 HD23 LEU 41 2HD2 LEU 41 -4.612 -4.925 -2.585 341 HA PRO 42 HA PRO 42 -11.054 -10.043 -2.882 342 HB2 PRO 42 2HB PRO 42 -12.370 -10.479 -5.184 343 HB3 PRO 42 1HB PRO 42 -12.703 -9.050 -4.202 344 HG2 PRO 42 2HG PRO 42 -11.037 -9.299 -6.675 345 HG3 PRO 42 1HG PRO 42 -12.177 -8.019 -6.219 346 HD2 PRO 42 2HD PRO 42 -9.450 -7.820 -5.957 347 HD3 PRO 42 1HD PRO 42 -10.603 -6.918 -4.970 348 H THR 43 H THR 43 -8.435 -10.079 -4.818 349 HA THR 43 HA THR 43 -8.617 -12.889 -5.632 350 HB THR 43 HB THR 43 -6.735 -12.185 -7.159 351 HG1 THR 43 HG1 THR 43 -5.915 -10.345 -6.343 352 HG21 THR 43 3HG2 THR 43 -8.232 -10.925 -8.660 353 HG22 THR 43 1HG2 THR 43 -9.274 -10.621 -7.261 354 HG23 THR 43 2HG2 THR 43 -9.088 -12.270 -7.864 355 H MET 44 H MET 44 -7.459 -11.036 -3.198 356 HA MET 44 HA MET 44 -4.751 -11.624 -2.955 357 HB2 MET 44 2HB MET 44 -5.823 -9.751 -2.063 358 HB3 MET 44 1HB MET 44 -6.824 -10.769 -1.023 359 HG2 MET 44 2HG MET 44 -5.128 -9.655 -0.048 360 HG3 MET 44 1HG MET 44 -4.905 -11.401 0.182 361 HE1 MET 44 3HE MET 44 -2.304 -8.868 -2.772 362 HE2 MET 44 1HE MET 44 -3.558 -8.173 -1.749 363 HE3 MET 44 2HE MET 44 -3.995 -9.243 -3.081 364 H ASP 45 H ASP 45 -4.074 -13.567 -2.937 365 HA ASP 45 HA ASP 45 -4.839 -15.044 -0.560 366 HB2 ASP 45 2HB ASP 45 -3.711 -17.063 -1.461 367 HB3 ASP 45 1HB ASP 45 -4.918 -16.508 -2.600 368 H LEU 46 H LEU 46 -3.886 -13.745 0.744 369 HA LEU 46 HA LEU 46 -1.197 -12.805 0.309 370 HB2 LEU 46 2HB LEU 46 -1.594 -11.431 2.328 371 HB3 LEU 46 1HB LEU 46 -2.835 -11.264 1.102 372 HG LEU 46 HG LEU 46 -4.137 -12.993 2.526 373 HD11 LEU 46 1HD1 LEU 46 -2.458 -13.611 4.085 374 HD12 LEU 46 2HD1 LEU 46 -3.760 -12.789 4.945 375 HD13 LEU 46 3HD1 LEU 46 -2.251 -11.943 4.606 376 HD21 LEU 46 3HD2 LEU 46 -5.095 -11.143 3.867 377 HD22 LEU 46 1HD2 LEU 46 -4.929 -10.798 2.144 378 HD23 LEU 46 2HD2 LEU 46 -3.781 -10.114 3.279 379 H ASP 47 H ASP 47 -2.278 -15.576 1.277 380 HA ASP 47 HA ASP 47 -0.668 -16.084 3.587 381 HB2 ASP 47 2HB ASP 47 -2.822 -17.235 3.251 382 HB3 ASP 47 1HB ASP 47 -2.184 -17.999 1.808 383 H CYS 48 H CYS 48 0.013 -15.838 0.413 384 HA CYS 48 HA CYS 48 2.132 -17.807 0.524 385 HB2 CYS 48 2HB CYS 48 2.653 -17.128 -1.854 386 HB3 CYS 48 1HB CYS 48 1.101 -17.917 -1.598 387 HG CYS 48 HG CYS 48 -0.411 -15.987 -2.405 388 H SER 49 H SER 49 3.224 -16.819 2.186 389 HA SER 49 HA SER 49 4.689 -14.424 1.461 390 HB2 SER 49 2HB SER 49 4.678 -15.966 4.075 391 HB3 SER 49 1HB SER 49 5.341 -14.353 3.803 392 HG SER 49 HG SER 49 2.984 -14.009 3.018 393 H TYR 50 H TYR 50 5.835 -15.405 -0.179 394 HA TYR 50 HA TYR 50 7.664 -17.528 0.351 395 HB2 TYR 50 2HB TYR 50 8.695 -16.551 -1.859 396 HB3 TYR 50 1HB TYR 50 7.256 -17.592 -1.925 397 HD1 TYR 50 HD1 TYR 50 8.170 -13.957 -1.560 398 HD2 TYR 50 HD2 TYR 50 5.582 -16.805 -3.353 399 HE1 TYR 50 HE1 TYR 50 7.104 -12.157 -2.888 400 HE2 TYR 50 HE2 TYR 50 4.504 -15.015 -4.653 401 HH TYR 50 HH TYR 50 4.193 -12.615 -4.522 402 H GLU 51 H GLU 51 7.730 -14.284 0.689 403 HA GLU 51 HA GLU 51 10.423 -14.284 1.647 404 HB2 GLU 51 2HB GLU 51 8.964 -12.460 -0.225 405 HB3 GLU 51 1HB GLU 51 10.276 -11.929 0.774 406 HG2 GLU 51 2HG GLU 51 11.811 -13.432 -0.354 407 HG3 GLU 51 1HG GLU 51 10.480 -14.157 -1.255 408 HA PRO 52 HA PRO 52 8.197 -12.182 5.050 409 HB2 PRO 52 2HB PRO 52 10.423 -10.244 5.147 410 HB3 PRO 52 1HB PRO 52 9.881 -11.364 6.400 411 HG2 PRO 52 2HG PRO 52 12.155 -11.695 5.133 412 HG3 PRO 52 1HG PRO 52 11.131 -13.093 5.551 413 HD2 PRO 52 2HD PRO 52 11.460 -11.695 2.915 414 HD3 PRO 52 1HD PRO 52 11.388 -13.438 3.255 415 H SER 53 H SER 53 8.878 -9.370 5.513 416 HA SER 53 HA SER 53 6.875 -8.185 3.805 417 HB2 SER 53 2HB SER 53 8.534 -6.861 5.964 418 HB3 SER 53 1HB SER 53 6.974 -6.360 5.293 419 HG SER 53 HG SER 53 6.293 -8.568 6.020 420 H ASN 54 H ASN 54 9.065 -8.992 2.407 421 HA ASN 54 HA ASN 54 11.110 -7.175 1.870 422 HB2 ASN 54 2HB ASN 54 9.963 -9.614 0.711 423 HB3 ASN 54 1HB ASN 54 10.995 -8.679 -0.345 424 HD21 ASN 54 1HD2 ASN 54 12.448 -10.436 -0.287 425 HD22 ASN 54 2HD2 ASN 54 13.505 -10.731 1.041 426 HA PRO 55 HA PRO 55 9.542 -3.928 -0.583 427 HB2 PRO 55 2HB PRO 55 11.329 -3.940 -2.708 428 HB3 PRO 55 1HB PRO 55 11.598 -3.157 -1.148 429 HG2 PRO 55 2HG PRO 55 12.516 -5.833 -2.116 430 HG3 PRO 55 1HG PRO 55 13.400 -4.629 -1.163 431 HD2 PRO 55 2HD PRO 55 12.378 -6.771 0.006 432 HD3 PRO 55 1HD PRO 55 12.279 -5.183 0.797 433 H GLU 56 H GLU 56 10.402 -6.748 -2.589 434 HA GLU 56 HA GLU 56 8.683 -5.923 -4.706 435 HB2 GLU 56 2HB GLU 56 10.023 -8.539 -4.135 436 HB3 GLU 56 1HB GLU 56 9.202 -8.147 -5.648 437 HG2 GLU 56 2HG GLU 56 10.745 -6.359 -6.066 438 HG3 GLU 56 1HG GLU 56 11.530 -6.629 -4.515 439 H VAL 57 H VAL 57 8.446 -7.949 -1.942 440 HA VAL 57 HA VAL 57 6.047 -9.286 -2.550 441 HB VAL 57 HB VAL 57 7.169 -8.474 0.149 442 HG11 VAL 57 1HG1 VAL 57 4.777 -9.001 0.297 443 HG12 VAL 57 2HG1 VAL 57 5.769 -10.232 1.082 444 HG13 VAL 57 3HG1 VAL 57 5.068 -10.549 -0.507 445 HG21 VAL 57 3HG2 VAL 57 8.019 -10.702 0.276 446 HG22 VAL 57 1HG2 VAL 57 8.646 -9.906 -1.164 447 HG23 VAL 57 2HG2 VAL 57 7.340 -11.095 -1.298 448 H ILE 58 H ILE 58 6.763 -6.448 -0.633 449 HA ILE 58 HA ILE 58 4.203 -5.520 -0.125 450 HB ILE 58 HB ILE 58 6.753 -3.946 -0.574 451 HG12 ILE 58 2HG1 ILE 58 6.926 -5.550 1.274 452 HG13 ILE 58 1HG1 ILE 58 6.925 -3.884 1.835 453 HG21 ILE 58 1HG2 ILE 58 4.199 -3.042 0.716 454 HG22 ILE 58 2HG2 ILE 58 4.854 -2.473 -0.817 455 HG23 ILE 58 3HG2 ILE 58 5.709 -2.129 0.702 456 HD11 ILE 58 3HD1 ILE 58 4.604 -5.800 1.990 457 HD12 ILE 58 1HD1 ILE 58 4.589 -4.109 2.508 458 HD13 ILE 58 2HD1 ILE 58 5.635 -5.256 3.322 459 H HIS 59 H HIS 59 6.349 -4.985 -2.872 460 HA HIS 59 HA HIS 59 4.820 -3.112 -4.263 461 HB2 HIS 59 2HB HIS 59 7.226 -3.717 -4.823 462 HB3 HIS 59 1HB HIS 59 6.611 -5.178 -5.561 463 HD1 HIS 59 HD1 HIS 59 5.796 -5.010 -7.975 464 HD2 HIS 59 HD2 HIS 59 6.385 -1.293 -6.213 465 HE1 HIS 59 HE1 HIS 59 5.528 -3.356 -9.798 466 HE2 HIS 59 HE2 HIS 59 6.221 -1.188 -8.783 467 H ARG 60 H ARG 60 4.499 -6.627 -4.230 468 HA ARG 60 HA ARG 60 2.792 -6.842 -6.529 469 HB2 ARG 60 2HB ARG 60 2.278 -8.561 -4.126 470 HB3 ARG 60 1HB ARG 60 2.194 -8.993 -5.812 471 HG2 ARG 60 2HG ARG 60 4.700 -8.642 -4.192 472 HG3 ARG 60 1HG ARG 60 3.936 -10.171 -4.585 473 HD2 ARG 60 2HD ARG 60 4.313 -9.571 -7.006 474 HD3 ARG 60 1HD ARG 60 5.326 -8.245 -6.421 475 HE ARG 60 HE ARG 60 5.858 -10.910 -5.395 476 HH11 ARG 60 1HH1 ARG 60 6.951 -8.304 -7.549 477 HH12 ARG 60 2HH1 ARG 60 8.500 -8.983 -7.763 478 HH21 ARG 60 1HH2 ARG 60 8.051 -11.780 -5.704 479 HH22 ARG 60 2HH2 ARG 60 9.126 -10.921 -6.677 480 H GLN 61 H GLN 61 2.311 -6.330 -3.145 481 HA GLN 61 HA GLN 61 -0.474 -6.691 -2.984 482 HB2 GLN 61 2HB GLN 61 1.477 -5.287 -1.178 483 HB3 GLN 61 1HB GLN 61 -0.129 -5.869 -0.730 484 HG2 GLN 61 2HG GLN 61 0.511 -8.092 -1.252 485 HG3 GLN 61 1HG GLN 61 2.107 -7.585 -1.743 486 HE21 GLN 61 1HE2 GLN 61 1.286 -9.442 0.313 487 HE22 GLN 61 2HE2 GLN 61 1.984 -8.906 1.800 488 H LEU 62 H LEU 62 1.623 -3.975 -3.022 489 HA LEU 62 HA LEU 62 -0.489 -2.062 -2.844 490 HB2 LEU 62 2HB LEU 62 2.466 -1.836 -3.245 491 HB3 LEU 62 1HB LEU 62 1.459 -0.426 -3.442 492 HG LEU 62 HG LEU 62 2.551 -0.509 -1.214 493 HD11 LEU 62 1HD1 LEU 62 -0.419 -0.833 -1.021 494 HD12 LEU 62 2HD1 LEU 62 0.436 0.657 -1.426 495 HD13 LEU 62 3HD1 LEU 62 0.628 -0.068 0.170 496 HD21 LEU 62 3HD2 LEU 62 1.847 -2.104 0.482 497 HD22 LEU 62 1HD2 LEU 62 2.613 -2.924 -0.877 498 HD23 LEU 62 2HD2 LEU 62 0.857 -2.947 -0.709 499 H ASN 63 H ASN 63 1.313 -3.497 -5.560 500 HA ASN 63 HA ASN 63 0.672 -1.702 -7.562 501 HB2 ASN 63 2HB ASN 63 2.270 -3.737 -7.493 502 HB3 ASN 63 1HB ASN 63 0.827 -4.665 -7.765 503 HD21 ASN 63 1HD2 ASN 63 1.393 -5.394 -9.724 504 HD22 ASN 63 2HD2 ASN 63 1.398 -4.321 -11.079 505 H ARG 64 H ARG 64 -0.856 -4.586 -6.341 506 HA ARG 64 HA ARG 64 -3.015 -4.852 -8.058 507 HB2 ARG 64 2HB ARG 64 -2.412 -5.775 -5.299 508 HB3 ARG 64 1HB ARG 64 -4.039 -5.977 -5.919 509 HG2 ARG 64 2HG ARG 64 -1.625 -6.973 -7.386 510 HG3 ARG 64 1HG ARG 64 -2.502 -7.938 -6.189 511 HD2 ARG 64 2HD ARG 64 -4.516 -7.704 -7.474 512 HD3 ARG 64 1HD ARG 64 -3.701 -6.690 -8.658 513 HE ARG 64 HE ARG 64 -2.170 -8.873 -8.692 514 HH11 ARG 64 1HH1 ARG 64 -5.698 -8.560 -9.008 515 HH12 ARG 64 2HH1 ARG 64 -5.855 -9.900 -10.047 516 HH21 ARG 64 1HH2 ARG 64 -2.420 -10.712 -10.130 517 HH22 ARG 64 2HH2 ARG 64 -3.964 -11.155 -10.672 518 H LEU 65 H LEU 65 -2.631 -2.719 -5.340 519 HA LEU 65 HA LEU 65 -5.383 -2.106 -4.928 520 HB2 LEU 65 2HB LEU 65 -2.925 -0.493 -4.365 521 HB3 LEU 65 1HB LEU 65 -4.531 -0.129 -3.759 522 HG LEU 65 HG LEU 65 -2.939 -2.603 -3.082 523 HD11 LEU 65 1HD1 LEU 65 -3.646 -0.181 -1.520 524 HD12 LEU 65 2HD1 LEU 65 -2.052 -0.478 -2.226 525 HD13 LEU 65 3HD1 LEU 65 -2.675 -1.544 -0.943 526 HD21 LEU 65 3HD2 LEU 65 -5.346 -2.938 -3.002 527 HD22 LEU 65 1HD2 LEU 65 -5.507 -1.500 -1.995 528 HD23 LEU 65 2HD2 LEU 65 -4.636 -2.905 -1.387 529 H PHE 66 H PHE 66 -2.856 -0.688 -6.927 530 HA PHE 66 HA PHE 66 -4.519 1.446 -7.816 531 HB2 PHE 66 2HB PHE 66 -1.980 1.419 -7.940 532 HB3 PHE 66 1HB PHE 66 -2.134 0.291 -9.282 533 HD1 PHE 66 HD2 PHE 66 -3.127 1.045 -11.431 534 HD2 PHE 66 HD1 PHE 66 -2.406 3.739 -8.214 535 HE1 PHE 66 HE2 PHE 66 -3.342 2.941 -12.981 536 HE2 PHE 66 HE1 PHE 66 -2.612 5.639 -9.758 537 HZ PHE 66 HZ PHE 66 -3.082 5.246 -12.142 538 H ALA 67 H ALA 67 -3.944 -1.834 -8.775 539 HA ALA 67 HA ALA 67 -5.295 -1.754 -11.258 540 HB1 ALA 67 3HB ALA 67 -4.891 -4.112 -9.409 541 HB2 ALA 67 1HB ALA 67 -3.766 -3.589 -10.662 542 HB3 ALA 67 2HB ALA 67 -5.359 -4.202 -11.106 543 H GLN 68 H GLN 68 -6.460 -1.758 -7.947 544 HA GLN 68 HA GLN 68 -9.085 -2.579 -8.610 545 HB2 GLN 68 2HB GLN 68 -7.831 -1.167 -6.289 546 HB3 GLN 68 1HB GLN 68 -9.537 -1.464 -6.371 547 HG2 GLN 68 2HG GLN 68 -7.351 -3.241 -5.490 548 HG3 GLN 68 1HG GLN 68 -9.004 -3.175 -5.126 549 HE21 GLN 68 1HE2 GLN 68 -6.838 -4.581 -7.417 550 HE22 GLN 68 2HE2 GLN 68 -7.939 -5.751 -8.038 551 H GLY 69 H GLY 69 -7.320 0.406 -7.934 552 HA2 GLY 69 2HA GLY 69 -9.055 2.154 -9.507 553 HA3 GLY 69 1HA GLY 69 -9.306 2.175 -7.806 554 H MET 70 H MET 70 -7.949 3.865 -9.977 555 HA MET 70 HA MET 70 -5.435 4.524 -8.811 556 HB2 MET 70 2HB MET 70 -6.115 5.284 -11.083 557 HB3 MET 70 1HB MET 70 -7.404 6.241 -10.369 558 HG2 MET 70 2HG MET 70 -5.759 7.657 -9.271 559 HG3 MET 70 1HG MET 70 -4.455 6.678 -9.930 560 HE1 MET 70 3HE MET 70 -7.257 9.321 -12.494 561 HE2 MET 70 1HE MET 70 -7.369 9.183 -10.741 562 HE3 MET 70 2HE MET 70 -7.799 7.811 -11.768 563 H ALA 71 H ALA 71 -8.723 5.159 -8.264 564 HA ALA 71 HA ALA 71 -8.434 7.188 -6.229 565 HB1 ALA 71 3HB ALA 71 -10.409 7.139 -7.615 566 HB2 ALA 71 1HB ALA 71 -10.878 6.771 -5.948 567 HB3 ALA 71 2HB ALA 71 -10.704 5.471 -7.153 568 H THR 72 H THR 72 -8.882 3.690 -6.462 569 HA THR 72 HA THR 72 -9.341 3.146 -3.774 570 HB THR 72 HB THR 72 -8.002 1.450 -5.924 571 HG1 THR 72 HG1 THR 72 -10.289 0.461 -5.570 572 HG21 THR 72 3HG2 THR 72 -7.382 0.516 -3.693 573 HG22 THR 72 1HG2 THR 72 -8.602 -0.536 -4.396 574 HG23 THR 72 2HG2 THR 72 -9.054 0.605 -3.173 575 H TRP 73 H TRP 73 -6.363 3.603 -5.605 576 HA TRP 73 HA TRP 73 -4.548 3.055 -3.551 577 HB2 TRP 73 2HB TRP 73 -3.906 3.332 -5.938 578 HB3 TRP 73 1HB TRP 73 -4.267 5.049 -5.826 579 HD1 TRP 73 HD1 TRP 73 -2.292 6.594 -5.082 580 HE1 TRP 73 HE1 TRP 73 0.078 6.188 -4.173 581 HE3 TRP 73 HE3 TRP 73 -2.513 1.551 -4.411 582 HZ2 TRP 73 HZ2 TRP 73 1.639 4.063 -3.306 583 HZ3 TRP 73 HZ3 TRP 73 -0.522 0.414 -3.545 584 HH2 TRP 73 HH2 TRP 73 1.513 1.651 -3.004 585 H LYS 74 H LYS 74 -5.853 6.235 -4.608 586 HA LYS 74 HA LYS 74 -4.805 7.843 -2.644 587 HB2 LYS 74 2HB LYS 74 -7.549 8.159 -3.901 588 HB3 LYS 74 1HB LYS 74 -6.555 9.444 -3.232 589 HG2 LYS 74 2HG LYS 74 -4.891 8.966 -4.958 590 HG3 LYS 74 1HG LYS 74 -5.988 7.794 -5.649 591 HD2 LYS 74 2HD LYS 74 -7.681 9.574 -5.878 592 HD3 LYS 74 1HD LYS 74 -6.470 10.726 -5.293 593 HE2 LYS 74 2HE LYS 74 -4.983 10.005 -7.093 594 HE3 LYS 74 1HE LYS 74 -6.296 8.998 -7.713 595 HZ1 LYS 74 3HZ LYS 74 -6.186 11.128 -8.857 596 HZ2 LYS 74 1HZ LYS 74 -6.339 11.920 -7.369 597 HZ3 LYS 74 2HZ LYS 74 -7.631 10.989 -7.988 598 H SER 75 H SER 75 -7.906 6.011 -2.484 599 HA SER 75 HA SER 75 -8.695 6.948 -0.056 600 HB2 SER 75 2HB SER 75 -9.210 4.374 -1.510 601 HB3 SER 75 1HB SER 75 -10.155 5.039 -0.184 602 HG SER 75 HG SER 75 -9.918 5.930 -2.833 603 H PHE 76 H PHE 76 -6.877 4.059 -1.046 604 HA PHE 76 HA PHE 76 -6.625 2.760 1.381 605 HB2 PHE 76 2HB PHE 76 -6.029 1.694 -0.725 606 HB3 PHE 76 1HB PHE 76 -4.744 2.859 -0.976 607 HD1 PHE 76 HD2 PHE 76 -5.817 0.014 1.068 608 HD2 PHE 76 HD1 PHE 76 -2.631 2.626 0.057 609 HE1 PHE 76 HE2 PHE 76 -4.249 -1.442 2.259 610 HE2 PHE 76 HE1 PHE 76 -1.055 1.177 1.255 611 HZ PHE 76 HZ PHE 76 -1.873 -0.861 2.355 612 H ILE 77 H ILE 77 -4.565 5.174 -0.135 613 HA ILE 77 HA ILE 77 -2.589 5.129 1.845 614 HB ILE 77 HB ILE 77 -3.298 7.371 -0.055 615 HG12 ILE 77 2HG1 ILE 77 -2.683 5.292 -1.215 616 HG13 ILE 77 1HG1 ILE 77 -1.444 6.519 -1.425 617 HG21 ILE 77 1HG2 ILE 77 -0.709 6.924 1.423 618 HG22 ILE 77 2HG2 ILE 77 -1.960 8.050 1.930 619 HG23 ILE 77 3HG2 ILE 77 -1.146 8.283 0.378 620 HD11 ILE 77 3HD1 ILE 77 -1.310 4.180 0.481 621 HD12 ILE 77 1HD1 ILE 77 -0.069 5.411 0.271 622 HD13 ILE 77 2HD1 ILE 77 -0.464 4.322 -1.057 623 H ASN 78 H ASN 78 -5.596 6.946 1.642 624 HA ASN 78 HA ASN 78 -5.023 8.568 3.910 625 HB2 ASN 78 2HB ASN 78 -6.903 9.193 2.449 626 HB3 ASN 78 1HB ASN 78 -7.742 7.701 2.868 627 HD21 ASN 78 1HD2 ASN 78 -6.830 10.889 3.988 628 HD22 ASN 78 2HD2 ASN 78 -7.847 10.895 5.373 629 H ASP 79 H ASP 79 -6.582 5.395 3.562 630 HA ASP 79 HA ASP 79 -7.036 5.030 6.325 631 HB2 ASP 79 2HB ASP 79 -6.649 2.910 4.150 632 HB3 ASP 79 1HB ASP 79 -6.941 2.603 5.835 633 H LEU 80 H LEU 80 -4.334 4.373 4.273 634 HA LEU 80 HA LEU 80 -2.582 2.959 5.881 635 HB2 LEU 80 2HB LEU 80 -2.338 3.531 3.490 636 HB3 LEU 80 1HB LEU 80 -2.178 5.167 3.957 637 HG LEU 80 HG LEU 80 -0.082 4.070 3.114 638 HD11 LEU 80 1HD1 LEU 80 0.107 5.285 5.855 639 HD12 LEU 80 2HD1 LEU 80 0.102 6.149 4.315 640 HD13 LEU 80 3HD1 LEU 80 1.442 5.076 4.720 641 HD21 LEU 80 3HD2 LEU 80 1.164 2.731 4.676 642 HD22 LEU 80 1HD2 LEU 80 -0.364 1.990 4.152 643 HD23 LEU 80 2HD2 LEU 80 -0.266 2.756 5.745 644 H CYS 81 H CYS 81 -2.741 6.491 5.498 645 HA CYS 81 HA CYS 81 -1.012 6.921 7.653 646 HB2 CYS 81 2HB CYS 81 -1.651 9.281 7.427 647 HB3 CYS 81 1HB CYS 81 -1.169 8.539 5.906 648 HG CYS 81 HG CYS 81 -4.399 8.298 6.030 649 H PHE 82 H PHE 82 -4.469 6.805 7.403 650 HA PHE 82 HA PHE 82 -5.110 8.000 9.880 651 HB2 PHE 82 2HB PHE 82 -6.645 7.613 7.870 652 HB3 PHE 82 1HB PHE 82 -6.788 5.972 8.444 653 HD1 PHE 82 HD1 PHE 82 -7.605 9.452 9.177 654 HD2 PHE 82 HD2 PHE 82 -8.095 5.410 10.383 655 HE1 PHE 82 HE1 PHE 82 -9.430 10.128 10.672 656 HE2 PHE 82 HE2 PHE 82 -9.923 6.078 11.889 657 HZ PHE 82 HZ PHE 82 -10.591 8.443 12.031 658 H GLU 83 H GLU 83 -4.833 4.553 8.959 659 HA GLU 83 HA GLU 83 -5.640 3.807 11.589 660 HB2 GLU 83 2HB GLU 83 -4.509 1.912 9.557 661 HB3 GLU 83 1HB GLU 83 -5.534 1.534 10.932 662 HG2 GLU 83 2HG GLU 83 -7.148 3.243 9.580 663 HG3 GLU 83 1HG GLU 83 -6.158 2.642 8.320 664 H LEU 84 H LEU 84 -2.627 4.247 9.961 665 HA LEU 84 HA LEU 84 -1.186 2.783 11.994 666 HB2 LEU 84 2HB LEU 84 -0.135 4.398 9.673 667 HB3 LEU 84 1HB LEU 84 0.839 3.405 10.738 668 HG LEU 84 HG LEU 84 -1.288 2.404 8.838 669 HD11 LEU 84 1HD1 LEU 84 0.564 1.399 7.614 670 HD12 LEU 84 2HD1 LEU 84 1.701 2.112 8.750 671 HD13 LEU 84 3HD1 LEU 84 0.739 3.150 7.710 672 HD21 LEU 84 3HD2 LEU 84 -0.523 0.168 9.448 673 HD22 LEU 84 1HD2 LEU 84 -1.192 1.014 10.841 674 HD23 LEU 84 2HD2 LEU 84 0.559 0.855 10.661 675 H ASP 85 H ASP 85 -1.783 6.167 11.129 676 HA ASP 85 HA ASP 85 -1.046 6.815 13.797 677 HB2 ASP 85 2HB ASP 85 1.103 7.043 12.638 678 HB3 ASP 85 1HB ASP 85 0.381 8.150 11.482 679 H VAL 86 H VAL 86 -1.123 9.345 11.397 680 HA VAL 86 HA VAL 86 -3.960 9.802 11.807 681 HB VAL 86 HB VAL 86 -3.588 12.235 12.237 682 HG11 VAL 86 1HG1 VAL 86 -2.865 12.127 14.569 683 HG12 VAL 86 2HG1 VAL 86 -2.260 10.492 14.297 684 HG13 VAL 86 3HG1 VAL 86 -3.985 10.828 14.159 685 HG21 VAL 86 3HG2 VAL 86 -1.369 13.070 12.903 686 HG22 VAL 86 1HG2 VAL 86 -1.385 12.494 11.235 687 HG23 VAL 86 2HG2 VAL 86 -0.669 11.501 12.504 688 HA PRO 87 HA PRO 87 -3.701 11.138 7.471 689 HB2 PRO 87 2HB PRO 87 -5.018 13.683 8.313 690 HB3 PRO 87 1HB PRO 87 -5.489 12.569 7.025 691 HG2 PRO 87 2HG PRO 87 -6.873 12.649 9.279 692 HG3 PRO 87 1HG PRO 87 -6.524 11.100 8.488 693 HD2 PRO 87 2HD PRO 87 -5.246 12.323 10.903 694 HD3 PRO 87 1HD PRO 87 -5.658 10.625 10.585 695 H LEU 88 H LEU 88 -1.783 11.792 6.827 696 HA LEU 88 HA LEU 88 -0.226 13.544 8.530 697 HB2 LEU 88 2HB LEU 88 0.550 11.974 6.092 698 HB3 LEU 88 1HB LEU 88 1.661 12.850 7.122 699 HG LEU 88 HG LEU 88 -0.022 10.503 8.002 700 HD11 LEU 88 1HD1 LEU 88 2.913 10.637 7.322 701 HD12 LEU 88 2HD1 LEU 88 1.656 9.832 6.379 702 HD13 LEU 88 3HD1 LEU 88 2.061 9.240 7.987 703 HD21 LEU 88 3HD2 LEU 88 1.437 10.519 9.979 704 HD22 LEU 88 1HD2 LEU 88 0.508 12.013 9.841 705 HD23 LEU 88 2HD2 LEU 88 2.212 11.987 9.384 706 H ASP 89 H ASP 89 -1.985 13.868 5.571 707 HA ASP 89 HA ASP 89 -2.267 15.511 4.084 708 HB2 ASP 89 2HB ASP 89 -1.895 17.234 5.865 709 HB3 ASP 89 1HB ASP 89 -0.162 17.113 5.608 710 H MET 90 H MET 90 0.131 13.712 4.604 711 HA MET 90 HA MET 90 1.746 14.401 2.266 712 HB2 MET 90 2HB MET 90 2.880 14.100 4.498 713 HB3 MET 90 1HB MET 90 2.325 12.442 4.505 714 HG2 MET 90 2HG MET 90 3.676 11.964 2.534 715 HG3 MET 90 1HG MET 90 4.211 13.643 2.487 716 HE1 MET 90 3HE MET 90 6.718 12.809 2.435 717 HE2 MET 90 1HE MET 90 6.212 11.124 2.539 718 HE3 MET 90 2HE MET 90 7.431 11.749 3.650 719 H GLU 91 H GLU 91 -0.959 12.815 2.912 720 HA GLU 91 HA GLU 91 -0.395 10.219 1.958 721 HB2 GLU 91 2HB GLU 91 -2.831 9.886 1.754 722 HB3 GLU 91 1HB GLU 91 -2.360 10.451 3.351 723 HG2 GLU 91 2HG GLU 91 -3.664 12.070 1.159 724 HG3 GLU 91 1HG GLU 91 -4.478 11.388 2.562 725 H ILE 92 H ILE 92 -1.650 13.070 0.311 726 HA ILE 92 HA ILE 92 -2.083 11.883 -2.292 727 HB ILE 92 HB ILE 92 -1.339 14.710 -1.395 728 HG12 ILE 92 2HG1 ILE 92 -3.483 13.978 -0.470 729 HG13 ILE 92 1HG1 ILE 92 -3.694 15.281 -1.630 730 HG21 ILE 92 1HG2 ILE 92 -0.744 14.395 -3.653 731 HG22 ILE 92 2HG2 ILE 92 -2.104 15.523 -3.510 732 HG23 ILE 92 3HG2 ILE 92 -2.384 13.854 -4.053 733 HD11 ILE 92 3HD1 ILE 92 -4.206 12.355 -2.123 734 HD12 ILE 92 1HD1 ILE 92 -4.391 13.655 -3.308 735 HD13 ILE 92 2HD1 ILE 92 -5.413 13.621 -1.868 736 HA PRO 93 HA PRO 93 2.722 13.038 -3.096 737 HB2 PRO 93 2HB PRO 93 3.363 12.289 -0.256 738 HB3 PRO 93 1HB PRO 93 4.300 13.289 -1.376 739 HG2 PRO 93 2HG PRO 93 2.817 14.491 0.460 740 HG3 PRO 93 1HG PRO 93 2.802 15.090 -1.206 741 HD2 PRO 93 2HD PRO 93 0.694 13.580 0.216 742 HD3 PRO 93 1HD PRO 93 0.590 14.822 -1.038 743 H LEU 94 H LEU 94 1.701 10.636 -0.632 744 HA LEU 94 HA LEU 94 3.020 8.374 -1.781 745 HB2 LEU 94 2HB LEU 94 0.717 8.692 0.078 746 HB3 LEU 94 1HB LEU 94 1.018 7.118 -0.612 747 HG LEU 94 HG LEU 94 1.798 7.170 1.570 748 HD11 LEU 94 1HD1 LEU 94 4.142 7.356 -0.289 749 HD12 LEU 94 2HD1 LEU 94 3.185 5.934 0.123 750 HD13 LEU 94 3HD1 LEU 94 4.194 6.701 1.351 751 HD21 LEU 94 3HD2 LEU 94 3.263 9.708 0.907 752 HD22 LEU 94 1HD2 LEU 94 3.572 8.748 2.363 753 HD23 LEU 94 2HD2 LEU 94 1.982 9.445 2.082 754 H VAL 95 H VAL 95 -0.260 9.736 -2.239 755 HA VAL 95 HA VAL 95 -1.142 7.657 -3.844 756 HB VAL 95 HB VAL 95 -2.981 8.716 -4.036 757 HG11 VAL 95 1HG1 VAL 95 -2.171 9.899 -1.561 758 HG12 VAL 95 2HG1 VAL 95 -2.975 8.378 -1.908 759 HG13 VAL 95 3HG1 VAL 95 -3.823 9.907 -2.178 760 HG21 VAL 95 3HG2 VAL 95 -1.821 11.422 -4.250 761 HG22 VAL 95 1HG2 VAL 95 -3.560 11.112 -4.006 762 HG23 VAL 95 2HG2 VAL 95 -2.758 10.437 -5.401 763 H SER 96 H SER 96 0.506 10.396 -4.385 764 HA SER 96 HA SER 96 0.527 10.651 -7.277 765 HB2 SER 96 2HB SER 96 0.757 12.481 -5.638 766 HB3 SER 96 1HB SER 96 2.322 11.848 -5.182 767 HG SER 96 HG SER 96 1.628 12.638 -7.791 768 H ILE 97 H ILE 97 1.847 8.369 -5.444 769 HA ILE 97 HA ILE 97 4.560 8.401 -5.739 770 HB ILE 97 HB ILE 97 3.282 6.905 -4.255 771 HG12 ILE 97 2HG1 ILE 97 5.185 5.284 -5.905 772 HG13 ILE 97 1HG1 ILE 97 5.730 6.587 -4.848 773 HG21 ILE 97 1HG2 ILE 97 1.598 6.035 -5.723 774 HG22 ILE 97 2HG2 ILE 97 2.549 4.688 -5.103 775 HG23 ILE 97 3HG2 ILE 97 2.817 5.273 -6.745 776 HD11 ILE 97 3HD1 ILE 97 4.762 5.490 -2.944 777 HD12 ILE 97 1HD1 ILE 97 5.893 4.421 -3.763 778 HD13 ILE 97 2HD1 ILE 97 4.151 4.185 -3.966 779 H TRP 98 H TRP 98 2.324 6.798 -8.021 780 HA TRP 98 HA TRP 98 3.446 7.661 -10.282 781 HB2 TRP 98 2HB TRP 98 4.454 5.567 -11.226 782 HB3 TRP 98 1HB TRP 98 5.435 6.301 -9.963 783 HD1 TRP 98 HD1 TRP 98 2.838 3.411 -10.230 784 HE1 TRP 98 HE1 TRP 98 3.641 1.485 -8.719 785 HE3 TRP 98 HE3 TRP 98 7.042 5.586 -8.338 786 HZ2 TRP 98 HZ2 TRP 98 5.782 0.960 -6.985 787 HZ3 TRP 98 HZ3 TRP 98 8.425 4.295 -6.772 788 HH2 TRP 98 HH2 TRP 98 7.804 2.034 -6.115 789 H GLY 99 H GLY 99 2.586 6.120 -12.132 790 HA2 GLY 99 2HA GLY 99 0.041 5.055 -11.144 791 HA3 GLY 99 1HA GLY 99 0.124 6.132 -12.527 792 HA PRO 100 HA PRO 100 1.676 1.666 -13.774 793 HB2 PRO 100 2HB PRO 100 -0.385 0.202 -12.223 794 HB3 PRO 100 1HB PRO 100 1.322 -0.191 -12.448 795 HG2 PRO 100 2HG PRO 100 0.458 0.700 -10.104 796 HG3 PRO 100 1HG PRO 100 2.010 1.257 -10.762 797 HD2 PRO 100 2HD PRO 100 -0.657 2.622 -10.812 798 HD3 PRO 100 1HD PRO 100 0.911 3.298 -10.343 799 H ARG 101 H ARG 101 -0.007 3.473 -14.873 800 HA ARG 101 HA ARG 101 -2.333 2.042 -15.870 801 HB2 ARG 101 2HB ARG 101 -2.790 4.174 -14.708 802 HB3 ARG 101 1HB ARG 101 -1.666 4.996 -15.774 803 HG2 ARG 101 2HG ARG 101 -3.063 4.515 -17.656 804 HG3 ARG 101 1HG ARG 101 -4.195 3.638 -16.619 805 HD2 ARG 101 2HD ARG 101 -5.069 5.875 -17.005 806 HD3 ARG 101 1HD ARG 101 -4.561 5.712 -15.325 807 HE ARG 101 HE ARG 101 -2.630 6.866 -17.159 808 HH11 ARG 101 1HH1 ARG 101 -5.076 7.500 -14.654 809 HH12 ARG 101 2HH1 ARG 101 -4.567 9.095 -14.368 810 HH21 ARG 101 1HH2 ARG 101 -1.954 9.039 -16.783 811 HH22 ARG 101 2HH2 ARG 101 -2.734 10.011 -15.615 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 -2.836 22.993 0.957 2 H2 GLY 1 2H GLY 1 -2.055 21.648 0.372 3 H3 GLY 1 3H GLY 1 -1.167 22.811 1.235 4 HA2 GLY 1 1HA GLY 1 -1.605 20.881 2.610 5 HA3 GLY 1 2HA GLY 1 -2.524 22.265 3.201 6 HA PRO 2 HA PRO 2 -5.725 19.009 2.666 7 HB2 PRO 2 2HB PRO 2 -7.178 20.773 4.549 8 HB3 PRO 2 1HB PRO 2 -6.845 19.042 4.677 9 HG2 PRO 2 2HG PRO 2 -5.592 20.808 6.247 10 HG3 PRO 2 1HG PRO 2 -4.765 19.371 5.624 11 HD2 PRO 2 2HD PRO 2 -4.619 22.204 4.658 12 HD3 PRO 2 1HD PRO 2 -3.313 21.017 4.877 13 H LEU 3 H LEU 3 -7.180 19.202 1.044 14 HA LEU 3 HA LEU 3 -8.463 21.780 0.511 15 HB2 LEU 3 2HB LEU 3 -6.320 21.519 -0.790 16 HB3 LEU 3 1HB LEU 3 -7.056 20.139 -1.572 17 HG LEU 3 HG LEU 3 -8.807 21.609 -2.493 18 HD11 LEU 3 1HD1 LEU 3 -7.156 23.810 -1.247 19 HD12 LEU 3 2HD1 LEU 3 -8.805 23.366 -0.789 20 HD13 LEU 3 3HD1 LEU 3 -8.482 24.046 -2.381 21 HD21 LEU 3 3HD2 LEU 3 -5.999 22.461 -2.998 22 HD22 LEU 3 1HD2 LEU 3 -7.363 22.738 -4.089 23 HD23 LEU 3 2HD2 LEU 3 -6.823 21.082 -3.742 24 H GLY 4 H GLY 4 -10.275 21.388 -1.153 25 HA2 GLY 4 2HA GLY 4 -11.543 18.853 -0.504 26 HA3 GLY 4 1HA GLY 4 -12.298 20.262 -1.243 27 H SER 5 H SER 5 -9.317 18.780 -2.273 28 HA SER 5 HA SER 5 -10.526 17.521 -4.568 29 HB2 SER 5 2HB SER 5 -8.452 19.717 -4.847 30 HB3 SER 5 1HB SER 5 -9.114 18.743 -6.158 31 HG SER 5 HG SER 5 -11.217 19.660 -5.144 32 H MET 6 H MET 6 -8.797 16.297 -5.748 33 HA MET 6 HA MET 6 -6.654 15.412 -3.941 34 HB2 MET 6 2HB MET 6 -8.027 14.000 -6.225 35 HB3 MET 6 1HB MET 6 -6.736 13.308 -5.266 36 HG2 MET 6 2HG MET 6 -8.721 12.314 -4.483 37 HG3 MET 6 1HG MET 6 -8.286 13.513 -3.273 38 HE1 MET 6 3HE MET 6 -12.191 13.508 -3.184 39 HE2 MET 6 1HE MET 6 -10.711 13.335 -2.244 40 HE3 MET 6 2HE MET 6 -11.130 12.127 -3.461 41 H ASP 7 H ASP 7 -6.373 17.676 -5.479 42 HA ASP 7 HA ASP 7 -4.848 16.901 -7.892 43 HB2 ASP 7 2HB ASP 7 -6.214 19.482 -7.192 44 HB3 ASP 7 1HB ASP 7 -5.062 19.316 -8.514 45 H ALA 8 H ALA 8 -3.838 17.032 -5.057 46 HA ALA 8 HA ALA 8 -1.834 19.120 -5.163 47 HB1 ALA 8 3HB ALA 8 -2.551 18.216 -2.992 48 HB2 ALA 8 1HB ALA 8 -0.816 18.007 -3.212 49 HB3 ALA 8 2HB ALA 8 -1.905 16.638 -3.433 50 H GLU 9 H GLU 9 -2.253 16.328 -6.682 51 HA GLU 9 HA GLU 9 0.361 15.304 -6.989 52 HB2 GLU 9 2HB GLU 9 -0.827 14.164 -9.034 53 HB3 GLU 9 1HB GLU 9 -1.145 13.665 -7.386 54 HG2 GLU 9 2HG GLU 9 -3.275 13.761 -8.354 55 HG3 GLU 9 1HG GLU 9 -3.114 15.228 -7.436 56 H SER 10 H SER 10 -1.471 17.643 -8.653 57 HA SER 10 HA SER 10 0.074 17.928 -10.988 58 HB2 SER 10 2HB SER 10 -1.572 19.840 -9.368 59 HB3 SER 10 1HB SER 10 -1.004 20.204 -11.005 60 HG SER 10 HG SER 10 -2.657 17.964 -10.291 61 H ILE 11 H ILE 11 0.327 19.048 -7.741 62 HA ILE 11 HA ILE 11 2.227 21.095 -8.227 63 HB ILE 11 HB ILE 11 1.021 19.955 -5.695 64 HG12 ILE 11 2HG1 ILE 11 -0.436 21.740 -5.596 65 HG13 ILE 11 1HG1 ILE 11 0.363 22.725 -6.856 66 HG21 ILE 11 1HG2 ILE 11 3.198 20.934 -5.226 67 HG22 ILE 11 2HG2 ILE 11 1.910 21.925 -4.544 68 HG23 ILE 11 3HG2 ILE 11 2.715 22.427 -6.030 69 HD11 ILE 11 3HD1 ILE 11 -0.684 21.172 -8.387 70 HD12 ILE 11 1HD1 ILE 11 -1.880 21.913 -7.341 71 HD13 ILE 11 2HD1 ILE 11 -1.362 20.237 -7.060 72 H ARG 12 H ARG 12 2.204 17.923 -6.464 73 HA ARG 12 HA ARG 12 5.122 18.180 -6.341 74 HB2 ARG 12 2HB ARG 12 3.188 16.862 -4.504 75 HB3 ARG 12 1HB ARG 12 4.922 16.631 -4.408 76 HG2 ARG 12 2HG ARG 12 3.418 19.224 -4.092 77 HG3 ARG 12 1HG ARG 12 4.191 18.300 -2.804 78 HD2 ARG 12 2HD ARG 12 6.378 18.650 -3.868 79 HD3 ARG 12 1HD ARG 12 5.605 19.594 -5.140 80 HE ARG 12 HE ARG 12 4.874 20.768 -2.799 81 HH11 ARG 12 1HH1 ARG 12 7.914 20.082 -4.477 82 HH12 ARG 12 2HH1 ARG 12 8.765 21.399 -3.824 83 HH21 ARG 12 1HH2 ARG 12 6.030 22.631 -1.886 84 HH22 ARG 12 2HH2 ARG 12 7.658 22.872 -2.297 85 H LEU 13 H LEU 13 2.857 16.418 -8.013 86 HA LEU 13 HA LEU 13 2.686 14.453 -8.934 87 HB2 LEU 13 2HB LEU 13 5.536 15.102 -9.160 88 HB3 LEU 13 1HB LEU 13 4.982 13.582 -9.878 89 HG LEU 13 HG LEU 13 5.146 15.160 -11.631 90 HD11 LEU 13 1HD1 LEU 13 3.123 13.893 -11.769 91 HD12 LEU 13 2HD1 LEU 13 2.881 15.513 -12.423 92 HD13 LEU 13 3HD1 LEU 13 2.258 15.109 -10.830 93 HD21 LEU 13 3HD2 LEU 13 4.153 17.413 -11.594 94 HD22 LEU 13 1HD2 LEU 13 5.370 17.209 -10.334 95 HD23 LEU 13 2HD2 LEU 13 3.658 17.154 -9.918 96 H ASN 14 H ASN 14 5.825 13.483 -7.737 97 HA ASN 14 HA ASN 14 4.989 11.983 -5.549 98 HB2 ASN 14 2HB ASN 14 5.380 9.687 -6.494 99 HB3 ASN 14 1HB ASN 14 3.936 10.448 -7.147 100 HD21 ASN 14 1HD2 ASN 14 3.867 10.933 -9.308 101 HD22 ASN 14 2HD2 ASN 14 5.029 10.386 -10.457 102 H ASN 15 H ASN 15 6.899 10.416 -4.966 103 HA ASN 15 HA ASN 15 9.440 11.174 -6.078 104 HB2 ASN 15 2HB ASN 15 9.057 13.022 -4.449 105 HB3 ASN 15 1HB ASN 15 8.788 11.843 -3.179 106 HD21 ASN 15 1HD2 ASN 15 10.489 12.550 -1.911 107 HD22 ASN 15 2HD2 ASN 15 12.140 12.342 -2.339 108 H GLU 16 H GLU 16 11.112 9.815 -5.327 109 HA GLU 16 HA GLU 16 10.357 7.126 -5.074 110 HB2 GLU 16 2HB GLU 16 12.463 8.104 -6.087 111 HB3 GLU 16 1HB GLU 16 13.054 8.299 -4.445 112 HG2 GLU 16 2HG GLU 16 13.943 6.290 -5.485 113 HG3 GLU 16 1HG GLU 16 12.921 5.902 -4.098 114 H ASN 17 H ASN 17 11.510 9.485 -2.724 115 HA ASN 17 HA ASN 17 11.955 7.753 -0.562 116 HB2 ASN 17 2HB ASN 17 11.176 10.659 -0.531 117 HB3 ASN 17 1HB ASN 17 11.716 9.776 0.893 118 HD21 ASN 17 1HD2 ASN 17 13.897 9.119 0.991 119 HD22 ASN 17 2HD2 ASN 17 15.106 9.849 0.004 120 H LEU 18 H LEU 18 9.024 9.130 -1.776 121 HA LEU 18 HA LEU 18 7.370 8.690 0.480 122 HB2 LEU 18 2HB LEU 18 6.646 8.705 -2.450 123 HB3 LEU 18 1HB LEU 18 5.513 8.837 -1.122 124 HG LEU 18 HG LEU 18 7.650 10.863 -1.772 125 HD11 LEU 18 1HD1 LEU 18 4.681 10.924 -2.275 126 HD12 LEU 18 2HD1 LEU 18 5.956 10.782 -3.491 127 HD13 LEU 18 3HD1 LEU 18 5.813 12.256 -2.536 128 HD21 LEU 18 3HD2 LEU 18 7.090 10.887 0.582 129 HD22 LEU 18 1HD2 LEU 18 5.364 10.920 0.185 130 HD23 LEU 18 2HD2 LEU 18 6.377 12.286 -0.239 131 H TRP 19 H TRP 19 8.142 6.787 -2.382 132 HA TRP 19 HA TRP 19 6.501 4.571 -1.710 133 HB2 TRP 19 2HB TRP 19 7.191 5.029 -4.037 134 HB3 TRP 19 1HB TRP 19 8.869 4.749 -3.601 135 HD1 TRP 19 HD1 TRP 19 9.670 2.464 -4.386 136 HE1 TRP 19 HE1 TRP 19 8.622 0.147 -4.765 137 HE3 TRP 19 HE3 TRP 19 4.868 3.496 -2.940 138 HZ2 TRP 19 HZ2 TRP 19 6.103 -1.079 -4.487 139 HZ3 TRP 19 HZ3 TRP 19 3.209 1.694 -3.032 140 HH2 TRP 19 HH2 TRP 19 3.811 -0.545 -3.790 141 H ALA 20 H ALA 20 9.855 5.415 -1.165 142 HA ALA 20 HA ALA 20 10.658 2.942 -0.080 143 HB1 ALA 20 3HB ALA 20 11.820 5.651 0.556 144 HB2 ALA 20 1HB ALA 20 12.233 4.677 -0.864 145 HB3 ALA 20 2HB ALA 20 12.590 4.069 0.745 146 H TRP 21 H TRP 21 9.435 5.894 1.490 147 HA TRP 21 HA TRP 21 9.520 4.987 4.143 148 HB2 TRP 21 2HB TRP 21 9.027 7.360 3.466 149 HB3 TRP 21 1HB TRP 21 7.451 6.837 2.892 150 HD1 TRP 21 HD1 TRP 21 9.302 7.835 6.020 151 HE1 TRP 21 HE1 TRP 21 7.681 7.877 8.037 152 HE3 TRP 21 HE3 TRP 21 5.214 5.623 3.874 153 HZ2 TRP 21 HZ2 TRP 21 5.072 7.083 8.637 154 HZ3 TRP 21 HZ3 TRP 21 3.202 5.298 5.244 155 HH2 TRP 21 HH2 TRP 21 3.132 6.012 7.574 156 H LEU 22 H LEU 22 6.996 4.847 1.696 157 HA LEU 22 HA LEU 22 4.965 3.583 3.084 158 HB2 LEU 22 2HB LEU 22 4.875 4.641 0.801 159 HB3 LEU 22 1HB LEU 22 5.720 3.260 0.163 160 HG LEU 22 HG LEU 22 3.298 3.319 -0.368 161 HD11 LEU 22 1HD1 LEU 22 2.757 1.008 0.171 162 HD12 LEU 22 2HD1 LEU 22 4.129 0.954 1.282 163 HD13 LEU 22 3HD1 LEU 22 4.401 1.191 -0.442 164 HD21 LEU 22 3HD2 LEU 22 2.918 2.883 2.587 165 HD22 LEU 22 1HD2 LEU 22 1.655 2.798 1.362 166 HD23 LEU 22 2HD2 LEU 22 2.476 4.328 1.676 167 H VAL 23 H VAL 23 7.497 2.120 1.074 168 HA VAL 23 HA VAL 23 6.787 -0.520 1.564 169 HB VAL 23 HB VAL 23 9.395 0.703 0.630 170 HG11 VAL 23 1HG1 VAL 23 8.736 -2.243 0.801 171 HG12 VAL 23 2HG1 VAL 23 9.941 -1.385 1.772 172 HG13 VAL 23 3HG1 VAL 23 10.160 -1.527 0.030 173 HG21 VAL 23 3HG2 VAL 23 7.505 0.823 -0.893 174 HG22 VAL 23 1HG2 VAL 23 7.268 -0.917 -0.758 175 HG23 VAL 23 2HG2 VAL 23 8.731 -0.285 -1.507 176 H ARG 24 H ARG 24 9.081 1.540 3.335 177 HA ARG 24 HA ARG 24 10.032 -0.630 4.937 178 HB2 ARG 24 2HB ARG 24 11.424 1.367 4.645 179 HB3 ARG 24 1HB ARG 24 10.208 2.348 5.456 180 HG2 ARG 24 2HG ARG 24 10.538 0.967 7.500 181 HG3 ARG 24 1HG ARG 24 11.855 0.137 6.680 182 HD2 ARG 24 2HD ARG 24 11.728 3.099 7.188 183 HD3 ARG 24 1HD ARG 24 12.600 1.955 8.198 184 HE ARG 24 HE ARG 24 13.617 1.522 5.743 185 HH11 ARG 24 1HH1 ARG 24 13.132 4.490 7.604 186 HH12 ARG 24 2HH1 ARG 24 14.565 5.230 7.048 187 HH21 ARG 24 1HH2 ARG 24 15.600 2.575 4.998 188 HH22 ARG 24 2HH2 ARG 24 15.973 4.138 5.552 189 H LEU 25 H LEU 25 7.650 1.898 5.439 190 HA LEU 25 HA LEU 25 7.174 1.219 8.164 191 HB2 LEU 25 2HB LEU 25 6.750 3.432 6.964 192 HB3 LEU 25 1HB LEU 25 5.359 2.688 6.248 193 HG LEU 25 HG LEU 25 4.816 4.213 8.134 194 HD11 LEU 25 1HD1 LEU 25 4.098 1.376 8.658 195 HD12 LEU 25 2HD1 LEU 25 3.319 2.460 7.509 196 HD13 LEU 25 3HD1 LEU 25 3.229 2.804 9.250 197 HD21 LEU 25 3HD2 LEU 25 5.259 3.529 10.417 198 HD22 LEU 25 1HD2 LEU 25 6.759 3.786 9.527 199 HD23 LEU 25 2HD2 LEU 25 6.185 2.146 9.839 200 H LEU 26 H LEU 26 5.588 0.315 5.139 201 HA LEU 26 HA LEU 26 3.568 -1.278 6.371 202 HB2 LEU 26 2HB LEU 26 4.679 -1.244 3.635 203 HB3 LEU 26 1HB LEU 26 3.275 -2.163 4.162 204 HG LEU 26 HG LEU 26 3.564 0.793 3.823 205 HD11 LEU 26 1HD1 LEU 26 1.622 -1.238 3.554 206 HD12 LEU 26 2HD1 LEU 26 2.583 -0.613 2.164 207 HD13 LEU 26 3HD1 LEU 26 1.303 0.397 2.970 208 HD21 LEU 26 3HD2 LEU 26 1.528 1.147 5.143 209 HD22 LEU 26 1HD2 LEU 26 2.864 0.603 6.156 210 HD23 LEU 26 2HD2 LEU 26 1.592 -0.526 5.690 211 H SER 27 H SER 27 6.897 -1.816 5.503 212 HA SER 27 HA SER 27 6.824 -4.621 5.566 213 HB2 SER 27 2HB SER 27 8.630 -3.225 4.522 214 HB3 SER 27 1HB SER 27 9.117 -2.699 6.122 215 HG SER 27 HG SER 27 9.428 -5.147 4.848 216 H LYS 28 H LYS 28 6.602 -2.156 7.938 217 HA LYS 28 HA LYS 28 7.348 -3.935 10.081 218 HB2 LYS 28 2HB LYS 28 6.503 -1.076 10.388 219 HB3 LYS 28 1HB LYS 28 7.409 -2.070 11.526 220 HG2 LYS 28 2HG LYS 28 9.090 -2.211 9.475 221 HG3 LYS 28 1HG LYS 28 8.210 -0.820 9.021 222 HD2 LYS 28 2HD LYS 28 9.560 -1.096 11.683 223 HD3 LYS 28 1HD LYS 28 10.250 -0.224 10.314 224 HE2 LYS 28 2HE LYS 28 8.298 1.308 10.373 225 HE3 LYS 28 1HE LYS 28 7.697 0.444 11.788 226 HZ1 LYS 28 3HZ LYS 28 8.917 2.463 12.391 227 HZ2 LYS 28 1HZ LYS 28 10.285 1.876 11.623 228 HZ3 LYS 28 2HZ LYS 28 9.688 1.101 12.997 229 H ASN 29 H ASN 29 4.666 -3.217 8.283 230 HA ASN 29 HA ASN 29 2.784 -3.811 10.444 231 HB2 ASN 29 2HB ASN 29 2.486 -1.711 8.327 232 HB3 ASN 29 1HB ASN 29 1.173 -2.287 9.184 233 HD21 ASN 29 1HD2 ASN 29 3.983 -0.371 9.431 234 HD22 ASN 29 2HD2 ASN 29 3.630 0.347 10.976 235 HA PRO 30 HA PRO 30 2.263 -6.270 6.391 236 HB2 PRO 30 2HB PRO 30 2.574 -8.686 8.022 237 HB3 PRO 30 1HB PRO 30 3.482 -8.223 6.586 238 HG2 PRO 30 2HG PRO 30 4.552 -8.294 9.094 239 HG3 PRO 30 1HG PRO 30 5.152 -7.237 7.814 240 HD2 PRO 30 2HD PRO 30 3.446 -6.595 10.164 241 HD3 PRO 30 1HD PRO 30 4.670 -5.605 9.358 242 H GLU 31 H GLU 31 1.405 -6.583 9.636 243 HA GLU 31 HA GLU 31 -0.879 -8.181 9.587 244 HB2 GLU 31 2HB GLU 31 -0.196 -5.951 11.487 245 HB3 GLU 31 1HB GLU 31 -1.259 -7.317 11.802 246 HG2 GLU 31 2HG GLU 31 0.621 -8.850 11.627 247 HG3 GLU 31 1HG GLU 31 1.692 -7.507 11.240 248 H TRP 32 H TRP 32 -0.449 -4.589 9.346 249 HA TRP 32 HA TRP 32 -3.278 -4.192 9.292 250 HB2 TRP 32 2HB TRP 32 -1.909 -2.428 10.200 251 HB3 TRP 32 1HB TRP 32 -0.925 -2.373 8.741 252 HD1 TRP 32 HD1 TRP 32 -4.346 -1.281 10.072 253 HE1 TRP 32 HE1 TRP 32 -5.330 0.458 8.483 254 HE3 TRP 32 HE3 TRP 32 -0.862 -1.578 6.407 255 HZ2 TRP 32 HZ2 TRP 32 -4.647 1.637 5.884 256 HZ3 TRP 32 HZ3 TRP 32 -1.043 -0.219 4.459 257 HH2 TRP 32 HH2 TRP 32 -2.921 1.408 4.179 258 H LEU 33 H LEU 33 -0.655 -4.247 7.003 259 HA LEU 33 HA LEU 33 -2.015 -3.292 4.778 260 HB2 LEU 33 2HB LEU 33 0.446 -3.467 5.240 261 HB3 LEU 33 1HB LEU 33 0.351 -5.141 4.844 262 HG LEU 33 HG LEU 33 1.285 -3.672 3.056 263 HD11 LEU 33 1HD1 LEU 33 0.081 -4.647 1.207 264 HD12 LEU 33 2HD1 LEU 33 -1.264 -4.993 2.279 265 HD13 LEU 33 3HD1 LEU 33 0.272 -5.874 2.485 266 HD21 LEU 33 3HD2 LEU 33 -0.177 -2.313 1.745 267 HD22 LEU 33 1HD2 LEU 33 -0.231 -1.791 3.427 268 HD23 LEU 33 2HD2 LEU 33 -1.548 -2.763 2.757 269 H SER 34 H SER 34 -1.383 -6.625 5.780 270 HA SER 34 HA SER 34 -2.634 -7.896 3.642 271 HB2 SER 34 2HB SER 34 -2.445 -8.829 6.517 272 HB3 SER 34 1HB SER 34 -2.807 -9.868 5.140 273 HG SER 34 HG SER 34 -0.424 -8.580 5.839 274 H ALA 35 H ALA 35 -4.069 -7.015 6.757 275 HA ALA 35 HA ALA 35 -6.688 -7.718 6.352 276 HB1 ALA 35 3HB ALA 35 -5.688 -5.312 7.870 277 HB2 ALA 35 1HB ALA 35 -5.799 -6.956 8.501 278 HB3 ALA 35 2HB ALA 35 -7.265 -6.081 8.060 279 H LYS 36 H LYS 36 -5.060 -4.740 5.341 280 HA LYS 36 HA LYS 36 -7.469 -3.669 4.270 281 HB2 LYS 36 2HB LYS 36 -4.578 -2.718 3.952 282 HB3 LYS 36 1HB LYS 36 -5.940 -1.861 3.255 283 HG2 LYS 36 2HG LYS 36 -5.654 -2.494 6.140 284 HG3 LYS 36 1HG LYS 36 -5.142 -0.993 5.373 285 HD2 LYS 36 2HD LYS 36 -7.936 -2.058 5.161 286 HD3 LYS 36 1HD LYS 36 -7.443 -0.942 6.462 287 HE2 LYS 36 2HE LYS 36 -6.727 0.577 4.533 288 HE3 LYS 36 1HE LYS 36 -7.596 -0.558 3.497 289 HZ1 LYS 36 3HZ LYS 36 -8.700 0.959 5.755 290 HZ2 LYS 36 1HZ LYS 36 -9.604 -0.127 4.836 291 HZ3 LYS 36 2HZ LYS 36 -9.015 1.315 4.144 292 H LEU 37 H LEU 37 -4.884 -5.577 2.937 293 HA LEU 37 HA LEU 37 -5.666 -5.512 0.238 294 HB2 LEU 37 2HB LEU 37 -4.569 -7.877 1.759 295 HB3 LEU 37 1HB LEU 37 -4.679 -7.740 0.020 296 HG LEU 37 HG LEU 37 -2.915 -6.110 1.830 297 HD11 LEU 37 1HD1 LEU 37 -2.254 -8.281 -0.161 298 HD12 LEU 37 2HD1 LEU 37 -2.246 -8.456 1.588 299 HD13 LEU 37 3HD1 LEU 37 -1.095 -7.370 0.813 300 HD21 LEU 37 3HD2 LEU 37 -1.915 -5.270 -0.257 301 HD22 LEU 37 1HD2 LEU 37 -3.609 -4.810 -0.106 302 HD23 LEU 37 2HD2 LEU 37 -3.146 -6.128 -1.184 303 H ARG 38 H ARG 38 -6.938 -7.212 2.983 304 HA ARG 38 HA ARG 38 -8.503 -9.164 1.653 305 HB2 ARG 38 2HB ARG 38 -9.167 -7.869 4.277 306 HB3 ARG 38 1HB ARG 38 -9.697 -9.441 3.708 307 HG2 ARG 38 2HG ARG 38 -7.245 -10.193 3.826 308 HG3 ARG 38 1HG ARG 38 -6.890 -8.649 4.418 309 HD2 ARG 38 2HD ARG 38 -8.376 -8.933 6.301 310 HD3 ARG 38 1HD ARG 38 -8.817 -10.523 5.662 311 HE ARG 38 HE ARG 38 -6.295 -10.967 5.894 312 HH11 ARG 38 1HH1 ARG 38 -8.242 -9.147 8.256 313 HH12 ARG 38 2HH1 ARG 38 -7.220 -9.530 9.561 314 HH21 ARG 38 1HH2 ARG 38 -4.911 -11.462 7.715 315 HH22 ARG 38 2HH2 ARG 38 -5.306 -10.867 9.258 316 H SER 39 H SER 39 -9.056 -5.836 2.328 317 HA SER 39 HA SER 39 -11.864 -5.975 1.720 318 HB2 SER 39 2HB SER 39 -10.997 -4.545 3.535 319 HB3 SER 39 1HB SER 39 -10.076 -3.645 2.335 320 HG SER 39 HG SER 39 -12.799 -3.901 1.920 321 H PHE 40 H PHE 40 -8.877 -4.879 0.269 322 HA PHE 40 HA PHE 40 -10.249 -3.746 -2.023 323 HB2 PHE 40 2HB PHE 40 -7.377 -3.917 -1.248 324 HB3 PHE 40 1HB PHE 40 -7.923 -3.227 -2.776 325 HD1 PHE 40 HD2 PHE 40 -9.976 -1.643 -2.471 326 HD2 PHE 40 HD1 PHE 40 -7.081 -2.324 0.553 327 HE1 PHE 40 HE2 PHE 40 -10.610 0.504 -1.377 328 HE2 PHE 40 HE1 PHE 40 -7.689 -0.211 1.624 329 HZ PHE 40 HZ PHE 40 -9.451 1.203 0.674 330 H LEU 41 H LEU 41 -7.994 -6.466 -1.492 331 HA LEU 41 HA LEU 41 -8.354 -7.363 -4.178 332 HB2 LEU 41 2HB LEU 41 -6.721 -8.194 -1.817 333 HB3 LEU 41 1HB LEU 41 -6.880 -9.232 -3.212 334 HG LEU 41 HG LEU 41 -5.841 -7.488 -4.555 335 HD11 LEU 41 1HD1 LEU 41 -4.729 -5.638 -3.510 336 HD12 LEU 41 2HD1 LEU 41 -5.488 -6.121 -1.960 337 HD13 LEU 41 3HD1 LEU 41 -6.499 -5.653 -3.345 338 HD21 LEU 41 3HD2 LEU 41 -3.576 -7.803 -3.634 339 HD22 LEU 41 1HD2 LEU 41 -4.510 -9.297 -3.652 340 HD23 LEU 41 2HD2 LEU 41 -4.297 -8.410 -2.145 341 HA PRO 42 HA PRO 42 -11.697 -9.864 -2.461 342 HB2 PRO 42 2HB PRO 42 -12.517 -10.897 -4.841 343 HB3 PRO 42 1HB PRO 42 -12.945 -9.264 -4.327 344 HG2 PRO 42 2HG PRO 42 -10.754 -10.155 -6.158 345 HG3 PRO 42 1HG PRO 42 -11.904 -8.815 -6.380 346 HD2 PRO 42 2HD PRO 42 -9.368 -8.407 -5.498 347 HD3 PRO 42 1HD PRO 42 -10.709 -7.417 -4.920 348 H THR 43 H THR 43 -9.186 -10.814 -4.677 349 HA THR 43 HA THR 43 -9.357 -13.606 -3.883 350 HB THR 43 HB THR 43 -7.669 -12.476 -6.097 351 HG1 THR 43 HG1 THR 43 -10.498 -12.927 -6.016 352 HG21 THR 43 3HG2 THR 43 -8.109 -14.651 -7.041 353 HG22 THR 43 1HG2 THR 43 -9.266 -14.958 -5.713 354 HG23 THR 43 2HG2 THR 43 -7.552 -14.757 -5.338 355 H MET 44 H MET 44 -8.292 -11.523 -2.257 356 HA MET 44 HA MET 44 -5.573 -10.921 -2.337 357 HB2 MET 44 2HB MET 44 -5.642 -10.187 -0.086 358 HB3 MET 44 1HB MET 44 -7.196 -9.820 -0.796 359 HG2 MET 44 2HG MET 44 -6.554 -12.088 0.955 360 HG3 MET 44 1HG MET 44 -7.290 -10.624 1.533 361 HE1 MET 44 3HE MET 44 -10.292 -13.127 1.855 362 HE2 MET 44 1HE MET 44 -9.329 -11.887 2.662 363 HE3 MET 44 2HE MET 44 -8.585 -13.416 2.196 364 H ASP 45 H ASP 45 -4.127 -12.176 -2.835 365 HA ASP 45 HA ASP 45 -3.768 -14.647 -1.352 366 HB2 ASP 45 2HB ASP 45 -3.414 -14.722 -3.793 367 HB3 ASP 45 1HB ASP 45 -2.145 -13.512 -3.648 368 H LEU 46 H LEU 46 -3.518 -13.444 0.511 369 HA LEU 46 HA LEU 46 -0.982 -12.046 0.850 370 HB2 LEU 46 2HB LEU 46 -1.917 -11.401 3.062 371 HB3 LEU 46 1HB LEU 46 -2.772 -10.779 1.661 372 HG LEU 46 HG LEU 46 -4.416 -12.723 2.033 373 HD11 LEU 46 1HD1 LEU 46 -3.192 -12.722 4.776 374 HD12 LEU 46 2HD1 LEU 46 -3.078 -14.019 3.591 375 HD13 LEU 46 3HD1 LEU 46 -4.647 -13.590 4.273 376 HD21 LEU 46 3HD2 LEU 46 -5.684 -11.481 3.685 377 HD22 LEU 46 1HD2 LEU 46 -5.012 -10.434 2.439 378 HD23 LEU 46 2HD2 LEU 46 -4.268 -10.492 4.036 379 H ASP 47 H ASP 47 -2.314 -15.067 1.386 380 HA ASP 47 HA ASP 47 -0.791 -15.573 3.770 381 HB2 ASP 47 2HB ASP 47 -3.092 -16.443 3.577 382 HB3 ASP 47 1HB ASP 47 -2.595 -17.437 2.218 383 H CYS 48 H CYS 48 -0.010 -15.512 0.680 384 HA CYS 48 HA CYS 48 1.843 -17.773 0.908 385 HB2 CYS 48 2HB CYS 48 1.121 -16.214 -1.579 386 HB3 CYS 48 1HB CYS 48 2.255 -17.556 -1.518 387 HG CYS 48 HG CYS 48 -0.875 -17.549 -2.064 388 H SER 49 H SER 49 3.026 -16.436 2.468 389 HA SER 49 HA SER 49 4.658 -14.451 1.117 390 HB2 SER 49 2HB SER 49 4.400 -14.994 4.089 391 HB3 SER 49 1HB SER 49 5.330 -13.694 3.347 392 HG SER 49 HG SER 49 3.062 -13.271 2.314 393 H TYR 50 H TYR 50 5.790 -15.946 -0.018 394 HA TYR 50 HA TYR 50 7.355 -18.016 1.084 395 HB2 TYR 50 2HB TYR 50 8.674 -17.513 -1.203 396 HB3 TYR 50 1HB TYR 50 7.172 -18.445 -1.152 397 HD1 TYR 50 HD1 TYR 50 8.356 -14.880 -1.506 398 HD2 TYR 50 HD2 TYR 50 5.483 -17.813 -2.580 399 HE1 TYR 50 HE1 TYR 50 7.322 -13.289 -3.056 400 HE2 TYR 50 HE2 TYR 50 4.433 -16.230 -4.118 401 HH TYR 50 HH TYR 50 5.925 -13.215 -4.922 402 H GLU 51 H GLU 51 7.900 -14.779 0.657 403 HA GLU 51 HA GLU 51 10.517 -14.939 1.834 404 HB2 GLU 51 2HB GLU 51 9.280 -12.954 -0.084 405 HB3 GLU 51 1HB GLU 51 10.797 -12.833 0.726 406 HG2 GLU 51 2HG GLU 51 11.754 -14.676 -0.392 407 HG3 GLU 51 1HG GLU 51 10.219 -15.170 -1.080 408 HA PRO 52 HA PRO 52 8.488 -12.370 4.872 409 HB2 PRO 52 2HB PRO 52 10.674 -10.548 5.246 410 HB3 PRO 52 1HB PRO 52 10.264 -11.944 6.246 411 HG2 PRO 52 2HG PRO 52 12.497 -11.679 4.695 412 HG3 PRO 52 1HG PRO 52 11.826 -13.236 5.229 413 HD2 PRO 52 2HD PRO 52 11.600 -11.852 2.596 414 HD3 PRO 52 1HD PRO 52 11.724 -13.590 2.949 415 H SER 53 H SER 53 9.190 -9.636 5.385 416 HA SER 53 HA SER 53 7.348 -8.374 3.628 417 HB2 SER 53 2HB SER 53 8.974 -7.364 5.953 418 HB3 SER 53 1HB SER 53 7.664 -6.482 5.165 419 HG SER 53 HG SER 53 6.309 -7.581 6.201 420 H ASN 54 H ASN 54 9.621 -9.158 2.155 421 HA ASN 54 HA ASN 54 11.548 -7.127 1.804 422 HB2 ASN 54 2HB ASN 54 10.751 -9.617 0.507 423 HB3 ASN 54 1HB ASN 54 11.550 -8.463 -0.537 424 HD21 ASN 54 1HD2 ASN 54 13.479 -9.565 -0.717 425 HD22 ASN 54 2HD2 ASN 54 14.533 -9.860 0.619 426 HA PRO 55 HA PRO 55 9.684 -3.958 -0.568 427 HB2 PRO 55 2HB PRO 55 11.503 -3.756 -2.686 428 HB3 PRO 55 1HB PRO 55 11.612 -2.919 -1.136 429 HG2 PRO 55 2HG PRO 55 12.947 -5.427 -2.035 430 HG3 PRO 55 1HG PRO 55 13.577 -4.129 -1.012 431 HD2 PRO 55 2HD PRO 55 12.803 -6.446 0.047 432 HD3 PRO 55 1HD PRO 55 12.464 -4.919 0.885 433 H GLU 56 H GLU 56 10.801 -6.662 -2.647 434 HA GLU 56 HA GLU 56 8.973 -5.945 -4.726 435 HB2 GLU 56 2HB GLU 56 10.612 -8.425 -4.285 436 HB3 GLU 56 1HB GLU 56 9.617 -8.156 -5.706 437 HG2 GLU 56 2HG GLU 56 10.916 -6.273 -6.355 438 HG3 GLU 56 1HG GLU 56 11.816 -6.311 -4.840 439 H VAL 57 H VAL 57 8.885 -7.945 -1.959 440 HA VAL 57 HA VAL 57 6.598 -9.464 -2.647 441 HB VAL 57 HB VAL 57 7.744 -8.755 0.078 442 HG11 VAL 57 1HG1 VAL 57 5.773 -10.917 -0.661 443 HG12 VAL 57 2HG1 VAL 57 5.421 -9.457 0.281 444 HG13 VAL 57 3HG1 VAL 57 6.522 -10.685 0.921 445 HG21 VAL 57 3HG2 VAL 57 8.742 -10.955 0.040 446 HG22 VAL 57 1HG2 VAL 57 9.307 -9.978 -1.312 447 HG23 VAL 57 2HG2 VAL 57 8.099 -11.242 -1.579 448 H ILE 58 H ILE 58 7.221 -6.622 -0.715 449 HA ILE 58 HA ILE 58 4.628 -5.835 -0.063 450 HB ILE 58 HB ILE 58 7.072 -4.131 -0.612 451 HG12 ILE 58 2HG1 ILE 58 7.466 -5.695 1.195 452 HG13 ILE 58 1HG1 ILE 58 7.281 -4.064 1.830 453 HG21 ILE 58 1HG2 ILE 58 5.997 -2.371 0.713 454 HG22 ILE 58 2HG2 ILE 58 4.532 -3.358 0.796 455 HG23 ILE 58 3HG2 ILE 58 5.094 -2.752 -0.758 456 HD11 ILE 58 3HD1 ILE 58 6.187 -5.684 3.243 457 HD12 ILE 58 1HD1 ILE 58 5.185 -6.220 1.896 458 HD13 ILE 58 2HD1 ILE 58 5.008 -4.584 2.530 459 H HIS 59 H HIS 59 6.663 -4.970 -2.808 460 HA HIS 59 HA HIS 59 4.966 -3.244 -4.158 461 HB2 HIS 59 2HB HIS 59 7.350 -3.561 -4.710 462 HB3 HIS 59 1HB HIS 59 6.997 -5.167 -5.315 463 HD1 HIS 59 HD1 HIS 59 7.317 -5.070 -7.779 464 HD2 HIS 59 HD2 HIS 59 5.359 -1.693 -6.350 465 HE1 HIS 59 HE1 HIS 59 6.871 -3.644 -9.780 466 HE2 HIS 59 HE2 HIS 59 5.654 -1.633 -8.902 467 H ARG 60 H ARG 60 5.007 -6.770 -4.260 468 HA ARG 60 HA ARG 60 3.195 -7.200 -6.343 469 HB2 ARG 60 2HB ARG 60 4.510 -8.983 -5.472 470 HB3 ARG 60 1HB ARG 60 3.925 -8.710 -3.848 471 HG2 ARG 60 2HG ARG 60 1.702 -9.509 -4.515 472 HG3 ARG 60 1HG ARG 60 2.337 -9.776 -6.147 473 HD2 ARG 60 2HD ARG 60 3.845 -11.448 -5.384 474 HD3 ARG 60 1HD ARG 60 3.548 -11.037 -3.703 475 HE ARG 60 HE ARG 60 1.423 -12.020 -3.848 476 HH11 ARG 60 1HH1 ARG 60 3.410 -12.644 -6.705 477 HH12 ARG 60 2HH1 ARG 60 2.670 -14.127 -7.101 478 HH21 ARG 60 1HH2 ARG 60 0.440 -14.152 -4.325 479 HH22 ARG 60 2HH2 ARG 60 0.935 -14.997 -5.694 480 H GLN 61 H GLN 61 2.733 -6.803 -2.915 481 HA GLN 61 HA GLN 61 -0.050 -7.317 -2.788 482 HB2 GLN 61 2HB GLN 61 1.699 -5.707 -0.944 483 HB3 GLN 61 1HB GLN 61 0.141 -6.422 -0.544 484 HG2 GLN 61 2HG GLN 61 1.036 -8.596 -0.961 485 HG3 GLN 61 1HG GLN 61 2.604 -7.922 -1.348 486 HE21 GLN 61 1HE2 GLN 61 1.910 -9.789 0.798 487 HE22 GLN 61 2HE2 GLN 61 2.403 -9.020 2.260 488 H LEU 62 H LEU 62 1.869 -4.472 -2.920 489 HA LEU 62 HA LEU 62 -0.366 -2.691 -2.702 490 HB2 LEU 62 2HB LEU 62 2.560 -2.232 -3.184 491 HB3 LEU 62 1HB LEU 62 1.428 -0.913 -3.347 492 HG LEU 62 HG LEU 62 2.582 -0.874 -1.159 493 HD11 LEU 62 1HD1 LEU 62 -0.316 -1.542 -0.830 494 HD12 LEU 62 2HD1 LEU 62 0.326 0.036 -1.287 495 HD13 LEU 62 3HD1 LEU 62 0.689 -0.641 0.299 496 HD21 LEU 62 3HD2 LEU 62 2.923 -3.272 -0.841 497 HD22 LEU 62 1HD2 LEU 62 1.191 -3.478 -0.599 498 HD23 LEU 62 2HD2 LEU 62 2.135 -2.534 0.556 499 H ASN 63 H ASN 63 1.450 -4.040 -5.415 500 HA ASN 63 HA ASN 63 0.652 -2.415 -7.498 501 HB2 ASN 63 2HB ASN 63 2.353 -4.260 -7.428 502 HB3 ASN 63 1HB ASN 63 1.002 -5.364 -7.354 503 HD21 ASN 63 1HD2 ASN 63 1.716 -6.349 -9.174 504 HD22 ASN 63 2HD2 ASN 63 1.386 -5.667 -10.725 505 H ARG 64 H ARG 64 -0.776 -5.218 -5.972 506 HA ARG 64 HA ARG 64 -2.936 -5.626 -7.647 507 HB2 ARG 64 2HB ARG 64 -2.326 -6.358 -4.844 508 HB3 ARG 64 1HB ARG 64 -3.953 -6.617 -5.453 509 HG2 ARG 64 2HG ARG 64 -1.519 -7.689 -6.838 510 HG3 ARG 64 1HG ARG 64 -2.384 -8.585 -5.582 511 HD2 ARG 64 2HD ARG 64 -4.419 -8.361 -6.898 512 HD3 ARG 64 1HD ARG 64 -3.516 -7.571 -8.188 513 HE ARG 64 HE ARG 64 -2.165 -9.880 -7.758 514 HH11 ARG 64 1HH1 ARG 64 -5.511 -9.149 -8.645 515 HH12 ARG 64 2HH1 ARG 64 -5.748 -10.615 -9.494 516 HH21 ARG 64 1HH2 ARG 64 -2.529 -11.914 -8.907 517 HH22 ARG 64 2HH2 ARG 64 -4.050 -12.203 -9.607 518 H LEU 65 H LEU 65 -2.555 -3.375 -5.009 519 HA LEU 65 HA LEU 65 -5.325 -2.740 -4.678 520 HB2 LEU 65 2HB LEU 65 -2.854 -1.152 -4.096 521 HB3 LEU 65 1HB LEU 65 -4.470 -0.723 -3.559 522 HG LEU 65 HG LEU 65 -2.981 -3.215 -2.733 523 HD11 LEU 65 1HD1 LEU 65 -3.558 -0.650 -1.347 524 HD12 LEU 65 2HD1 LEU 65 -1.969 -1.148 -1.939 525 HD13 LEU 65 3HD1 LEU 65 -2.752 -2.041 -0.618 526 HD21 LEU 65 3HD2 LEU 65 -5.394 -3.464 -2.656 527 HD22 LEU 65 1HD2 LEU 65 -5.520 -1.943 -1.768 528 HD23 LEU 65 2HD2 LEU 65 -4.721 -3.325 -1.030 529 H PHE 66 H PHE 66 -2.678 -1.295 -6.484 530 HA PHE 66 HA PHE 66 -4.217 0.755 -7.652 531 HB2 PHE 66 2HB PHE 66 -1.789 0.892 -7.647 532 HB3 PHE 66 1HB PHE 66 -1.664 -0.594 -8.574 533 HD1 PHE 66 HD1 PHE 66 -3.546 2.615 -8.950 534 HD2 PHE 66 HD2 PHE 66 -0.930 -0.238 -10.710 535 HE1 PHE 66 HE1 PHE 66 -3.507 3.934 -11.028 536 HE2 PHE 66 HE2 PHE 66 -0.890 1.079 -12.789 537 HZ PHE 66 HZ PHE 66 -2.178 3.159 -12.948 538 H ALA 67 H ALA 67 -3.574 -2.554 -8.495 539 HA ALA 67 HA ALA 67 -4.782 -2.575 -11.025 540 HB1 ALA 67 3HB ALA 67 -3.273 -4.343 -10.209 541 HB2 ALA 67 1HB ALA 67 -4.794 -4.988 -10.832 542 HB3 ALA 67 2HB ALA 67 -4.532 -4.872 -9.094 543 H GLN 68 H GLN 68 -6.217 -2.797 -7.740 544 HA GLN 68 HA GLN 68 -8.704 -3.772 -8.532 545 HB2 GLN 68 2HB GLN 68 -7.828 -2.033 -6.281 546 HB3 GLN 68 1HB GLN 68 -9.437 -2.663 -6.397 547 HG2 GLN 68 2HG GLN 68 -6.961 -3.918 -5.340 548 HG3 GLN 68 1HG GLN 68 -8.594 -4.063 -4.940 549 HE21 GLN 68 1HE2 GLN 68 -6.506 -6.089 -5.609 550 HE22 GLN 68 2HE2 GLN 68 -7.323 -7.219 -6.631 551 H GLY 69 H GLY 69 -7.293 -0.583 -8.062 552 HA2 GLY 69 2HA GLY 69 -9.155 0.796 -9.791 553 HA3 GLY 69 1HA GLY 69 -9.509 0.910 -8.111 554 H MET 70 H MET 70 -8.264 2.610 -10.333 555 HA MET 70 HA MET 70 -5.966 3.627 -9.009 556 HB2 MET 70 2HB MET 70 -6.232 5.640 -10.435 557 HB3 MET 70 1HB MET 70 -6.445 4.197 -11.399 558 HG2 MET 70 2HG MET 70 -8.066 5.702 -12.172 559 HG3 MET 70 1HG MET 70 -8.956 4.583 -11.149 560 HE1 MET 70 3HE MET 70 -10.261 7.274 -12.049 561 HE2 MET 70 1HE MET 70 -10.930 7.889 -10.538 562 HE3 MET 70 2HE MET 70 -11.039 6.170 -10.916 563 H ALA 71 H ALA 71 -9.341 3.893 -8.741 564 HA ALA 71 HA ALA 71 -9.480 6.047 -6.874 565 HB1 ALA 71 3HB ALA 71 -11.351 5.434 -8.291 566 HB2 ALA 71 1HB ALA 71 -11.796 5.253 -6.589 567 HB3 ALA 71 2HB ALA 71 -11.377 3.830 -7.564 568 H THR 72 H THR 72 -9.290 2.531 -6.759 569 HA THR 72 HA THR 72 -9.624 2.128 -4.055 570 HB THR 72 HB THR 72 -8.053 0.619 -6.159 571 HG1 THR 72 HG1 THR 72 -10.515 -0.040 -4.929 572 HG21 THR 72 3HG2 THR 72 -8.135 -1.327 -4.511 573 HG22 THR 72 1HG2 THR 72 -8.681 -0.207 -3.302 574 HG23 THR 72 2HG2 THR 72 -7.066 -0.036 -3.973 575 H TRP 73 H TRP 73 -6.646 2.850 -5.910 576 HA TRP 73 HA TRP 73 -4.985 2.712 -3.638 577 HB2 TRP 73 2HB TRP 73 -4.167 2.494 -6.013 578 HB3 TRP 73 1HB TRP 73 -4.426 4.217 -6.223 579 HD1 TRP 73 HD1 TRP 73 -2.477 5.797 -5.466 580 HE1 TRP 73 HE1 TRP 73 -0.194 5.481 -4.429 581 HE3 TRP 73 HE3 TRP 73 -2.788 0.863 -4.289 582 HZ2 TRP 73 HZ2 TRP 73 1.330 3.509 -3.305 583 HZ3 TRP 73 HZ3 TRP 73 -0.813 -0.177 -3.231 584 HH2 TRP 73 HH2 TRP 73 1.198 1.123 -2.747 585 H LYS 74 H LYS 74 -6.670 5.505 -5.159 586 HA LYS 74 HA LYS 74 -5.768 7.554 -3.470 587 HB2 LYS 74 2HB LYS 74 -8.632 7.260 -4.438 588 HB3 LYS 74 1HB LYS 74 -7.861 8.739 -3.901 589 HG2 LYS 74 2HG LYS 74 -6.362 8.542 -5.907 590 HG3 LYS 74 1HG LYS 74 -7.391 7.197 -6.419 591 HD2 LYS 74 2HD LYS 74 -9.312 8.740 -6.235 592 HD3 LYS 74 1HD LYS 74 -8.136 10.013 -5.863 593 HE2 LYS 74 2HE LYS 74 -7.046 9.703 -7.956 594 HE3 LYS 74 1HE LYS 74 -8.126 8.357 -8.347 595 HZ1 LYS 74 3HZ LYS 74 -8.832 10.338 -9.478 596 HZ2 LYS 74 1HZ LYS 74 -8.918 11.223 -8.052 597 HZ3 LYS 74 2HZ LYS 74 -9.993 9.948 -8.328 598 H SER 75 H SER 75 -8.499 5.337 -2.949 599 HA SER 75 HA SER 75 -9.328 6.313 -0.557 600 HB2 SER 75 2HB SER 75 -9.391 3.575 -1.781 601 HB3 SER 75 1HB SER 75 -10.409 4.161 -0.476 602 HG SER 75 HG SER 75 -10.379 4.949 -3.201 603 H PHE 76 H PHE 76 -7.020 3.832 -1.486 604 HA PHE 76 HA PHE 76 -6.495 2.743 1.012 605 HB2 PHE 76 2HB PHE 76 -5.891 1.704 -1.142 606 HB3 PHE 76 1HB PHE 76 -4.616 2.882 -1.333 607 HD1 PHE 76 HD2 PHE 76 -5.765 0.149 0.874 608 HD2 PHE 76 HD1 PHE 76 -2.504 2.601 -0.330 609 HE1 PHE 76 HE2 PHE 76 -4.232 -1.263 2.173 610 HE2 PHE 76 HE1 PHE 76 -0.963 1.192 0.972 611 HZ PHE 76 HZ PHE 76 -1.841 -0.764 2.219 612 H ILE 77 H ILE 77 -4.725 5.392 -0.772 613 HA ILE 77 HA ILE 77 -2.785 5.509 1.241 614 HB ILE 77 HB ILE 77 -3.610 7.622 -0.761 615 HG12 ILE 77 2HG1 ILE 77 -2.876 5.513 -1.810 616 HG13 ILE 77 1HG1 ILE 77 -1.733 6.818 -2.089 617 HG21 ILE 77 1HG2 ILE 77 -1.083 7.319 0.843 618 HG22 ILE 77 2HG2 ILE 77 -2.344 8.509 1.152 619 HG23 ILE 77 3HG2 ILE 77 -1.415 8.571 -0.360 620 HD11 ILE 77 3HD1 ILE 77 -0.570 4.761 -1.632 621 HD12 ILE 77 1HD1 ILE 77 -1.421 4.582 -0.091 622 HD13 ILE 77 2HD1 ILE 77 -0.295 5.919 -0.330 623 H ASN 78 H ASN 78 -5.868 7.082 0.835 624 HA ASN 78 HA ASN 78 -5.580 8.962 2.916 625 HB2 ASN 78 2HB ASN 78 -7.387 9.091 1.228 626 HB3 ASN 78 1HB ASN 78 -8.134 7.667 1.930 627 HD21 ASN 78 1HD2 ASN 78 -7.409 11.041 2.402 628 HD22 ASN 78 2HD2 ASN 78 -8.535 11.343 3.659 629 H ASP 79 H ASP 79 -6.625 5.581 2.907 630 HA ASP 79 HA ASP 79 -7.289 5.552 5.690 631 HB2 ASP 79 2HB ASP 79 -6.725 3.268 3.791 632 HB3 ASP 79 1HB ASP 79 -7.147 3.100 5.489 633 H LEU 80 H LEU 80 -4.548 4.617 3.783 634 HA LEU 80 HA LEU 80 -2.843 3.348 5.524 635 HB2 LEU 80 2HB LEU 80 -2.622 3.727 3.097 636 HB3 LEU 80 1HB LEU 80 -2.409 5.377 3.419 637 HG LEU 80 HG LEU 80 -0.366 4.322 2.626 638 HD11 LEU 80 1HD1 LEU 80 -0.019 5.218 5.461 639 HD12 LEU 80 2HD1 LEU 80 -0.002 6.230 4.019 640 HD13 LEU 80 3HD1 LEU 80 1.267 5.029 4.267 641 HD21 LEU 80 3HD2 LEU 80 -0.588 2.693 5.075 642 HD22 LEU 80 1HD2 LEU 80 0.809 2.703 3.974 643 HD23 LEU 80 2HD2 LEU 80 -0.795 2.178 3.398 644 H CYS 81 H CYS 81 -2.989 6.806 4.862 645 HA CYS 81 HA CYS 81 -1.141 7.583 6.875 646 HB2 CYS 81 2HB CYS 81 -1.651 8.961 4.880 647 HB3 CYS 81 1HB CYS 81 -3.256 9.271 5.508 648 HG CYS 81 HG CYS 81 -2.630 11.068 7.301 649 H PHE 82 H PHE 82 -4.563 7.099 6.899 650 HA PHE 82 HA PHE 82 -5.100 8.471 9.356 651 HB2 PHE 82 2HB PHE 82 -6.790 8.127 7.508 652 HB3 PHE 82 1HB PHE 82 -6.758 6.427 7.888 653 HD1 PHE 82 HD2 PHE 82 -7.698 9.734 9.230 654 HD2 PHE 82 HD1 PHE 82 -8.043 5.512 9.641 655 HE1 PHE 82 HE2 PHE 82 -9.502 10.042 10.877 656 HE2 PHE 82 HE1 PHE 82 -9.847 5.814 11.284 657 HZ PHE 82 HZ PHE 82 -10.576 8.079 11.906 658 H GLU 83 H GLU 83 -4.984 5.052 8.408 659 HA GLU 83 HA GLU 83 -5.680 4.102 11.006 660 HB2 GLU 83 2HB GLU 83 -4.627 2.493 8.697 661 HB3 GLU 83 1HB GLU 83 -5.551 1.908 10.068 662 HG2 GLU 83 2HG GLU 83 -7.420 3.467 9.206 663 HG3 GLU 83 1HG GLU 83 -6.458 3.556 7.758 664 H LEU 84 H LEU 84 -2.662 4.682 9.400 665 HA LEU 84 HA LEU 84 -1.300 2.882 11.200 666 HB2 LEU 84 2HB LEU 84 -0.275 4.578 8.954 667 HB3 LEU 84 1HB LEU 84 0.750 3.572 9.962 668 HG LEU 84 HG LEU 84 -1.505 2.554 8.226 669 HD11 LEU 84 1HD1 LEU 84 0.244 1.645 6.831 670 HD12 LEU 84 2HD1 LEU 84 1.454 2.314 7.912 671 HD13 LEU 84 3HD1 LEU 84 0.434 3.400 6.962 672 HD21 LEU 84 3HD2 LEU 84 -1.190 1.143 10.171 673 HD22 LEU 84 1HD2 LEU 84 0.554 1.107 9.890 674 HD23 LEU 84 2HD2 LEU 84 -0.543 0.351 8.740 675 H ASP 85 H ASP 85 -2.559 5.614 11.813 676 HA ASP 85 HA ASP 85 -2.409 7.007 13.574 677 HB2 ASP 85 2HB ASP 85 -1.572 5.202 14.932 678 HB3 ASP 85 1HB ASP 85 0.053 5.415 14.295 679 H VAL 86 H VAL 86 0.809 6.590 12.253 680 HA VAL 86 HA VAL 86 1.585 9.261 12.767 681 HB VAL 86 HB VAL 86 3.323 7.596 12.623 682 HG11 VAL 86 1HG1 VAL 86 3.904 6.406 10.556 683 HG12 VAL 86 2HG1 VAL 86 2.487 7.099 9.771 684 HG13 VAL 86 3HG1 VAL 86 2.288 5.990 11.128 685 HG21 VAL 86 3HG2 VAL 86 3.508 9.448 10.249 686 HG22 VAL 86 1HG2 VAL 86 4.865 8.590 10.979 687 HG23 VAL 86 2HG2 VAL 86 3.992 9.812 11.904 688 HA PRO 87 HA PRO 87 -0.431 10.869 9.146 689 HB2 PRO 87 2HB PRO 87 -0.283 13.496 9.831 690 HB3 PRO 87 1HB PRO 87 -1.512 12.410 10.475 691 HG2 PRO 87 2HG PRO 87 0.865 13.544 11.793 692 HG3 PRO 87 1HG PRO 87 -0.625 12.918 12.511 693 HD2 PRO 87 2HD PRO 87 1.898 11.597 12.329 694 HD3 PRO 87 1HD PRO 87 0.367 10.931 12.926 695 H LEU 88 H LEU 88 1.516 10.087 8.007 696 HA LEU 88 HA LEU 88 3.711 11.742 7.776 697 HB2 LEU 88 2HB LEU 88 4.370 10.338 5.897 698 HB3 LEU 88 1HB LEU 88 4.018 9.481 7.368 699 HG LEU 88 HG LEU 88 3.344 8.177 5.809 700 HD11 LEU 88 1HD1 LEU 88 1.664 8.091 7.345 701 HD12 LEU 88 2HD1 LEU 88 0.945 7.824 5.758 702 HD13 LEU 88 3HD1 LEU 88 0.752 9.386 6.556 703 HD21 LEU 88 3HD2 LEU 88 1.910 8.637 3.802 704 HD22 LEU 88 1HD2 LEU 88 3.513 9.376 3.796 705 HD23 LEU 88 2HD2 LEU 88 2.092 10.347 4.185 706 H ASP 89 H ASP 89 0.665 11.719 6.248 707 HA ASP 89 HA ASP 89 -0.417 13.207 4.930 708 HB2 ASP 89 2HB ASP 89 0.760 14.798 6.600 709 HB3 ASP 89 1HB ASP 89 1.941 15.089 5.337 710 H MET 90 H MET 90 0.602 15.032 2.960 711 HA MET 90 HA MET 90 1.173 15.061 0.775 712 HB2 MET 90 2HB MET 90 3.462 14.781 1.923 713 HB3 MET 90 1HB MET 90 3.351 13.077 1.544 714 HG2 MET 90 2HG MET 90 3.449 13.481 -0.765 715 HG3 MET 90 1HG MET 90 3.240 15.219 -0.546 716 HE1 MET 90 3HE MET 90 6.693 16.269 0.971 717 HE2 MET 90 1HE MET 90 5.238 15.851 1.874 718 HE3 MET 90 2HE MET 90 5.118 16.823 0.408 719 H GLU 91 H GLU 91 -0.754 13.453 1.633 720 HA GLU 91 HA GLU 91 -0.969 10.773 1.061 721 HB2 GLU 91 2HB GLU 91 -2.447 12.173 2.397 722 HB3 GLU 91 1HB GLU 91 -3.062 12.931 0.942 723 HG2 GLU 91 2HG GLU 91 -4.013 10.758 0.274 724 HG3 GLU 91 1HG GLU 91 -3.397 10.063 1.779 725 H ILE 92 H ILE 92 -1.689 13.522 -1.104 726 HA ILE 92 HA ILE 92 -2.651 11.782 -3.191 727 HB ILE 92 HB ILE 92 -2.021 14.734 -3.117 728 HG12 ILE 92 2HG1 ILE 92 -3.896 14.211 -1.711 729 HG13 ILE 92 1HG1 ILE 92 -4.487 15.000 -3.167 730 HG21 ILE 92 1HG2 ILE 92 -1.758 13.888 -5.310 731 HG22 ILE 92 2HG2 ILE 92 -3.226 14.880 -5.221 732 HG23 ILE 92 3HG2 ILE 92 -3.343 13.108 -5.258 733 HD11 ILE 92 3HD1 ILE 92 -5.961 13.190 -2.610 734 HD12 ILE 92 1HD1 ILE 92 -4.610 12.055 -2.528 735 HD13 ILE 92 2HD1 ILE 92 -5.069 12.763 -4.068 736 HA PRO 93 HA PRO 93 1.761 12.522 -5.185 737 HB2 PRO 93 2HB PRO 93 2.969 12.761 -2.469 738 HB3 PRO 93 1HB PRO 93 3.668 13.321 -3.980 739 HG2 PRO 93 2HG PRO 93 2.517 15.126 -2.470 740 HG3 PRO 93 1HG PRO 93 2.036 15.069 -4.175 741 HD2 PRO 93 2HD PRO 93 0.525 14.079 -1.794 742 HD3 PRO 93 1HD PRO 93 -0.037 14.910 -3.257 743 H LEU 94 H LEU 94 1.176 11.064 -1.951 744 HA LEU 94 HA LEU 94 2.580 8.655 -2.444 745 HB2 LEU 94 2HB LEU 94 0.556 9.514 -0.475 746 HB3 LEU 94 1HB LEU 94 0.630 7.796 -0.778 747 HG LEU 94 HG LEU 94 1.862 8.345 1.182 748 HD11 LEU 94 1HD1 LEU 94 3.722 7.611 -1.069 749 HD12 LEU 94 2HD1 LEU 94 2.725 6.521 -0.108 750 HD13 LEU 94 3HD1 LEU 94 4.051 7.396 0.650 751 HD21 LEU 94 3HD2 LEU 94 2.401 10.662 0.735 752 HD22 LEU 94 1HD2 LEU 94 3.513 10.173 -0.542 753 HD23 LEU 94 2HD2 LEU 94 3.862 9.759 1.139 754 H VAL 95 H VAL 95 -0.840 9.491 -2.963 755 HA VAL 95 HA VAL 95 -1.317 6.949 -4.100 756 HB VAL 95 HB VAL 95 -3.235 8.157 -3.200 757 HG11 VAL 95 1HG1 VAL 95 -2.841 10.340 -4.942 758 HG12 VAL 95 2HG1 VAL 95 -2.998 10.032 -3.136 759 HG13 VAL 95 3HG1 VAL 95 -4.364 9.739 -4.198 760 HG21 VAL 95 3HG2 VAL 95 -4.802 8.140 -5.106 761 HG22 VAL 95 1HG2 VAL 95 -3.988 6.611 -4.772 762 HG23 VAL 95 2HG2 VAL 95 -3.436 7.646 -6.101 763 H SER 96 H SER 96 -0.467 9.882 -5.354 764 HA SER 96 HA SER 96 -0.533 9.222 -8.062 765 HB2 SER 96 2HB SER 96 0.890 11.204 -6.467 766 HB3 SER 96 1HB SER 96 0.921 11.293 -8.214 767 HG SER 96 HG SER 96 -1.162 11.601 -6.383 768 H ILE 97 H ILE 97 1.304 7.722 -5.855 769 HA ILE 97 HA ILE 97 3.940 7.649 -6.868 770 HB ILE 97 HB ILE 97 2.867 6.778 -4.608 771 HG12 ILE 97 2HG1 ILE 97 4.744 5.058 -4.440 772 HG13 ILE 97 1HG1 ILE 97 5.185 5.574 -6.072 773 HG21 ILE 97 1HG2 ILE 97 2.617 4.315 -4.572 774 HG22 ILE 97 2HG2 ILE 97 2.708 4.342 -6.347 775 HG23 ILE 97 3HG2 ILE 97 1.386 5.153 -5.535 776 HD11 ILE 97 3HD1 ILE 97 6.468 6.815 -4.430 777 HD12 ILE 97 1HD1 ILE 97 4.951 7.241 -3.633 778 HD13 ILE 97 2HD1 ILE 97 5.308 7.889 -5.238 779 H TRP 98 H TRP 98 0.969 6.352 -7.885 780 HA TRP 98 HA TRP 98 1.612 3.920 -9.011 781 HB2 TRP 98 2HB TRP 98 -0.471 4.297 -10.433 782 HB3 TRP 98 1HB TRP 98 -0.662 4.333 -8.688 783 HD1 TRP 98 HD1 TRP 98 0.661 7.423 -10.414 784 HE1 TRP 98 HE1 TRP 98 -1.158 9.301 -10.339 785 HE3 TRP 98 HE3 TRP 98 -3.203 4.720 -8.568 786 HZ2 TRP 98 HZ2 TRP 98 -3.820 9.545 -9.581 787 HZ3 TRP 98 HZ3 TRP 98 -5.344 5.839 -8.183 788 HH2 TRP 98 HH2 TRP 98 -5.649 8.195 -8.676 789 H GLY 99 H GLY 99 2.478 6.971 -10.165 790 HA2 GLY 99 2HA GLY 99 3.615 5.680 -12.521 791 HA3 GLY 99 1HA GLY 99 2.780 7.217 -12.704 792 HA PRO 100 HA PRO 100 6.706 8.163 -10.142 793 HB2 PRO 100 2HB PRO 100 8.514 6.248 -9.700 794 HB3 PRO 100 1HB PRO 100 7.026 6.298 -8.749 795 HG2 PRO 100 2HG PRO 100 7.754 4.524 -11.035 796 HG3 PRO 100 1HG PRO 100 6.842 4.143 -9.569 797 HD2 PRO 100 2HD PRO 100 5.754 4.724 -12.073 798 HD3 PRO 100 1HD PRO 100 4.871 4.748 -10.534 799 H ARG 101 H ARG 101 6.309 8.154 -12.838 800 HA ARG 101 HA ARG 101 8.952 8.452 -13.911 801 HB2 ARG 101 2HB ARG 101 8.177 7.174 -16.030 802 HB3 ARG 101 1HB ARG 101 8.681 6.221 -14.643 803 HG2 ARG 101 2HG ARG 101 6.358 5.846 -14.029 804 HG3 ARG 101 1HG ARG 101 5.828 6.855 -15.370 805 HD2 ARG 101 2HD ARG 101 6.662 5.283 -16.963 806 HD3 ARG 101 1HD ARG 101 7.459 4.342 -15.700 807 HE ARG 101 HE ARG 101 5.107 4.051 -14.813 808 HH11 ARG 101 1HH1 ARG 101 5.801 4.217 -18.310 809 HH12 ARG 101 2HH1 ARG 101 4.426 3.305 -18.719 810 HH21 ARG 101 1HH2 ARG 101 3.263 2.797 -15.438 811 HH22 ARG 101 2HH2 ARG 101 2.990 2.496 -17.098 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 -1.989 17.785 5.779 2 H2 GLY 1 2H GLY 1 -2.120 17.106 4.242 3 H3 GLY 1 3H GLY 1 -3.430 17.930 4.895 4 HA2 GLY 1 1HA GLY 1 -2.144 19.990 4.871 5 HA3 GLY 1 2HA GLY 1 -0.819 19.079 4.151 6 HA PRO 2 HA PRO 2 -4.490 19.545 0.978 7 HB2 PRO 2 2HB PRO 2 -5.294 22.296 1.676 8 HB3 PRO 2 1HB PRO 2 -6.319 20.898 1.339 9 HG2 PRO 2 2HG PRO 2 -6.099 21.868 3.806 10 HG3 PRO 2 1HG PRO 2 -6.188 20.119 3.521 11 HD2 PRO 2 2HD PRO 2 -3.785 21.824 4.065 12 HD3 PRO 2 1HD PRO 2 -4.232 20.253 4.768 13 H LEU 3 H LEU 3 -3.057 19.771 -0.663 14 HA LEU 3 HA LEU 3 -1.557 22.265 -0.908 15 HB2 LEU 3 2HB LEU 3 -1.468 19.855 -2.727 16 HB3 LEU 3 1HB LEU 3 -0.408 21.237 -2.805 17 HG LEU 3 HG LEU 3 0.923 19.629 -1.889 18 HD11 LEU 3 1HD1 LEU 3 -0.197 21.001 0.513 19 HD12 LEU 3 2HD1 LEU 3 1.099 21.565 -0.543 20 HD13 LEU 3 3HD1 LEU 3 1.330 20.119 0.441 21 HD21 LEU 3 3HD2 LEU 3 -1.360 18.673 -0.168 22 HD22 LEU 3 1HD2 LEU 3 0.275 18.013 -0.152 23 HD23 LEU 3 2HD2 LEU 3 -0.717 17.872 -1.603 24 H GLY 4 H GLY 4 -4.262 20.628 -2.228 25 HA2 GLY 4 2HA GLY 4 -5.909 22.124 -3.272 26 HA3 GLY 4 1HA GLY 4 -4.574 22.760 -4.231 27 H SER 5 H SER 5 -6.924 20.332 -3.907 28 HA SER 5 HA SER 5 -7.735 18.756 -5.241 29 HB2 SER 5 2HB SER 5 -5.837 19.883 -7.311 30 HB3 SER 5 1HB SER 5 -7.069 18.672 -7.654 31 HG SER 5 HG SER 5 -7.468 21.281 -6.644 32 H MET 6 H MET 6 -6.953 16.807 -6.751 33 HA MET 6 HA MET 6 -5.098 15.350 -5.099 34 HB2 MET 6 2HB MET 6 -7.282 14.436 -6.013 35 HB3 MET 6 1HB MET 6 -6.528 14.414 -7.596 36 HG2 MET 6 2HG MET 6 -6.471 12.165 -6.537 37 HG3 MET 6 1HG MET 6 -4.854 12.832 -6.783 38 HE1 MET 6 3HE MET 6 -6.970 12.965 -2.694 39 HE2 MET 6 1HE MET 6 -7.800 12.630 -4.212 40 HE3 MET 6 2HE MET 6 -7.160 14.245 -3.888 41 H ASP 7 H ASP 7 -5.041 17.173 -7.894 42 HA ASP 7 HA ASP 7 -2.790 15.813 -9.191 43 HB2 ASP 7 2HB ASP 7 -4.215 18.385 -9.871 44 HB3 ASP 7 1HB ASP 7 -3.013 17.576 -10.872 45 H ALA 8 H ALA 8 -2.633 17.200 -6.534 46 HA ALA 8 HA ALA 8 -0.668 19.276 -6.956 47 HB1 ALA 8 3HB ALA 8 -0.399 19.224 -4.531 48 HB2 ALA 8 1HB ALA 8 -1.393 17.772 -4.438 49 HB3 ALA 8 2HB ALA 8 -2.106 19.295 -4.970 50 H GLU 9 H GLU 9 -0.786 15.947 -6.756 51 HA GLU 9 HA GLU 9 1.735 15.217 -5.820 52 HB2 GLU 9 2HB GLU 9 1.263 13.123 -7.136 53 HB3 GLU 9 1HB GLU 9 0.129 13.525 -5.859 54 HG2 GLU 9 2HG GLU 9 -1.338 13.008 -7.517 55 HG3 GLU 9 1HG GLU 9 -1.096 14.715 -7.856 56 H SER 10 H SER 10 0.707 16.204 -8.970 57 HA SER 10 HA SER 10 2.846 15.432 -10.570 58 HB2 SER 10 2HB SER 10 1.161 17.914 -10.549 59 HB3 SER 10 1HB SER 10 2.149 17.424 -11.936 60 HG SER 10 HG SER 10 0.391 15.478 -10.954 61 H ILE 11 H ILE 11 2.401 18.102 -8.425 62 HA ILE 11 HA ILE 11 4.719 19.577 -9.103 63 HB ILE 11 HB ILE 11 2.653 19.770 -6.903 64 HG12 ILE 11 2HG1 ILE 11 1.604 21.498 -8.083 65 HG13 ILE 11 1HG1 ILE 11 2.881 21.647 -9.323 66 HG21 ILE 11 1HG2 ILE 11 4.674 20.812 -6.118 67 HG22 ILE 11 2HG2 ILE 11 3.477 22.056 -6.487 68 HG23 ILE 11 3HG2 ILE 11 4.807 21.752 -7.602 69 HD11 ILE 11 3HD1 ILE 11 0.724 20.809 -10.066 70 HD12 ILE 11 1HD1 ILE 11 0.789 19.501 -8.879 71 HD13 ILE 11 2HD1 ILE 11 1.966 19.571 -10.200 72 H ARG 12 H ARG 12 3.690 17.334 -6.565 73 HA ARG 12 HA ARG 12 6.098 17.740 -4.997 74 HB2 ARG 12 2HB ARG 12 3.757 15.906 -4.580 75 HB3 ARG 12 1HB ARG 12 5.014 16.259 -3.407 76 HG2 ARG 12 2HG ARG 12 3.066 18.266 -4.524 77 HG3 ARG 12 1HG ARG 12 2.926 17.480 -2.953 78 HD2 ARG 12 2HD ARG 12 4.891 18.563 -2.153 79 HD3 ARG 12 1HD ARG 12 5.305 19.158 -3.761 80 HE ARG 12 HE ARG 12 2.960 20.288 -3.443 81 HH11 ARG 12 1HH1 ARG 12 5.555 20.071 -0.991 82 HH12 ARG 12 2HH1 ARG 12 5.194 21.610 -0.351 83 HH21 ARG 12 1HH2 ARG 12 2.543 22.357 -2.542 84 HH22 ARG 12 2HH2 ARG 12 3.479 22.931 -1.236 85 H LEU 13 H LEU 13 5.265 15.972 -7.618 86 HA LEU 13 HA LEU 13 6.093 14.376 -8.835 87 HB2 LEU 13 2HB LEU 13 8.177 14.749 -6.894 88 HB3 LEU 13 1HB LEU 13 8.390 13.493 -8.138 89 HG LEU 13 HG LEU 13 8.097 16.491 -8.480 90 HD11 LEU 13 1HD1 LEU 13 10.284 14.576 -9.107 91 HD12 LEU 13 2HD1 LEU 13 10.262 15.730 -7.761 92 HD13 LEU 13 3HD1 LEU 13 10.325 16.313 -9.443 93 HD21 LEU 13 3HD2 LEU 13 8.436 16.061 -10.898 94 HD22 LEU 13 1HD2 LEU 13 6.906 15.414 -10.304 95 HD23 LEU 13 2HD2 LEU 13 8.268 14.335 -10.586 96 H ASN 14 H ASN 14 5.792 12.262 -9.154 97 HA ASN 14 HA ASN 14 5.128 10.576 -6.882 98 HB2 ASN 14 2HB ASN 14 5.445 9.745 -9.807 99 HB3 ASN 14 1HB ASN 14 4.693 8.801 -8.539 100 HD21 ASN 14 1HD2 ASN 14 3.146 11.192 -7.547 101 HD22 ASN 14 2HD2 ASN 14 1.920 11.432 -8.748 102 H ASN 15 H ASN 15 7.106 10.703 -5.860 103 HA ASN 15 HA ASN 15 9.454 9.797 -7.356 104 HB2 ASN 15 2HB ASN 15 9.563 12.038 -6.340 105 HB3 ASN 15 1HB ASN 15 9.301 11.329 -4.755 106 HD21 ASN 15 1HD2 ASN 15 11.545 11.762 -7.352 107 HD22 ASN 15 2HD2 ASN 15 12.948 11.285 -6.483 108 H GLU 16 H GLU 16 10.934 8.421 -6.429 109 HA GLU 16 HA GLU 16 10.134 6.015 -5.379 110 HB2 GLU 16 2HB GLU 16 12.828 7.324 -5.075 111 HB3 GLU 16 1HB GLU 16 12.491 5.602 -5.018 112 HG2 GLU 16 2HG GLU 16 11.916 5.569 -7.332 113 HG3 GLU 16 1HG GLU 16 12.006 7.325 -7.440 114 H ASN 17 H ASN 17 11.035 8.944 -3.717 115 HA ASN 17 HA ASN 17 11.651 8.072 -1.133 116 HB2 ASN 17 2HB ASN 17 11.909 10.393 -1.946 117 HB3 ASN 17 1HB ASN 17 10.170 10.562 -1.979 118 HD21 ASN 17 1HD2 ASN 17 12.018 8.967 0.631 119 HD22 ASN 17 2HD2 ASN 17 11.616 10.148 1.806 120 H LEU 18 H LEU 18 8.553 8.811 -2.631 121 HA LEU 18 HA LEU 18 6.978 8.503 -0.278 122 HB2 LEU 18 2HB LEU 18 6.196 8.295 -3.176 123 HB3 LEU 18 1HB LEU 18 5.042 8.232 -1.868 124 HG LEU 18 HG LEU 18 4.887 10.360 -2.797 125 HD11 LEU 18 1HD1 LEU 18 5.474 11.856 -1.063 126 HD12 LEU 18 2HD1 LEU 18 6.666 10.711 -0.431 127 HD13 LEU 18 3HD1 LEU 18 4.942 10.314 -0.375 128 HD21 LEU 18 3HD2 LEU 18 6.724 11.879 -3.146 129 HD22 LEU 18 1HD2 LEU 18 6.933 10.388 -4.078 130 HD23 LEU 18 2HD2 LEU 18 7.855 10.634 -2.582 131 H TRP 19 H TRP 19 7.950 6.407 -2.876 132 HA TRP 19 HA TRP 19 6.332 4.212 -2.150 133 HB2 TRP 19 2HB TRP 19 7.357 4.532 -4.416 134 HB3 TRP 19 1HB TRP 19 8.928 4.175 -3.712 135 HD1 TRP 19 HD1 TRP 19 9.641 1.712 -3.926 136 HE1 TRP 19 HE1 TRP 19 8.416 -0.535 -4.298 137 HE3 TRP 19 HE3 TRP 19 4.806 3.371 -3.826 138 HZ2 TRP 19 HZ2 TRP 19 5.780 -1.470 -4.503 139 HZ3 TRP 19 HZ3 TRP 19 3.000 1.738 -4.113 140 HH2 TRP 19 HH2 TRP 19 3.476 -0.634 -4.448 141 H ALA 20 H ALA 20 9.717 5.030 -1.537 142 HA ALA 20 HA ALA 20 10.315 2.738 -0.025 143 HB1 ALA 20 3HB ALA 20 11.627 5.446 0.129 144 HB2 ALA 20 1HB ALA 20 12.028 4.172 -1.026 145 HB3 ALA 20 2HB ALA 20 12.299 3.911 0.695 146 H TRP 21 H TRP 21 9.060 5.910 0.940 147 HA TRP 21 HA TRP 21 9.138 5.403 3.704 148 HB2 TRP 21 2HB TRP 21 8.795 7.686 3.111 149 HB3 TRP 21 1HB TRP 21 7.471 7.304 2.030 150 HD1 TRP 21 HD1 TRP 21 5.241 8.090 2.989 151 HE1 TRP 21 HE1 TRP 21 4.148 8.256 5.306 152 HE3 TRP 21 HE3 TRP 21 9.115 6.344 5.856 153 HZ2 TRP 21 HZ2 TRP 21 4.813 7.694 7.992 154 HZ3 TRP 21 HZ3 TRP 21 8.789 6.196 8.288 155 HH2 TRP 21 HH2 TRP 21 6.678 6.863 9.324 156 H LEU 22 H LEU 22 6.567 4.945 1.330 157 HA LEU 22 HA LEU 22 4.620 3.966 3.075 158 HB2 LEU 22 2HB LEU 22 4.247 4.737 0.742 159 HB3 LEU 22 1HB LEU 22 5.042 3.290 0.165 160 HG LEU 22 HG LEU 22 3.235 1.938 1.230 161 HD11 LEU 22 1HD1 LEU 22 1.961 4.634 1.669 162 HD12 LEU 22 2HD1 LEU 22 2.497 3.509 2.920 163 HD13 LEU 22 3HD1 LEU 22 1.160 3.077 1.860 164 HD21 LEU 22 3HD2 LEU 22 1.553 2.457 -0.476 165 HD22 LEU 22 1HD2 LEU 22 3.183 2.473 -1.147 166 HD23 LEU 22 2HD2 LEU 22 2.360 3.991 -0.800 167 H VAL 23 H VAL 23 6.890 2.234 0.979 168 HA VAL 23 HA VAL 23 6.159 -0.346 1.698 169 HB VAL 23 HB VAL 23 8.733 0.737 0.533 170 HG11 VAL 23 1HG1 VAL 23 7.940 -2.158 0.869 171 HG12 VAL 23 2HG1 VAL 23 9.264 -1.338 1.711 172 HG13 VAL 23 3HG1 VAL 23 9.325 -1.551 -0.042 173 HG21 VAL 23 3HG2 VAL 23 7.884 -0.301 -1.510 174 HG22 VAL 23 1HG2 VAL 23 6.764 0.898 -0.869 175 HG23 VAL 23 2HG2 VAL 23 6.438 -0.819 -0.644 176 H ARG 24 H ARG 24 8.602 1.777 3.189 177 HA ARG 24 HA ARG 24 9.616 -0.340 4.810 178 HB2 ARG 24 2HB ARG 24 10.939 1.698 4.236 179 HB3 ARG 24 1HB ARG 24 9.882 2.632 5.287 180 HG2 ARG 24 2HG ARG 24 10.554 1.253 7.189 181 HG3 ARG 24 1HG ARG 24 11.638 0.343 6.140 182 HD2 ARG 24 2HD ARG 24 12.850 2.450 5.654 183 HD3 ARG 24 1HD ARG 24 11.810 3.272 6.824 184 HE ARG 24 HE ARG 24 13.271 0.925 7.695 185 HH11 ARG 24 1HH1 ARG 24 13.084 4.482 7.752 186 HH12 ARG 24 2HH1 ARG 24 14.080 4.600 9.130 187 HH21 ARG 24 1HH2 ARG 24 14.621 1.165 9.562 188 HH22 ARG 24 2HH2 ARG 24 14.945 2.737 10.160 189 H LEU 25 H LEU 25 7.330 2.285 5.366 190 HA LEU 25 HA LEU 25 6.947 1.720 8.128 191 HB2 LEU 25 2HB LEU 25 6.464 3.874 6.817 192 HB3 LEU 25 1HB LEU 25 5.038 3.088 6.211 193 HG LEU 25 HG LEU 25 4.546 4.716 8.030 194 HD11 LEU 25 1HD1 LEU 25 3.036 2.945 7.657 195 HD12 LEU 25 2HD1 LEU 25 3.123 3.409 9.364 196 HD13 LEU 25 3HD1 LEU 25 3.920 1.922 8.800 197 HD21 LEU 25 3HD2 LEU 25 5.167 4.244 10.319 198 HD22 LEU 25 1HD2 LEU 25 6.603 4.439 9.316 199 HD23 LEU 25 2HD2 LEU 25 6.073 2.824 9.805 200 H LEU 26 H LEU 26 5.292 0.692 5.193 201 HA LEU 26 HA LEU 26 3.304 -0.871 6.507 202 HB2 LEU 26 2HB LEU 26 4.303 -0.862 3.728 203 HB3 LEU 26 1HB LEU 26 2.918 -1.772 4.326 204 HG LEU 26 HG LEU 26 3.205 1.192 3.996 205 HD11 LEU 26 1HD1 LEU 26 1.256 -0.828 3.730 206 HD12 LEU 26 2HD1 LEU 26 2.189 -0.178 2.328 207 HD13 LEU 26 3HD1 LEU 26 0.931 0.821 3.190 208 HD21 LEU 26 3HD2 LEU 26 1.191 1.508 5.361 209 HD22 LEU 26 1HD2 LEU 26 2.556 0.971 6.337 210 HD23 LEU 26 2HD2 LEU 26 1.285 -0.168 5.887 211 H SER 27 H SER 27 6.612 -1.504 5.552 212 HA SER 27 HA SER 27 6.469 -4.316 5.708 213 HB2 SER 27 2HB SER 27 8.338 -3.127 4.593 214 HB3 SER 27 1HB SER 27 8.797 -2.378 6.108 215 HG SER 27 HG SER 27 9.221 -4.948 5.166 216 H LYS 28 H LYS 28 6.467 -1.739 7.990 217 HA LYS 28 HA LYS 28 7.217 -3.431 10.170 218 HB2 LYS 28 2HB LYS 28 6.195 -0.630 10.359 219 HB3 LYS 28 1HB LYS 28 7.144 -1.516 11.546 220 HG2 LYS 28 2HG LYS 28 8.864 -1.648 9.534 221 HG3 LYS 28 1HG LYS 28 7.908 -0.332 8.992 222 HD2 LYS 28 2HD LYS 28 9.202 -0.396 11.699 223 HD3 LYS 28 1HD LYS 28 9.848 0.472 10.302 224 HE2 LYS 28 2HE LYS 28 7.935 1.922 10.256 225 HE3 LYS 28 1HE LYS 28 7.127 0.976 11.505 226 HZ1 LYS 28 3HZ LYS 28 8.936 1.601 13.021 227 HZ2 LYS 28 1HZ LYS 28 8.056 2.923 12.461 228 HZ3 LYS 28 2HZ LYS 28 9.581 2.617 11.835 229 H ASN 29 H ASN 29 4.492 -2.854 8.384 230 HA ASN 29 HA ASN 29 2.649 -3.504 10.549 231 HB2 ASN 29 2HB ASN 29 2.270 -1.424 8.427 232 HB3 ASN 29 1HB ASN 29 0.991 -2.015 9.323 233 HD21 ASN 29 1HD2 ASN 29 3.764 -0.046 9.471 234 HD22 ASN 29 2HD2 ASN 29 3.478 0.666 11.019 235 HA PRO 30 HA PRO 30 2.061 -5.901 6.442 236 HB2 PRO 30 2HB PRO 30 2.726 -8.321 7.997 237 HB3 PRO 30 1HB PRO 30 3.381 -7.799 6.442 238 HG2 PRO 30 2HG PRO 30 4.874 -7.762 8.665 239 HG3 PRO 30 1HG PRO 30 5.027 -6.499 7.428 240 HD2 PRO 30 2HD PRO 30 3.529 -6.419 10.028 241 HD3 PRO 30 1HD PRO 30 4.604 -5.194 9.328 242 H GLU 31 H GLU 31 1.383 -6.219 9.727 243 HA GLU 31 HA GLU 31 -0.805 -7.991 9.720 244 HB2 GLU 31 2HB GLU 31 -0.114 -5.824 11.702 245 HB3 GLU 31 1HB GLU 31 -1.113 -7.241 11.994 246 HG2 GLU 31 2HG GLU 31 0.790 -8.700 11.684 247 HG3 GLU 31 1HG GLU 31 1.806 -7.324 11.265 248 H TRP 32 H TRP 32 -0.555 -4.361 9.636 249 HA TRP 32 HA TRP 32 -3.399 -4.126 9.556 250 HB2 TRP 32 2HB TRP 32 -2.183 -2.271 10.483 251 HB3 TRP 32 1HB TRP 32 -1.143 -2.176 9.066 252 HD1 TRP 32 HD1 TRP 32 -4.684 -1.237 10.230 253 HE1 TRP 32 HE1 TRP 32 -5.654 0.466 8.570 254 HE3 TRP 32 HE3 TRP 32 -1.007 -1.373 6.728 255 HZ2 TRP 32 HZ2 TRP 32 -4.899 1.653 6.022 256 HZ3 TRP 32 HZ3 TRP 32 -1.176 0.001 4.763 257 HH2 TRP 32 HH2 TRP 32 -3.108 1.516 4.412 258 H LEU 33 H LEU 33 -0.766 -4.026 7.283 259 HA LEU 33 HA LEU 33 -2.123 -3.062 5.061 260 HB2 LEU 33 2HB LEU 33 0.359 -3.227 5.538 261 HB3 LEU 33 1HB LEU 33 0.267 -4.880 5.054 262 HG LEU 33 HG LEU 33 1.140 -3.211 3.306 263 HD11 LEU 33 1HD1 LEU 33 -0.053 -4.220 1.480 264 HD12 LEU 33 2HD1 LEU 33 -1.210 -4.879 2.644 265 HD13 LEU 33 3HD1 LEU 33 0.478 -5.446 2.656 266 HD21 LEU 33 3HD2 LEU 33 -0.442 -2.028 2.050 267 HD22 LEU 33 1HD2 LEU 33 -0.573 -1.532 3.733 268 HD23 LEU 33 2HD2 LEU 33 -1.776 -2.629 3.035 269 H SER 34 H SER 34 -1.488 -6.401 5.980 270 HA SER 34 HA SER 34 -2.639 -7.637 3.785 271 HB2 SER 34 2HB SER 34 -3.044 -9.587 5.375 272 HB3 SER 34 1HB SER 34 -1.388 -8.984 5.291 273 HG SER 34 HG SER 34 -1.538 -8.161 7.220 274 H ALA 35 H ALA 35 -4.249 -6.973 6.832 275 HA ALA 35 HA ALA 35 -6.845 -7.646 6.270 276 HB1 ALA 35 3HB ALA 35 -6.111 -6.999 8.480 277 HB2 ALA 35 1HB ALA 35 -7.535 -6.077 8.009 278 HB3 ALA 35 2HB ALA 35 -5.933 -5.327 7.956 279 H LYS 36 H LYS 36 -5.281 -4.554 5.476 280 HA LYS 36 HA LYS 36 -7.732 -3.551 4.320 281 HB2 LYS 36 2HB LYS 36 -4.915 -2.464 4.296 282 HB3 LYS 36 1HB LYS 36 -6.224 -1.690 3.413 283 HG2 LYS 36 2HG LYS 36 -6.199 -2.213 6.376 284 HG3 LYS 36 1HG LYS 36 -5.814 -0.672 5.608 285 HD2 LYS 36 2HD LYS 36 -8.439 -2.078 5.167 286 HD3 LYS 36 1HD LYS 36 -8.204 -0.910 6.487 287 HE2 LYS 36 2HE LYS 36 -7.649 0.761 4.777 288 HE3 LYS 36 1HE LYS 36 -7.884 -0.455 3.526 289 HZ1 LYS 36 3HZ LYS 36 -9.804 1.019 3.869 290 HZ2 LYS 36 1HZ LYS 36 -9.972 0.437 5.428 291 HZ3 LYS 36 2HZ LYS 36 -10.223 -0.605 4.143 292 H LEU 37 H LEU 37 -5.002 -5.238 3.079 293 HA LEU 37 HA LEU 37 -5.673 -5.033 0.382 294 HB2 LEU 37 2HB LEU 37 -4.566 -7.365 1.909 295 HB3 LEU 37 1HB LEU 37 -4.584 -7.252 0.174 296 HG LEU 37 HG LEU 37 -3.013 -5.545 2.071 297 HD11 LEU 37 1HD1 LEU 37 -2.119 -7.618 0.069 298 HD12 LEU 37 2HD1 LEU 37 -2.307 -7.906 1.788 299 HD13 LEU 37 3HD1 LEU 37 -1.108 -6.742 1.229 300 HD21 LEU 37 3HD2 LEU 37 -1.934 -4.641 0.043 301 HD22 LEU 37 1HD2 LEU 37 -3.652 -4.249 0.102 302 HD23 LEU 37 2HD2 LEU 37 -3.079 -5.538 -0.955 303 H ARG 38 H ARG 38 -6.851 -7.037 2.990 304 HA ARG 38 HA ARG 38 -8.379 -8.841 1.537 305 HB2 ARG 38 2HB ARG 38 -8.987 -7.819 4.273 306 HB3 ARG 38 1HB ARG 38 -9.524 -9.339 3.567 307 HG2 ARG 38 2HG ARG 38 -7.040 -9.989 3.395 308 HG3 ARG 38 1HG ARG 38 -6.742 -8.513 4.190 309 HD2 ARG 38 2HD ARG 38 -6.764 -10.233 5.787 310 HD3 ARG 38 1HD ARG 38 -8.152 -9.117 5.971 311 HE ARG 38 HE ARG 38 -8.919 -11.274 4.404 312 HH11 ARG 38 1HH1 ARG 38 -8.161 -10.629 7.819 313 HH12 ARG 38 2HH1 ARG 38 -9.201 -11.863 8.380 314 HH21 ARG 38 1HH2 ARG 38 -10.352 -12.901 5.228 315 HH22 ARG 38 2HH2 ARG 38 -10.450 -13.159 6.906 316 H SER 39 H SER 39 -9.047 -5.533 2.674 317 HA SER 39 HA SER 39 -11.763 -5.395 2.353 318 HB2 SER 39 2HB SER 39 -9.505 -3.552 2.365 319 HB3 SER 39 1HB SER 39 -11.145 -3.046 2.649 320 HG SER 39 HG SER 39 -10.453 -5.107 4.254 321 H PHE 40 H PHE 40 -8.976 -4.868 0.311 322 HA PHE 40 HA PHE 40 -10.519 -3.547 -1.823 323 HB2 PHE 40 2HB PHE 40 -7.619 -3.831 -1.213 324 HB3 PHE 40 1HB PHE 40 -8.216 -3.171 -2.750 325 HD1 PHE 40 HD1 PHE 40 -10.093 -1.369 -2.410 326 HD2 PHE 40 HD2 PHE 40 -7.211 -2.254 0.593 327 HE1 PHE 40 HE1 PHE 40 -10.484 0.842 -1.357 328 HE2 PHE 40 HE2 PHE 40 -7.575 -0.078 1.599 329 HZ PHE 40 HZ PHE 40 -9.215 1.480 0.647 330 H LEU 41 H LEU 41 -8.205 -6.266 -1.488 331 HA LEU 41 HA LEU 41 -9.011 -7.267 -4.092 332 HB2 LEU 41 2HB LEU 41 -6.952 -8.269 -2.161 333 HB3 LEU 41 1HB LEU 41 -7.127 -8.692 -3.852 334 HG LEU 41 HG LEU 41 -5.363 -7.377 -3.884 335 HD11 LEU 41 1HD1 LEU 41 -7.591 -5.463 -4.240 336 HD12 LEU 41 2HD1 LEU 41 -6.782 -6.423 -5.493 337 HD13 LEU 41 3HD1 LEU 41 -5.930 -5.100 -4.665 338 HD21 LEU 41 3HD2 LEU 41 -6.491 -5.570 -1.795 339 HD22 LEU 41 1HD2 LEU 41 -4.960 -5.312 -2.637 340 HD23 LEU 41 2HD2 LEU 41 -5.182 -6.743 -1.633 341 HA PRO 42 HA PRO 42 -11.697 -9.862 -1.516 342 HB2 PRO 42 2HB PRO 42 -13.231 -10.811 -3.513 343 HB3 PRO 42 1HB PRO 42 -13.399 -9.154 -2.919 344 HG2 PRO 42 2HG PRO 42 -11.949 -10.146 -5.354 345 HG3 PRO 42 1HG PRO 42 -13.016 -8.738 -5.186 346 HD2 PRO 42 2HD PRO 42 -10.291 -8.567 -5.169 347 HD3 PRO 42 1HD PRO 42 -11.338 -7.431 -4.315 348 H THR 43 H THR 43 -9.520 -10.740 -3.937 349 HA THR 43 HA THR 43 -9.844 -13.597 -3.431 350 HB THR 43 HB THR 43 -8.573 -13.692 -5.700 351 HG1 THR 43 HG1 THR 43 -8.112 -11.609 -6.189 352 HG21 THR 43 3HG2 THR 43 -11.345 -12.740 -5.265 353 HG22 THR 43 1HG2 THR 43 -10.821 -14.408 -5.285 354 HG23 THR 43 2HG2 THR 43 -10.812 -13.470 -6.808 355 H MET 44 H MET 44 -8.415 -11.831 -1.802 356 HA MET 44 HA MET 44 -5.778 -11.431 -2.180 357 HB2 MET 44 2HB MET 44 -7.457 -11.610 0.176 358 HB3 MET 44 1HB MET 44 -5.799 -11.989 0.441 359 HG2 MET 44 2HG MET 44 -6.891 -9.354 -0.613 360 HG3 MET 44 1HG MET 44 -6.304 -9.726 0.943 361 HE1 MET 44 3HE MET 44 -3.365 -9.209 -2.604 362 HE2 MET 44 1HE MET 44 -5.093 -9.381 -2.827 363 HE3 MET 44 2HE MET 44 -4.056 -10.802 -2.482 364 H ASP 45 H ASP 45 -4.374 -12.770 -2.795 365 HA ASP 45 HA ASP 45 -3.836 -15.181 -1.194 366 HB2 ASP 45 2HB ASP 45 -4.280 -15.562 -3.669 367 HB3 ASP 45 1HB ASP 45 -2.921 -14.511 -4.019 368 H LEU 46 H LEU 46 -3.180 -13.489 0.215 369 HA LEU 46 HA LEU 46 -0.893 -11.852 -0.532 370 HB2 LEU 46 2HB LEU 46 -1.439 -10.497 1.397 371 HB3 LEU 46 1HB LEU 46 -2.900 -10.855 0.499 372 HG LEU 46 HG LEU 46 -3.336 -12.680 2.259 373 HD11 LEU 46 1HD1 LEU 46 -1.369 -11.017 3.812 374 HD12 LEU 46 2HD1 LEU 46 -1.193 -12.714 3.366 375 HD13 LEU 46 3HD1 LEU 46 -2.459 -12.222 4.492 376 HD21 LEU 46 3HD2 LEU 46 -4.676 -10.683 2.034 377 HD22 LEU 46 1HD2 LEU 46 -3.510 -9.761 2.982 378 HD23 LEU 46 2HD2 LEU 46 -4.427 -11.064 3.736 379 H ASP 47 H ASP 47 -1.581 -14.692 1.073 380 HA ASP 47 HA ASP 47 0.333 -14.624 3.180 381 HB2 ASP 47 2HB ASP 47 -1.685 -16.039 3.245 382 HB3 ASP 47 1HB ASP 47 -1.053 -16.996 1.914 383 H CYS 48 H CYS 48 0.753 -14.899 -0.005 384 HA CYS 48 HA CYS 48 2.910 -16.800 -0.038 385 HB2 CYS 48 2HB CYS 48 1.903 -14.966 -2.203 386 HB3 CYS 48 1HB CYS 48 3.096 -16.244 -2.425 387 HG CYS 48 HG CYS 48 -0.027 -16.570 -2.879 388 H SER 49 H SER 49 4.401 -15.973 1.354 389 HA SER 49 HA SER 49 5.818 -13.601 0.402 390 HB2 SER 49 2HB SER 49 5.914 -14.862 3.154 391 HB3 SER 49 1HB SER 49 6.663 -13.341 2.666 392 HG SER 49 HG SER 49 3.887 -13.884 2.607 393 H TYR 50 H TYR 50 6.794 -14.876 -1.170 394 HA TYR 50 HA TYR 50 8.349 -17.131 -0.633 395 HB2 TYR 50 2HB TYR 50 9.582 -16.151 -2.837 396 HB3 TYR 50 1HB TYR 50 8.111 -17.118 -2.885 397 HD1 TYR 50 HD1 TYR 50 9.237 -13.542 -2.662 398 HD2 TYR 50 HD2 TYR 50 6.257 -16.264 -3.991 399 HE1 TYR 50 HE1 TYR 50 8.093 -11.712 -3.820 400 HE2 TYR 50 HE2 TYR 50 5.099 -14.439 -5.142 401 HH TYR 50 HH TYR 50 6.566 -11.394 -5.620 402 H GLU 51 H GLU 51 9.193 -13.911 -0.837 403 HA GLU 51 HA GLU 51 11.786 -14.377 0.321 404 HB2 GLU 51 2HB GLU 51 10.394 -12.036 -0.958 405 HB3 GLU 51 1HB GLU 51 11.978 -11.963 -0.239 406 HG2 GLU 51 2HG GLU 51 11.148 -13.546 -2.680 407 HG3 GLU 51 1HG GLU 51 12.144 -12.095 -2.654 408 HA PRO 52 HA PRO 52 10.150 -12.754 4.244 409 HB2 PRO 52 2HB PRO 52 12.238 -10.666 4.333 410 HB3 PRO 52 1HB PRO 52 11.953 -12.021 5.430 411 HG2 PRO 52 2HG PRO 52 14.020 -11.944 3.800 412 HG3 PRO 52 1HG PRO 52 13.180 -13.467 4.178 413 HD2 PRO 52 2HD PRO 52 13.003 -11.752 1.732 414 HD3 PRO 52 1HD PRO 52 13.058 -13.524 1.855 415 H SER 53 H SER 53 10.710 -10.012 5.076 416 HA SER 53 HA SER 53 8.299 -8.725 4.134 417 HB2 SER 53 2HB SER 53 10.478 -7.669 5.947 418 HB3 SER 53 1HB SER 53 8.814 -7.082 5.844 419 HG SER 53 HG SER 53 8.217 -9.294 6.389 420 H ASN 54 H ASN 54 10.099 -9.087 2.088 421 HA ASN 54 HA ASN 54 11.864 -7.010 1.437 422 HB2 ASN 54 2HB ASN 54 10.579 -9.277 0.077 423 HB3 ASN 54 1HB ASN 54 11.456 -8.130 -0.893 424 HD21 ASN 54 1HD2 ASN 54 13.096 -9.519 -1.461 425 HD22 ASN 54 2HD2 ASN 54 14.180 -10.243 -0.332 426 HA PRO 55 HA PRO 55 9.133 -4.013 -0.384 427 HB2 PRO 55 2HB PRO 55 10.829 -3.149 -2.409 428 HB3 PRO 55 1HB PRO 55 10.859 -2.563 -0.750 429 HG2 PRO 55 2HG PRO 55 12.593 -4.569 -2.070 430 HG3 PRO 55 1HG PRO 55 13.004 -3.358 -0.842 431 HD2 PRO 55 2HD PRO 55 12.669 -5.996 -0.299 432 HD3 PRO 55 1HD PRO 55 12.306 -4.731 0.887 433 H GLU 56 H GLU 56 10.736 -6.441 -2.320 434 HA GLU 56 HA GLU 56 9.140 -6.230 -4.669 435 HB2 GLU 56 2HB GLU 56 10.501 -8.711 -3.571 436 HB3 GLU 56 1HB GLU 56 9.848 -8.547 -5.185 437 HG2 GLU 56 2HG GLU 56 12.191 -8.367 -5.372 438 HG3 GLU 56 1HG GLU 56 11.549 -6.740 -5.562 439 H VAL 57 H VAL 57 8.899 -7.923 -1.683 440 HA VAL 57 HA VAL 57 6.665 -9.477 -2.405 441 HB VAL 57 HB VAL 57 7.910 -8.900 0.300 442 HG11 VAL 57 1HG1 VAL 57 6.714 -10.819 1.122 443 HG12 VAL 57 2HG1 VAL 57 5.878 -10.992 -0.429 444 HG13 VAL 57 3HG1 VAL 57 5.584 -9.566 0.590 445 HG21 VAL 57 3HG2 VAL 57 8.872 -11.075 0.090 446 HG22 VAL 57 1HG2 VAL 57 9.318 -10.083 -1.297 447 HG23 VAL 57 2HG2 VAL 57 8.067 -11.322 -1.462 448 H ILE 58 H ILE 58 7.238 -6.512 -0.677 449 HA ILE 58 HA ILE 58 4.599 -5.944 0.072 450 HB ILE 58 HB ILE 58 6.840 -4.026 -0.606 451 HG12 ILE 58 2HG1 ILE 58 7.465 -5.490 1.235 452 HG13 ILE 58 1HG1 ILE 58 7.143 -3.866 1.824 453 HG21 ILE 58 1HG2 ILE 58 4.277 -3.509 0.880 454 HG22 ILE 58 2HG2 ILE 58 4.709 -2.888 -0.710 455 HG23 ILE 58 3HG2 ILE 58 5.609 -2.358 0.719 456 HD11 ILE 58 3HD1 ILE 58 5.281 -6.219 2.070 457 HD12 ILE 58 1HD1 ILE 58 4.974 -4.579 2.660 458 HD13 ILE 58 2HD1 ILE 58 6.291 -5.535 3.342 459 H HIS 59 H HIS 59 6.477 -5.129 -2.835 460 HA HIS 59 HA HIS 59 4.597 -3.632 -4.244 461 HB2 HIS 59 2HB HIS 59 7.000 -3.925 -4.894 462 HB3 HIS 59 1HB HIS 59 6.626 -5.550 -5.438 463 HD1 HIS 59 HD1 HIS 59 5.298 -5.768 -7.729 464 HD2 HIS 59 HD2 HIS 59 6.159 -1.862 -6.570 465 HE1 HIS 59 HE1 HIS 59 4.821 -4.356 -9.718 466 HE2 HIS 59 HE2 HIS 59 4.982 -2.001 -8.840 467 H ARG 60 H ARG 60 5.057 -7.109 -4.124 468 HA ARG 60 HA ARG 60 3.276 -8.099 -5.964 469 HB2 ARG 60 2HB ARG 60 4.628 -9.637 -4.926 470 HB3 ARG 60 1HB ARG 60 4.480 -8.869 -3.371 471 HG2 ARG 60 2HG ARG 60 3.459 -10.891 -3.052 472 HG3 ARG 60 1HG ARG 60 2.128 -9.800 -3.325 473 HD2 ARG 60 2HD ARG 60 2.029 -10.489 -5.662 474 HD3 ARG 60 1HD ARG 60 3.311 -11.664 -5.346 475 HE ARG 60 HE ARG 60 0.960 -11.774 -3.651 476 HH11 ARG 60 1HH1 ARG 60 2.717 -13.293 -6.307 477 HH12 ARG 60 2HH1 ARG 60 1.839 -14.752 -6.223 478 HH21 ARG 60 1HH2 ARG 60 -0.230 -13.803 -3.551 479 HH22 ARG 60 2HH2 ARG 60 0.154 -15.057 -4.620 480 H GLN 61 H GLN 61 2.729 -7.264 -2.628 481 HA GLN 61 HA GLN 61 -0.045 -7.905 -2.523 482 HB2 GLN 61 2HB GLN 61 1.490 -6.026 -0.737 483 HB3 GLN 61 1HB GLN 61 0.007 -6.896 -0.361 484 HG2 GLN 61 2HG GLN 61 1.188 -8.988 -0.594 485 HG3 GLN 61 1HG GLN 61 2.680 -8.127 -0.916 486 HE21 GLN 61 1HE2 GLN 61 3.754 -8.919 0.818 487 HE22 GLN 61 2HE2 GLN 61 3.411 -8.493 2.451 488 H LEU 62 H LEU 62 1.711 -4.925 -2.692 489 HA LEU 62 HA LEU 62 -0.553 -3.212 -2.658 490 HB2 LEU 62 2HB LEU 62 2.357 -2.762 -3.158 491 HB3 LEU 62 1HB LEU 62 1.225 -1.479 -3.504 492 HG LEU 62 HG LEU 62 2.331 -1.222 -1.291 493 HD11 LEU 62 1HD1 LEU 62 -0.613 -1.741 -1.067 494 HD12 LEU 62 2HD1 LEU 62 0.138 -0.257 -1.645 495 HD13 LEU 62 3HD1 LEU 62 0.364 -0.768 0.031 496 HD21 LEU 62 3HD2 LEU 62 2.565 -3.584 -0.685 497 HD22 LEU 62 1HD2 LEU 62 0.817 -3.710 -0.521 498 HD23 LEU 62 2HD2 LEU 62 1.730 -2.674 0.576 499 H ASN 63 H ASN 63 1.203 -4.704 -5.290 500 HA ASN 63 HA ASN 63 0.629 -3.259 -7.516 501 HB2 ASN 63 2HB ASN 63 2.002 -5.343 -7.192 502 HB3 ASN 63 1HB ASN 63 0.503 -6.214 -7.101 503 HD21 ASN 63 1HD2 ASN 63 0.929 -7.455 -8.798 504 HD22 ASN 63 2HD2 ASN 63 0.870 -6.834 -10.403 505 H ARG 64 H ARG 64 -1.278 -5.576 -5.777 506 HA ARG 64 HA ARG 64 -3.398 -5.998 -7.529 507 HB2 ARG 64 2HB ARG 64 -3.130 -6.256 -4.559 508 HB3 ARG 64 1HB ARG 64 -4.609 -6.622 -5.438 509 HG2 ARG 64 2HG ARG 64 -2.018 -7.906 -6.150 510 HG3 ARG 64 1HG ARG 64 -3.067 -8.561 -4.884 511 HD2 ARG 64 2HD ARG 64 -4.871 -8.692 -6.458 512 HD3 ARG 64 1HD ARG 64 -3.857 -8.022 -7.740 513 HE ARG 64 HE ARG 64 -2.853 -10.409 -6.447 514 HH11 ARG 64 1HH1 ARG 64 -4.561 -9.071 -9.251 515 HH12 ARG 64 2HH1 ARG 64 -4.326 -10.437 -10.230 516 HH21 ARG 64 1HH2 ARG 64 -2.548 -12.307 -7.811 517 HH22 ARG 64 2HH2 ARG 64 -3.171 -12.317 -9.394 518 H LEU 65 H LEU 65 -2.848 -3.397 -5.243 519 HA LEU 65 HA LEU 65 -5.595 -2.574 -5.028 520 HB2 LEU 65 2HB LEU 65 -3.041 -1.103 -4.486 521 HB3 LEU 65 1HB LEU 65 -4.640 -0.548 -4.015 522 HG LEU 65 HG LEU 65 -3.317 -3.069 -3.013 523 HD11 LEU 65 1HD1 LEU 65 -3.806 -0.429 -1.726 524 HD12 LEU 65 2HD1 LEU 65 -2.225 -1.020 -2.279 525 HD13 LEU 65 3HD1 LEU 65 -3.083 -1.851 -0.961 526 HD21 LEU 65 3HD2 LEU 65 -5.105 -3.039 -1.389 527 HD22 LEU 65 1HD2 LEU 65 -5.739 -3.172 -3.031 528 HD23 LEU 65 2HD2 LEU 65 -5.799 -1.623 -2.182 529 H PHE 66 H PHE 66 -2.862 -1.607 -7.015 530 HA PHE 66 HA PHE 66 -4.310 0.490 -8.282 531 HB2 PHE 66 2HB PHE 66 -1.845 0.494 -8.262 532 HB3 PHE 66 1HB PHE 66 -1.831 -0.978 -9.231 533 HD1 PHE 66 HD2 PHE 66 -3.192 2.486 -9.310 534 HD2 PHE 66 HD1 PHE 66 -1.606 -0.782 -11.520 535 HE1 PHE 66 HE2 PHE 66 -3.271 3.840 -11.362 536 HE2 PHE 66 HE1 PHE 66 -1.691 0.560 -13.568 537 HZ PHE 66 HZ PHE 66 -2.525 2.874 -13.492 538 H ALA 67 H ALA 67 -3.965 -2.898 -8.731 539 HA ALA 67 HA ALA 67 -5.120 -3.098 -11.302 540 HB1 ALA 67 3HB ALA 67 -3.834 -4.934 -10.320 541 HB2 ALA 67 1HB ALA 67 -5.461 -5.478 -10.731 542 HB3 ALA 67 2HB ALA 67 -5.046 -5.122 -9.055 543 H GLN 68 H GLN 68 -6.483 -2.879 -8.003 544 HA GLN 68 HA GLN 68 -9.147 -3.315 -8.740 545 HB2 GLN 68 2HB GLN 68 -7.789 -1.889 -6.500 546 HB3 GLN 68 1HB GLN 68 -9.514 -1.826 -6.701 547 HG2 GLN 68 2HG GLN 68 -7.809 -3.943 -5.519 548 HG3 GLN 68 1HG GLN 68 -9.359 -3.406 -5.187 549 HE21 GLN 68 1HE2 GLN 68 -7.715 -5.638 -7.287 550 HE22 GLN 68 2HE2 GLN 68 -9.128 -6.455 -7.809 551 H GLY 69 H GLY 69 -7.186 -0.410 -8.110 552 HA2 GLY 69 2HA GLY 69 -8.500 1.236 -10.071 553 HA3 GLY 69 1HA GLY 69 -9.171 1.396 -8.493 554 H MET 70 H MET 70 -7.448 3.043 -10.343 555 HA MET 70 HA MET 70 -5.267 3.785 -8.652 556 HB2 MET 70 2HB MET 70 -5.160 5.847 -9.980 557 HB3 MET 70 1HB MET 70 -5.408 4.488 -11.060 558 HG2 MET 70 2HG MET 70 -7.790 5.054 -11.201 559 HG3 MET 70 1HG MET 70 -7.514 6.437 -10.143 560 HE1 MET 70 3HE MET 70 -8.147 8.158 -13.573 561 HE2 MET 70 1HE MET 70 -8.574 8.117 -11.861 562 HE3 MET 70 2HE MET 70 -8.953 6.743 -12.893 563 H ALA 71 H ALA 71 -8.619 4.288 -8.850 564 HA ALA 71 HA ALA 71 -8.984 6.371 -6.880 565 HB1 ALA 71 3HB ALA 71 -10.669 5.867 -8.585 566 HB2 ALA 71 1HB ALA 71 -11.322 5.591 -6.966 567 HB3 ALA 71 2HB ALA 71 -10.806 4.225 -7.963 568 H THR 72 H THR 72 -8.737 2.884 -6.961 569 HA THR 72 HA THR 72 -9.493 2.493 -4.275 570 HB THR 72 HB THR 72 -8.103 0.729 -6.301 571 HG1 THR 72 HG1 THR 72 -10.696 1.285 -5.517 572 HG21 THR 72 3HG2 THR 72 -8.629 -1.171 -4.702 573 HG22 THR 72 1HG2 THR 72 -9.113 -0.001 -3.514 574 HG23 THR 72 2HG2 THR 72 -7.436 -0.075 -4.022 575 H TRP 73 H TRP 73 -6.345 2.851 -5.890 576 HA TRP 73 HA TRP 73 -4.794 2.562 -3.545 577 HB2 TRP 73 2HB TRP 73 -3.915 2.678 -5.947 578 HB3 TRP 73 1HB TRP 73 -4.158 4.417 -5.863 579 HD1 TRP 73 HD1 TRP 73 -2.338 5.836 -4.372 580 HE1 TRP 73 HE1 TRP 73 -0.085 5.261 -3.460 581 HE3 TRP 73 HE3 TRP 73 -2.530 0.788 -4.983 582 HZ2 TRP 73 HZ2 TRP 73 1.498 2.989 -3.058 583 HZ3 TRP 73 HZ3 TRP 73 -0.569 -0.524 -4.307 584 HH2 TRP 73 HH2 TRP 73 1.410 0.567 -3.355 585 H LYS 74 H LYS 74 -6.531 5.395 -4.994 586 HA LYS 74 HA LYS 74 -5.796 7.100 -3.142 587 HB2 LYS 74 2HB LYS 74 -6.572 7.978 -5.109 588 HB3 LYS 74 1HB LYS 74 -7.970 6.899 -5.146 589 HG2 LYS 74 2HG LYS 74 -8.872 7.911 -3.476 590 HG3 LYS 74 1HG LYS 74 -7.521 9.020 -3.142 591 HD2 LYS 74 2HD LYS 74 -7.783 9.851 -5.460 592 HD3 LYS 74 1HD LYS 74 -9.305 8.934 -5.583 593 HE2 LYS 74 2HE LYS 74 -10.092 10.042 -3.641 594 HE3 LYS 74 1HE LYS 74 -8.558 10.936 -3.566 595 HZ1 LYS 74 3HZ LYS 74 -9.191 11.927 -5.804 596 HZ2 LYS 74 1HZ LYS 74 -10.305 12.337 -4.617 597 HZ3 LYS 74 2HZ LYS 74 -10.661 11.136 -5.696 598 H SER 75 H SER 75 -8.618 4.911 -3.005 599 HA SER 75 HA SER 75 -9.668 5.913 -0.689 600 HB2 SER 75 2HB SER 75 -9.488 3.173 -1.890 601 HB3 SER 75 1HB SER 75 -10.608 3.663 -0.638 602 HG SER 75 HG SER 75 -10.599 5.291 -2.888 603 H PHE 76 H PHE 76 -7.102 3.757 -1.447 604 HA PHE 76 HA PHE 76 -6.608 2.544 0.997 605 HB2 PHE 76 2HB PHE 76 -5.786 1.745 -1.169 606 HB3 PHE 76 1HB PHE 76 -4.681 3.087 -1.238 607 HD1 PHE 76 HD2 PHE 76 -5.551 0.231 0.964 608 HD2 PHE 76 HD1 PHE 76 -2.539 2.872 -0.449 609 HE1 PHE 76 HE2 PHE 76 -3.860 -1.045 2.207 610 HE2 PHE 76 HE1 PHE 76 -0.839 1.613 0.799 611 HZ PHE 76 HZ PHE 76 -1.511 -0.368 2.122 612 H ILE 77 H ILE 77 -4.900 5.486 -0.457 613 HA ILE 77 HA ILE 77 -3.222 5.578 1.807 614 HB ILE 77 HB ILE 77 -3.898 7.658 -0.229 615 HG12 ILE 77 2HG1 ILE 77 -2.876 5.749 -1.300 616 HG13 ILE 77 1HG1 ILE 77 -1.732 7.094 -1.162 617 HG21 ILE 77 1HG2 ILE 77 -1.466 7.628 1.597 618 HG22 ILE 77 2HG2 ILE 77 -2.900 8.634 1.846 619 HG23 ILE 77 3HG2 ILE 77 -1.895 8.864 0.406 620 HD11 ILE 77 3HD1 ILE 77 -0.693 5.018 -0.804 621 HD12 ILE 77 1HD1 ILE 77 -1.732 4.701 0.607 622 HD13 ILE 77 2HD1 ILE 77 -0.624 6.098 0.598 623 H ASN 78 H ASN 78 -6.320 6.904 1.110 624 HA ASN 78 HA ASN 78 -6.402 8.773 3.226 625 HB2 ASN 78 2HB ASN 78 -8.608 7.396 1.710 626 HB3 ASN 78 1HB ASN 78 -8.974 8.398 3.108 627 HD21 ASN 78 1HD2 ASN 78 -7.949 8.379 -0.213 628 HD22 ASN 78 2HD2 ASN 78 -8.061 10.082 -0.436 629 H ASP 79 H ASP 79 -7.244 5.325 3.116 630 HA ASP 79 HA ASP 79 -8.011 5.318 5.880 631 HB2 ASP 79 2HB ASP 79 -7.301 2.978 4.090 632 HB3 ASP 79 1HB ASP 79 -7.846 2.898 5.761 633 H LEU 80 H LEU 80 -5.148 4.591 4.056 634 HA LEU 80 HA LEU 80 -3.407 3.389 5.825 635 HB2 LEU 80 2HB LEU 80 -3.073 3.903 3.441 636 HB3 LEU 80 1HB LEU 80 -2.966 5.562 3.801 637 HG LEU 80 HG LEU 80 -0.837 4.779 3.164 638 HD11 LEU 80 1HD1 LEU 80 0.640 5.251 5.030 639 HD12 LEU 80 2HD1 LEU 80 -0.761 5.259 6.108 640 HD13 LEU 80 3HD1 LEU 80 -0.636 6.449 4.817 641 HD21 LEU 80 3HD2 LEU 80 0.346 3.024 4.294 642 HD22 LEU 80 1HD2 LEU 80 -1.176 2.521 3.541 643 HD23 LEU 80 2HD2 LEU 80 -1.109 2.754 5.295 644 H CYS 81 H CYS 81 -3.851 6.838 5.294 645 HA CYS 81 HA CYS 81 -2.136 7.728 7.346 646 HB2 CYS 81 2HB CYS 81 -4.466 9.199 6.105 647 HB3 CYS 81 1HB CYS 81 -3.131 9.928 6.991 648 HG CYS 81 HG CYS 81 -3.166 8.570 3.898 649 H PHE 82 H PHE 82 -5.574 7.035 7.329 650 HA PHE 82 HA PHE 82 -6.115 8.238 9.870 651 HB2 PHE 82 2HB PHE 82 -7.790 7.887 7.941 652 HB3 PHE 82 1HB PHE 82 -7.783 6.215 8.416 653 HD1 PHE 82 HD2 PHE 82 -8.436 9.585 9.823 654 HD2 PHE 82 HD1 PHE 82 -9.215 5.408 10.046 655 HE1 PHE 82 HE2 PHE 82 -10.159 10.003 11.526 656 HE2 PHE 82 HE1 PHE 82 -10.944 5.822 11.750 657 HZ PHE 82 HZ PHE 82 -11.417 8.120 12.491 658 H GLU 83 H GLU 83 -5.788 4.929 8.709 659 HA GLU 83 HA GLU 83 -6.364 3.795 11.229 660 HB2 GLU 83 2HB GLU 83 -5.550 2.709 8.619 661 HB3 GLU 83 1HB GLU 83 -5.607 1.692 10.053 662 HG2 GLU 83 2HG GLU 83 -7.883 3.323 8.980 663 HG3 GLU 83 1HG GLU 83 -7.639 1.584 8.805 664 H LEU 84 H LEU 84 -3.348 4.457 9.519 665 HA LEU 84 HA LEU 84 -1.889 2.909 11.466 666 HB2 LEU 84 2HB LEU 84 -0.947 4.708 9.254 667 HB3 LEU 84 1HB LEU 84 0.131 3.835 10.323 668 HG LEU 84 HG LEU 84 -1.850 2.572 8.424 669 HD11 LEU 84 1HD1 LEU 84 0.154 1.887 7.188 670 HD12 LEU 84 2HD1 LEU 84 1.149 2.807 8.314 671 HD13 LEU 84 3HD1 LEU 84 0.011 3.640 7.268 672 HD21 LEU 84 3HD2 LEU 84 -0.686 0.487 9.001 673 HD22 LEU 84 1HD2 LEU 84 -1.491 1.194 10.399 674 HD23 LEU 84 2HD2 LEU 84 0.256 1.354 10.211 675 H ASP 85 H ASP 85 -2.971 6.115 11.141 676 HA ASP 85 HA ASP 85 -2.951 7.897 12.472 677 HB2 ASP 85 2HB ASP 85 -1.699 6.046 14.509 678 HB3 ASP 85 1HB ASP 85 -2.048 7.733 14.854 679 H VAL 86 H VAL 86 -0.191 6.547 11.375 680 HA VAL 86 HA VAL 86 1.706 8.358 12.365 681 HB VAL 86 HB VAL 86 3.180 7.619 10.503 682 HG11 VAL 86 1HG1 VAL 86 3.068 6.239 12.491 683 HG12 VAL 86 2HG1 VAL 86 3.274 5.232 11.059 684 HG13 VAL 86 3HG1 VAL 86 1.692 5.361 11.828 685 HG21 VAL 86 3HG2 VAL 86 1.526 7.435 8.717 686 HG22 VAL 86 1HG2 VAL 86 0.768 6.071 9.539 687 HG23 VAL 86 2HG2 VAL 86 2.403 5.913 8.900 688 HA PRO 87 HA PRO 87 0.409 11.783 9.974 689 HB2 PRO 87 2HB PRO 87 2.328 13.546 10.624 690 HB3 PRO 87 1HB PRO 87 1.116 13.007 11.791 691 HG2 PRO 87 2HG PRO 87 3.973 12.234 11.536 692 HG3 PRO 87 1HG PRO 87 2.971 12.361 12.991 693 HD2 PRO 87 2HD PRO 87 3.630 9.995 11.619 694 HD3 PRO 87 1HD PRO 87 2.374 10.191 12.859 695 H LEU 88 H LEU 88 0.600 11.215 7.829 696 HA LEU 88 HA LEU 88 3.174 11.553 6.535 697 HB2 LEU 88 2HB LEU 88 0.469 11.007 5.288 698 HB3 LEU 88 1HB LEU 88 2.007 10.959 4.460 699 HG LEU 88 HG LEU 88 2.559 9.074 6.173 700 HD11 LEU 88 1HD1 LEU 88 -0.436 8.993 6.217 701 HD12 LEU 88 2HD1 LEU 88 0.638 9.287 7.587 702 HD13 LEU 88 3HD1 LEU 88 0.633 7.714 6.785 703 HD21 LEU 88 3HD2 LEU 88 2.429 8.753 3.794 704 HD22 LEU 88 1HD2 LEU 88 0.667 8.670 3.882 705 HD23 LEU 88 2HD2 LEU 88 1.647 7.410 4.636 706 H ASP 89 H ASP 89 0.013 12.976 6.760 707 HA ASP 89 HA ASP 89 -0.847 14.979 6.487 708 HB2 ASP 89 2HB ASP 89 1.036 15.840 7.813 709 HB3 ASP 89 1HB ASP 89 1.977 16.053 6.338 710 H MET 90 H MET 90 1.836 14.759 4.193 711 HA MET 90 HA MET 90 -0.046 15.773 2.206 712 HB2 MET 90 2HB MET 90 2.949 15.371 1.952 713 HB3 MET 90 1HB MET 90 1.911 15.949 0.655 714 HG2 MET 90 2HG MET 90 1.318 17.900 2.049 715 HG3 MET 90 1HG MET 90 2.439 17.328 3.280 716 HE1 MET 90 3HE MET 90 4.332 20.428 1.868 717 HE2 MET 90 1HE MET 90 3.788 19.595 3.325 718 HE3 MET 90 2HE MET 90 2.607 20.238 2.188 719 H GLU 91 H GLU 91 -1.282 14.087 2.138 720 HA GLU 91 HA GLU 91 -0.448 11.394 1.783 721 HB2 GLU 91 2HB GLU 91 -2.801 10.861 1.633 722 HB3 GLU 91 1HB GLU 91 -2.488 11.924 3.003 723 HG2 GLU 91 2HG GLU 91 -3.642 12.792 0.352 724 HG3 GLU 91 1HG GLU 91 -4.604 12.387 1.767 725 H ILE 92 H ILE 92 -1.412 13.915 -0.270 726 HA ILE 92 HA ILE 92 -2.443 12.649 -2.504 727 HB ILE 92 HB ILE 92 -0.776 15.171 -2.392 728 HG12 ILE 92 2HG1 ILE 92 -2.630 15.381 -0.876 729 HG13 ILE 92 1HG1 ILE 92 -2.905 16.374 -2.302 730 HG21 ILE 92 1HG2 ILE 92 -2.627 14.188 -4.477 731 HG22 ILE 92 2HG2 ILE 92 -0.867 14.446 -4.521 732 HG23 ILE 92 3HG2 ILE 92 -1.959 15.832 -4.383 733 HD11 ILE 92 3HD1 ILE 92 -4.946 15.314 -1.602 734 HD12 ILE 92 1HD1 ILE 92 -4.184 13.725 -1.686 735 HD13 ILE 92 2HD1 ILE 92 -4.433 14.660 -3.155 736 HA PRO 93 HA PRO 93 1.953 12.213 -4.572 737 HB2 PRO 93 2HB PRO 93 3.721 11.913 -2.261 738 HB3 PRO 93 1HB PRO 93 3.959 12.903 -3.702 739 HG2 PRO 93 2HG PRO 93 3.374 13.888 -1.179 740 HG3 PRO 93 1HG PRO 93 3.060 14.762 -2.674 741 HD2 PRO 93 2HD PRO 93 1.146 13.535 -0.871 742 HD3 PRO 93 1HD PRO 93 0.987 14.739 -2.148 743 H LEU 94 H LEU 94 1.436 10.844 -1.380 744 HA LEU 94 HA LEU 94 2.339 8.196 -1.826 745 HB2 LEU 94 2HB LEU 94 0.311 9.358 0.056 746 HB3 LEU 94 1HB LEU 94 0.569 7.639 -0.035 747 HG LEU 94 HG LEU 94 1.649 8.541 1.852 748 HD11 LEU 94 1HD1 LEU 94 2.618 6.718 0.803 749 HD12 LEU 94 2HD1 LEU 94 3.881 7.719 1.532 750 HD13 LEU 94 3HD1 LEU 94 3.636 7.729 -0.228 751 HD21 LEU 94 3HD2 LEU 94 3.034 10.402 -0.057 752 HD22 LEU 94 1HD2 LEU 94 3.577 10.130 1.610 753 HD23 LEU 94 2HD2 LEU 94 1.982 10.805 1.293 754 H VAL 95 H VAL 95 -0.692 9.779 -2.396 755 HA VAL 95 HA VAL 95 -2.065 7.267 -2.895 756 HB VAL 95 HB VAL 95 -3.002 9.400 -1.625 757 HG11 VAL 95 1HG1 VAL 95 -3.873 9.649 -4.254 758 HG12 VAL 95 2HG1 VAL 95 -2.585 10.752 -3.506 759 HG13 VAL 95 3HG1 VAL 95 -4.308 10.610 -2.829 760 HG21 VAL 95 3HG2 VAL 95 -4.412 8.099 -3.711 761 HG22 VAL 95 1HG2 VAL 95 -5.210 8.842 -2.342 762 HG23 VAL 95 2HG2 VAL 95 -4.193 7.359 -2.102 763 H SER 96 H SER 96 -0.750 9.746 -4.674 764 HA SER 96 HA SER 96 -2.108 8.661 -6.939 765 HB2 SER 96 2HB SER 96 -2.060 11.034 -6.489 766 HB3 SER 96 1HB SER 96 -0.336 11.079 -6.819 767 HG SER 96 HG SER 96 -0.753 11.156 -8.864 768 H ILE 97 H ILE 97 0.577 7.878 -5.407 769 HA ILE 97 HA ILE 97 2.508 7.908 -7.530 770 HB ILE 97 HB ILE 97 3.351 8.085 -5.226 771 HG12 ILE 97 2HG1 ILE 97 4.305 5.546 -6.569 772 HG13 ILE 97 1HG1 ILE 97 4.811 7.166 -7.019 773 HG21 ILE 97 1HG2 ILE 97 1.691 6.575 -4.161 774 HG22 ILE 97 2HG2 ILE 97 3.349 6.198 -3.685 775 HG23 ILE 97 3HG2 ILE 97 2.516 5.203 -4.884 776 HD11 ILE 97 3HD1 ILE 97 5.827 7.466 -4.862 777 HD12 ILE 97 1HD1 ILE 97 6.469 6.033 -5.658 778 HD13 ILE 97 2HD1 ILE 97 5.281 5.865 -4.353 779 H TRP 98 H TRP 98 0.610 5.260 -6.024 780 HA TRP 98 HA TRP 98 0.103 3.250 -6.538 781 HB2 TRP 98 2HB TRP 98 0.814 3.734 -9.435 782 HB3 TRP 98 1HB TRP 98 -0.369 2.659 -8.669 783 HD1 TRP 98 HD1 TRP 98 -2.240 4.286 -7.056 784 HE1 TRP 98 HE1 TRP 98 -3.629 6.256 -7.995 785 HE3 TRP 98 HE3 TRP 98 0.527 5.344 -11.209 786 HZ2 TRP 98 HZ2 TRP 98 -3.576 7.981 -10.185 787 HZ3 TRP 98 HZ3 TRP 98 -0.216 7.158 -12.677 788 HH2 TRP 98 HH2 TRP 98 -2.228 8.450 -12.175 789 H GLY 99 H GLY 99 3.200 4.219 -7.747 790 HA2 GLY 99 2HA GLY 99 5.157 3.113 -6.904 791 HA3 GLY 99 1HA GLY 99 4.269 1.594 -6.968 792 HA PRO 100 HA PRO 100 6.849 2.042 -10.878 793 HB2 PRO 100 2HB PRO 100 7.489 -0.752 -10.104 794 HB3 PRO 100 1HB PRO 100 8.572 0.519 -10.678 795 HG2 PRO 100 2HG PRO 100 8.582 -0.230 -8.115 796 HG3 PRO 100 1HG PRO 100 8.782 1.472 -8.574 797 HD2 PRO 100 2HD PRO 100 6.362 0.066 -7.518 798 HD3 PRO 100 1HD PRO 100 6.986 1.683 -7.133 799 H ARG 101 H ARG 101 5.244 1.923 -12.358 800 HA ARG 101 HA ARG 101 3.511 -0.382 -12.434 801 HB2 ARG 101 2HB ARG 101 2.503 1.851 -12.481 802 HB3 ARG 101 1HB ARG 101 3.455 2.268 -13.892 803 HG2 ARG 101 2HG ARG 101 2.355 0.500 -15.134 804 HG3 ARG 101 1HG ARG 101 1.344 0.155 -13.724 805 HD2 ARG 101 2HD ARG 101 0.535 2.512 -13.812 806 HD3 ARG 101 1HD ARG 101 1.442 2.727 -15.311 807 HE ARG 101 HE ARG 101 -0.158 0.491 -15.595 808 HH11 ARG 101 1HH1 ARG 101 -0.558 4.026 -15.378 809 HH12 ARG 101 2HH1 ARG 101 -2.091 4.024 -16.095 810 HH21 ARG 101 1HH2 ARG 101 -2.300 0.505 -16.543 811 HH22 ARG 101 2HH2 ARG 101 -3.112 1.978 -16.760 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 -5.826 20.540 6.224 2 H2 GLY 1 2H GLY 1 -5.539 19.908 7.739 3 H3 GLY 1 3H GLY 1 -6.292 21.433 7.570 4 HA2 GLY 1 1HA GLY 1 -7.912 19.673 8.090 5 HA3 GLY 1 2HA GLY 1 -8.179 20.412 6.509 6 HA PRO 2 HA PRO 2 -6.938 15.699 6.458 7 HB2 PRO 2 2HB PRO 2 -9.355 14.453 6.837 8 HB3 PRO 2 1HB PRO 2 -8.166 14.725 8.113 9 HG2 PRO 2 2HG PRO 2 -10.627 16.296 7.454 10 HG3 PRO 2 1HG PRO 2 -9.981 15.841 9.039 11 HD2 PRO 2 2HD PRO 2 -9.665 18.314 8.022 12 HD3 PRO 2 1HD PRO 2 -8.428 17.545 9.033 13 H LEU 3 H LEU 3 -9.656 17.489 5.154 14 HA LEU 3 HA LEU 3 -9.548 15.807 2.763 15 HB2 LEU 3 2HB LEU 3 -11.766 17.595 3.758 16 HB3 LEU 3 1HB LEU 3 -11.735 16.914 2.151 17 HG LEU 3 HG LEU 3 -11.705 14.625 3.265 18 HD11 LEU 3 1HD1 LEU 3 -12.616 14.457 5.511 19 HD12 LEU 3 2HD1 LEU 3 -12.529 16.211 5.680 20 HD13 LEU 3 3HD1 LEU 3 -11.048 15.269 5.496 21 HD21 LEU 3 3HD2 LEU 3 -14.120 14.639 3.608 22 HD22 LEU 3 1HD2 LEU 3 -13.623 15.516 2.160 23 HD23 LEU 3 2HD2 LEU 3 -14.093 16.408 3.610 24 H GLY 4 H GLY 4 -9.626 16.858 0.710 25 HA2 GLY 4 2HA GLY 4 -9.301 19.670 0.463 26 HA3 GLY 4 1HA GLY 4 -7.761 18.831 0.312 27 H SER 5 H SER 5 -7.351 17.597 -1.466 28 HA SER 5 HA SER 5 -9.427 17.334 -3.492 29 HB2 SER 5 2HB SER 5 -6.673 18.466 -3.956 30 HB3 SER 5 1HB SER 5 -7.846 18.103 -5.221 31 HG SER 5 HG SER 5 -9.254 19.617 -3.956 32 H MET 6 H MET 6 -9.469 15.262 -4.074 33 HA MET 6 HA MET 6 -7.323 13.561 -3.232 34 HB2 MET 6 2HB MET 6 -9.728 12.994 -3.008 35 HB3 MET 6 1HB MET 6 -9.837 12.871 -4.749 36 HG2 MET 6 2HG MET 6 -9.682 10.685 -3.661 37 HG3 MET 6 1HG MET 6 -8.346 10.980 -4.767 38 HE1 MET 6 3HE MET 6 -7.836 11.375 -0.169 39 HE2 MET 6 1HE MET 6 -9.394 11.062 -0.928 40 HE3 MET 6 2HE MET 6 -8.592 12.612 -1.169 41 H ASP 7 H ASP 7 -8.067 15.275 -5.970 42 HA ASP 7 HA ASP 7 -6.215 13.658 -7.659 43 HB2 ASP 7 2HB ASP 7 -8.207 15.764 -8.538 44 HB3 ASP 7 1HB ASP 7 -7.120 14.833 -9.566 45 H ALA 8 H ALA 8 -5.585 15.622 -5.505 46 HA ALA 8 HA ALA 8 -4.096 17.667 -6.939 47 HB1 ALA 8 3HB ALA 8 -4.078 16.802 -4.043 48 HB2 ALA 8 1HB ALA 8 -4.847 18.222 -4.724 49 HB3 ALA 8 2HB ALA 8 -3.082 18.119 -4.666 50 H GLU 9 H GLU 9 -3.772 14.493 -6.526 51 HA GLU 9 HA GLU 9 -0.995 14.161 -6.091 52 HB2 GLU 9 2HB GLU 9 -1.647 11.761 -7.034 53 HB3 GLU 9 1HB GLU 9 -2.072 12.292 -5.414 54 HG2 GLU 9 2HG GLU 9 -4.034 11.250 -6.317 55 HG3 GLU 9 1HG GLU 9 -4.286 12.991 -6.325 56 H SER 10 H SER 10 -2.970 14.481 -8.820 57 HA SER 10 HA SER 10 -1.396 13.901 -10.994 58 HB2 SER 10 2HB SER 10 -3.263 16.150 -10.391 59 HB3 SER 10 1HB SER 10 -2.801 15.708 -12.052 60 HG SER 10 HG SER 10 -4.050 13.915 -10.190 61 H ILE 11 H ILE 11 -1.305 16.533 -8.744 62 HA ILE 11 HA ILE 11 0.347 18.278 -10.262 63 HB ILE 11 HB ILE 11 -0.840 18.389 -7.489 64 HG12 ILE 11 2HG1 ILE 11 -2.473 19.847 -8.258 65 HG13 ILE 11 1HG1 ILE 11 -1.786 20.063 -9.890 66 HG21 ILE 11 1HG2 ILE 11 0.601 20.547 -9.003 67 HG22 ILE 11 2HG2 ILE 11 1.138 19.751 -7.526 68 HG23 ILE 11 3HG2 ILE 11 -0.290 20.789 -7.501 69 HD11 ILE 11 3HD1 ILE 11 -3.101 17.620 -8.670 70 HD12 ILE 11 1HD1 ILE 11 -2.643 17.880 -10.339 71 HD13 ILE 11 2HD1 ILE 11 -3.953 18.840 -9.621 72 H ARG 12 H ARG 12 0.725 15.930 -7.622 73 HA ARG 12 HA ARG 12 2.946 17.297 -6.459 74 HB2 ARG 12 2HB ARG 12 1.799 14.597 -5.901 75 HB3 ARG 12 1HB ARG 12 3.043 15.367 -4.942 76 HG2 ARG 12 2HG ARG 12 0.169 16.210 -5.281 77 HG3 ARG 12 1HG ARG 12 0.969 15.666 -3.807 78 HD2 ARG 12 2HD ARG 12 1.441 18.253 -5.293 79 HD3 ARG 12 1HD ARG 12 0.682 18.055 -3.720 80 HE ARG 12 HE ARG 12 3.175 16.966 -3.442 81 HH11 ARG 12 1HH1 ARG 12 1.922 20.165 -4.336 82 HH12 ARG 12 2HH1 ARG 12 3.297 21.005 -3.783 83 HH21 ARG 12 1HH2 ARG 12 5.056 18.121 -2.687 84 HH22 ARG 12 2HH2 ARG 12 5.109 19.811 -2.809 85 H LEU 13 H LEU 13 2.848 13.918 -7.704 86 HA LEU 13 HA LEU 13 4.349 12.539 -8.406 87 HB2 LEU 13 2HB LEU 13 4.977 14.991 -9.830 88 HB3 LEU 13 1HB LEU 13 6.004 13.584 -10.155 89 HG LEU 13 HG LEU 13 4.398 13.653 -11.893 90 HD11 LEU 13 1HD1 LEU 13 3.000 11.706 -11.607 91 HD12 LEU 13 2HD1 LEU 13 3.259 11.743 -9.872 92 HD13 LEU 13 3HD1 LEU 13 4.617 11.435 -10.961 93 HD21 LEU 13 3HD2 LEU 13 1.986 13.923 -11.536 94 HD22 LEU 13 1HD2 LEU 13 2.902 15.315 -10.964 95 HD23 LEU 13 2HD2 LEU 13 2.280 14.138 -9.811 96 H ASN 14 H ASN 14 6.812 12.175 -8.958 97 HA ASN 14 HA ASN 14 8.852 11.683 -8.181 98 HB2 ASN 14 2HB ASN 14 9.394 14.068 -8.039 99 HB3 ASN 14 1HB ASN 14 8.604 14.186 -6.471 100 HD21 ASN 14 1HD2 ASN 14 10.373 14.785 -5.320 101 HD22 ASN 14 2HD2 ASN 14 11.749 13.782 -5.043 102 H ASN 15 H ASN 15 9.448 10.075 -6.823 103 HA ASN 15 HA ASN 15 8.159 9.997 -4.209 104 HB2 ASN 15 2HB ASN 15 7.087 7.913 -4.562 105 HB3 ASN 15 1HB ASN 15 6.495 9.100 -5.718 106 HD21 ASN 15 1HD2 ASN 15 7.015 8.835 -7.915 107 HD22 ASN 15 2HD2 ASN 15 7.626 7.365 -8.563 108 H GLU 16 H GLU 16 11.041 9.913 -5.132 109 HA GLU 16 HA GLU 16 11.867 7.192 -4.908 110 HB2 GLU 16 2HB GLU 16 13.504 9.698 -4.587 111 HB3 GLU 16 1HB GLU 16 14.170 8.076 -4.599 112 HG2 GLU 16 2HG GLU 16 13.244 7.771 -6.869 113 HG3 GLU 16 1HG GLU 16 12.750 9.466 -6.846 114 H ASN 17 H ASN 17 11.986 9.778 -2.490 115 HA ASN 17 HA ASN 17 12.963 7.960 -0.449 116 HB2 ASN 17 2HB ASN 17 13.142 10.593 -0.525 117 HB3 ASN 17 1HB ASN 17 11.531 10.524 0.151 118 HD21 ASN 17 1HD2 ASN 17 11.207 9.714 2.249 119 HD22 ASN 17 2HD2 ASN 17 12.523 9.473 3.330 120 H LEU 18 H LEU 18 10.007 9.176 -1.579 121 HA LEU 18 HA LEU 18 8.068 8.471 0.324 122 HB2 LEU 18 2HB LEU 18 8.242 9.375 -2.256 123 HB3 LEU 18 1HB LEU 18 7.281 7.907 -2.313 124 HG LEU 18 HG LEU 18 6.139 9.059 -0.235 125 HD11 LEU 18 1HD1 LEU 18 5.842 11.435 -0.637 126 HD12 LEU 18 2HD1 LEU 18 7.065 11.350 -1.914 127 HD13 LEU 18 3HD1 LEU 18 7.528 11.030 -0.242 128 HD21 LEU 18 3HD2 LEU 18 4.544 9.932 -1.898 129 HD22 LEU 18 1HD2 LEU 18 5.079 8.227 -1.943 130 HD23 LEU 18 2HD2 LEU 18 5.749 9.393 -3.110 131 H TRP 19 H TRP 19 9.352 6.602 -2.412 132 HA TRP 19 HA TRP 19 7.844 4.299 -2.007 133 HB2 TRP 19 2HB TRP 19 9.009 4.726 -4.097 134 HB3 TRP 19 1HB TRP 19 10.564 4.671 -3.293 135 HD1 TRP 19 HD1 TRP 19 11.684 2.325 -3.015 136 HE1 TRP 19 HE1 TRP 19 11.063 -0.053 -3.704 137 HE3 TRP 19 HE3 TRP 19 6.823 3.132 -4.411 138 HZ2 TRP 19 HZ2 TRP 19 8.807 -1.429 -4.701 139 HZ3 TRP 19 HZ3 TRP 19 5.505 1.217 -5.211 140 HH2 TRP 19 HH2 TRP 19 6.482 -1.011 -5.355 141 H ALA 20 H ALA 20 11.065 5.117 -0.834 142 HA ALA 20 HA ALA 20 11.436 2.620 0.447 143 HB1 ALA 20 3HB ALA 20 12.861 5.222 0.954 144 HB2 ALA 20 1HB ALA 20 13.306 4.006 -0.250 145 HB3 ALA 20 2HB ALA 20 13.383 3.609 1.466 146 H TRP 21 H TRP 21 9.992 5.635 1.434 147 HA TRP 21 HA TRP 21 9.855 4.988 4.190 148 HB2 TRP 21 2HB TRP 21 9.556 7.291 3.673 149 HB3 TRP 21 1HB TRP 21 8.352 6.936 2.442 150 HD1 TRP 21 HD1 TRP 21 5.959 7.393 3.142 151 HE1 TRP 21 HE1 TRP 21 4.663 7.567 5.352 152 HE3 TRP 21 HE3 TRP 21 9.704 6.166 6.409 153 HZ2 TRP 21 HZ2 TRP 21 5.131 7.226 8.088 154 HZ3 TRP 21 HZ3 TRP 21 9.178 6.106 8.812 155 HH2 TRP 21 HH2 TRP 21 6.931 6.620 9.626 156 H LEU 22 H LEU 22 7.541 4.718 1.523 157 HA LEU 22 HA LEU 22 5.426 3.675 3.046 158 HB2 LEU 22 2HB LEU 22 5.173 4.702 0.813 159 HB3 LEU 22 1HB LEU 22 5.986 3.326 0.099 160 HG LEU 22 HG LEU 22 4.120 1.873 0.873 161 HD11 LEU 22 1HD1 LEU 22 2.828 4.484 1.648 162 HD12 LEU 22 2HD1 LEU 22 3.326 3.195 2.743 163 HD13 LEU 22 3HD1 LEU 22 2.025 2.916 1.588 164 HD21 LEU 22 3HD2 LEU 22 4.157 2.737 -1.405 165 HD22 LEU 22 1HD2 LEU 22 3.323 4.200 -0.876 166 HD23 LEU 22 2HD2 LEU 22 2.503 2.642 -0.800 167 H VAL 23 H VAL 23 7.795 2.085 0.975 168 HA VAL 23 HA VAL 23 6.880 -0.515 1.340 169 HB VAL 23 HB VAL 23 9.536 0.599 0.458 170 HG11 VAL 23 1HG1 VAL 23 10.022 -1.536 1.518 171 HG12 VAL 23 2HG1 VAL 23 10.171 -1.645 -0.235 172 HG13 VAL 23 3HG1 VAL 23 8.740 -2.310 0.576 173 HG21 VAL 23 3HG2 VAL 23 8.811 -0.302 -1.696 174 HG22 VAL 23 1HG2 VAL 23 7.662 0.861 -1.037 175 HG23 VAL 23 2HG2 VAL 23 7.317 -0.866 -0.946 176 H ARG 24 H ARG 24 9.348 1.269 3.165 177 HA ARG 24 HA ARG 24 10.053 -1.033 4.681 178 HB2 ARG 24 2HB ARG 24 11.660 0.768 4.355 179 HB3 ARG 24 1HB ARG 24 10.607 1.886 5.208 180 HG2 ARG 24 2HG ARG 24 10.883 0.546 7.255 181 HG3 ARG 24 1HG ARG 24 11.986 -0.517 6.380 182 HD2 ARG 24 2HD ARG 24 13.518 1.295 6.007 183 HD3 ARG 24 1HD ARG 24 12.386 2.443 6.722 184 HE ARG 24 HE ARG 24 13.029 0.352 8.512 185 HH11 ARG 24 1HH1 ARG 24 14.339 3.324 7.134 186 HH12 ARG 24 2HH1 ARG 24 15.280 3.751 8.480 187 HH21 ARG 24 1HH2 ARG 24 14.313 0.911 10.412 188 HH22 ARG 24 2HH2 ARG 24 15.287 2.310 10.399 189 H LEU 25 H LEU 25 7.925 1.723 5.225 190 HA LEU 25 HA LEU 25 7.385 1.157 7.934 191 HB2 LEU 25 2HB LEU 25 7.022 3.317 6.584 192 HB3 LEU 25 1HB LEU 25 5.547 2.588 6.012 193 HG LEU 25 HG LEU 25 5.209 4.249 7.842 194 HD11 LEU 25 1HD1 LEU 25 4.414 1.477 8.631 195 HD12 LEU 25 2HD1 LEU 25 3.589 2.514 7.469 196 HD13 LEU 25 3HD1 LEU 25 3.681 2.996 9.172 197 HD21 LEU 25 3HD2 LEU 25 5.816 3.678 10.106 198 HD22 LEU 25 1HD2 LEU 25 7.245 3.835 9.089 199 HD23 LEU 25 2HD2 LEU 25 6.654 2.234 9.547 200 H LEU 26 H LEU 26 5.739 0.255 4.931 201 HA LEU 26 HA LEU 26 3.645 -1.195 6.192 202 HB2 LEU 26 2HB LEU 26 4.687 -1.207 3.422 203 HB3 LEU 26 1HB LEU 26 3.232 -2.025 3.975 204 HG LEU 26 HG LEU 26 3.713 0.888 3.563 205 HD11 LEU 26 1HD1 LEU 26 1.574 -0.968 3.560 206 HD12 LEU 26 2HD1 LEU 26 2.473 -0.506 2.068 207 HD13 LEU 26 3HD1 LEU 26 1.367 0.664 2.915 208 HD21 LEU 26 3HD2 LEU 26 1.899 1.506 5.069 209 HD22 LEU 26 1HD2 LEU 26 3.222 0.788 5.975 210 HD23 LEU 26 2HD2 LEU 26 1.771 -0.157 5.636 211 H SER 27 H SER 27 6.911 -1.969 5.343 212 HA SER 27 HA SER 27 6.628 -4.769 5.270 213 HB2 SER 27 2HB SER 27 8.566 -3.538 4.329 214 HB3 SER 27 1HB SER 27 9.001 -2.986 5.936 215 HG SER 27 HG SER 27 9.192 -5.524 4.779 216 H LYS 28 H LYS 28 6.752 -2.358 7.749 217 HA LYS 28 HA LYS 28 7.357 -4.157 9.897 218 HB2 LYS 28 2HB LYS 28 6.187 -1.439 10.211 219 HB3 LYS 28 1HB LYS 28 7.239 -2.325 11.302 220 HG2 LYS 28 2HG LYS 28 8.982 -2.155 9.450 221 HG3 LYS 28 1HG LYS 28 7.860 -1.051 8.733 222 HD2 LYS 28 2HD LYS 28 7.779 0.267 10.833 223 HD3 LYS 28 1HD LYS 28 9.066 -0.784 11.436 224 HE2 LYS 28 2HE LYS 28 10.498 -0.060 9.558 225 HE3 LYS 28 1HE LYS 28 9.220 1.034 9.043 226 HZ1 LYS 28 3HZ LYS 28 10.853 2.235 10.337 227 HZ2 LYS 28 1HZ LYS 28 10.690 1.166 11.619 228 HZ3 LYS 28 2HZ LYS 28 9.421 2.181 11.200 229 H ASN 29 H ASN 29 4.662 -3.310 8.032 230 HA ASN 29 HA ASN 29 2.742 -3.963 10.127 231 HB2 ASN 29 2HB ASN 29 2.621 -1.735 8.148 232 HB3 ASN 29 1HB ASN 29 1.222 -2.270 8.934 233 HD21 ASN 29 1HD2 ASN 29 4.075 -0.459 9.252 234 HD22 ASN 29 2HD2 ASN 29 3.800 0.110 10.873 235 HA PRO 30 HA PRO 30 1.843 -6.150 6.003 236 HB2 PRO 30 2HB PRO 30 2.384 -8.683 7.418 237 HB3 PRO 30 1HB PRO 30 3.021 -8.137 5.866 238 HG2 PRO 30 2HG PRO 30 4.581 -8.328 8.047 239 HG3 PRO 30 1HG PRO 30 4.817 -7.055 6.834 240 HD2 PRO 30 2HD PRO 30 3.418 -6.904 9.482 241 HD3 PRO 30 1HD PRO 30 4.570 -5.759 8.787 242 H GLU 31 H GLU 31 1.349 -6.540 9.327 243 HA GLU 31 HA GLU 31 -1.037 -8.017 9.471 244 HB2 GLU 31 2HB GLU 31 -0.069 -5.876 11.356 245 HB3 GLU 31 1HB GLU 31 -1.200 -7.168 11.721 246 HG2 GLU 31 2HG GLU 31 0.567 -8.821 11.415 247 HG3 GLU 31 1HG GLU 31 1.698 -7.528 11.008 248 H TRP 32 H TRP 32 -0.362 -4.480 9.216 249 HA TRP 32 HA TRP 32 -3.155 -3.887 9.345 250 HB2 TRP 32 2HB TRP 32 -1.589 -2.185 10.106 251 HB3 TRP 32 1HB TRP 32 -0.758 -2.211 8.553 252 HD1 TRP 32 HD1 TRP 32 -3.885 -0.818 10.227 253 HE1 TRP 32 HE1 TRP 32 -4.987 0.864 8.657 254 HE3 TRP 32 HE3 TRP 32 -0.993 -1.600 6.146 255 HZ2 TRP 32 HZ2 TRP 32 -4.630 1.801 5.946 256 HZ3 TRP 32 HZ3 TRP 32 -1.376 -0.381 4.148 257 HH2 TRP 32 HH2 TRP 32 -3.184 1.348 4.010 258 H LEU 33 H LEU 33 -0.722 -4.235 6.890 259 HA LEU 33 HA LEU 33 -2.099 -3.190 4.721 260 HB2 LEU 33 2HB LEU 33 0.374 -3.704 5.136 261 HB3 LEU 33 1HB LEU 33 0.004 -5.312 4.632 262 HG LEU 33 HG LEU 33 1.100 -3.861 2.911 263 HD11 LEU 33 1HD1 LEU 33 -1.575 -4.957 2.236 264 HD12 LEU 33 2HD1 LEU 33 -0.036 -5.847 2.176 265 HD13 LEU 33 3HD1 LEU 33 -0.354 -4.496 1.064 266 HD21 LEU 33 3HD2 LEU 33 -0.184 -2.255 1.730 267 HD22 LEU 33 1HD2 LEU 33 -0.138 -1.837 3.440 268 HD23 LEU 33 2HD2 LEU 33 -1.591 -2.568 2.747 269 H SER 34 H SER 34 -1.896 -6.502 5.920 270 HA SER 34 HA SER 34 -3.272 -7.872 3.942 271 HB2 SER 34 2HB SER 34 -3.994 -9.455 5.769 272 HB3 SER 34 1HB SER 34 -2.271 -9.101 5.792 273 HG SER 34 HG SER 34 -2.642 -8.649 7.753 274 H ALA 35 H ALA 35 -4.657 -6.439 6.802 275 HA ALA 35 HA ALA 35 -7.352 -6.803 6.467 276 HB1 ALA 35 3HB ALA 35 -6.340 -5.898 8.488 277 HB2 ALA 35 1HB ALA 35 -7.687 -4.903 7.939 278 HB3 ALA 35 2HB ALA 35 -6.030 -4.373 7.653 279 H LYS 36 H LYS 36 -5.473 -4.025 5.315 280 HA LYS 36 HA LYS 36 -7.744 -2.882 4.038 281 HB2 LYS 36 2HB LYS 36 -4.813 -2.229 3.828 282 HB3 LYS 36 1HB LYS 36 -6.056 -1.372 2.916 283 HG2 LYS 36 2HG LYS 36 -5.797 -1.632 5.862 284 HG3 LYS 36 1HG LYS 36 -5.593 -0.190 4.865 285 HD2 LYS 36 2HD LYS 36 -8.030 -0.456 4.180 286 HD3 LYS 36 1HD LYS 36 -8.152 -1.698 5.438 287 HE2 LYS 36 2HE LYS 36 -7.289 -0.060 7.066 288 HE3 LYS 36 1HE LYS 36 -7.261 1.007 5.657 289 HZ1 LYS 36 3HZ LYS 36 -9.186 1.181 7.287 290 HZ2 LYS 36 1HZ LYS 36 -9.828 -0.177 6.531 291 HZ3 LYS 36 2HZ LYS 36 -9.531 1.271 5.650 292 H LEU 37 H LEU 37 -5.252 -5.135 2.917 293 HA LEU 37 HA LEU 37 -6.147 -5.044 0.251 294 HB2 LEU 37 2HB LEU 37 -4.825 -7.344 1.686 295 HB3 LEU 37 1HB LEU 37 -5.124 -7.278 -0.034 296 HG LEU 37 HG LEU 37 -3.213 -5.658 1.588 297 HD11 LEU 37 1HD1 LEU 37 -2.870 -7.569 -0.712 298 HD12 LEU 37 2HD1 LEU 37 -2.323 -7.779 0.964 299 HD13 LEU 37 3HD1 LEU 37 -1.597 -6.550 -0.052 300 HD21 LEU 37 3HD2 LEU 37 -2.590 -4.478 -0.480 301 HD22 LEU 37 1HD2 LEU 37 -4.234 -4.117 0.042 302 HD23 LEU 37 2HD2 LEU 37 -3.955 -5.232 -1.302 303 H ARG 38 H ARG 38 -7.306 -6.707 3.064 304 HA ARG 38 HA ARG 38 -9.060 -8.536 1.811 305 HB2 ARG 38 2HB ARG 38 -9.604 -7.086 4.406 306 HB3 ARG 38 1HB ARG 38 -10.307 -8.606 3.885 307 HG2 ARG 38 2HG ARG 38 -7.876 -9.540 3.963 308 HG3 ARG 38 1HG ARG 38 -7.487 -8.053 4.713 309 HD2 ARG 38 2HD ARG 38 -9.595 -9.890 5.697 310 HD3 ARG 38 1HD ARG 38 -7.940 -9.860 6.326 311 HE ARG 38 HE ARG 38 -9.593 -7.421 6.437 312 HH11 ARG 38 1HH1 ARG 38 -8.019 -10.048 8.288 313 HH12 ARG 38 2HH1 ARG 38 -8.147 -9.222 9.766 314 HH21 ARG 38 1HH2 ARG 38 -9.800 -6.380 8.480 315 HH22 ARG 38 2HH2 ARG 38 -9.189 -7.097 9.904 316 H SER 39 H SER 39 -9.333 -5.081 2.522 317 HA SER 39 HA SER 39 -12.016 -4.770 1.984 318 HB2 SER 39 2HB SER 39 -9.597 -3.241 2.388 319 HB3 SER 39 1HB SER 39 -11.094 -2.382 2.225 320 HG SER 39 HG SER 39 -11.339 -4.432 3.965 321 H PHE 40 H PHE 40 -9.055 -4.602 0.114 322 HA PHE 40 HA PHE 40 -10.434 -3.323 -2.171 323 HB2 PHE 40 2HB PHE 40 -7.538 -3.610 -1.478 324 HB3 PHE 40 1HB PHE 40 -8.110 -2.962 -3.027 325 HD1 PHE 40 HD1 PHE 40 -10.109 -1.262 -2.638 326 HD2 PHE 40 HD2 PHE 40 -6.996 -1.994 0.103 327 HE1 PHE 40 HE1 PHE 40 -10.548 0.953 -1.576 328 HE2 PHE 40 HE2 PHE 40 -7.394 0.203 1.177 329 HZ PHE 40 HZ PHE 40 -9.169 1.673 0.333 330 H LEU 41 H LEU 41 -8.357 -6.114 -1.470 331 HA LEU 41 HA LEU 41 -8.717 -7.211 -4.091 332 HB2 LEU 41 2HB LEU 41 -7.176 -7.857 -1.644 333 HB3 LEU 41 1HB LEU 41 -7.325 -9.027 -2.934 334 HG LEU 41 HG LEU 41 -6.208 -7.451 -4.410 335 HD11 LEU 41 1HD1 LEU 41 -5.058 -5.521 -3.470 336 HD12 LEU 41 2HD1 LEU 41 -5.917 -5.849 -1.931 337 HD13 LEU 41 3HD1 LEU 41 -6.833 -5.464 -3.397 338 HD21 LEU 41 3HD2 LEU 41 -4.931 -9.174 -3.345 339 HD22 LEU 41 1HD2 LEU 41 -4.786 -8.208 -1.875 340 HD23 LEU 41 2HD2 LEU 41 -3.986 -7.683 -3.346 341 HA PRO 42 HA PRO 42 -11.628 -10.143 -2.288 342 HB2 PRO 42 2HB PRO 42 -12.404 -11.245 -4.614 343 HB3 PRO 42 1HB PRO 42 -12.968 -9.645 -4.123 344 HG2 PRO 42 2HG PRO 42 -10.901 -10.384 -6.136 345 HG3 PRO 42 1HG PRO 42 -12.038 -9.028 -6.141 346 HD2 PRO 42 2HD PRO 42 -9.319 -8.923 -5.377 347 HD3 PRO 42 1HD PRO 42 -10.530 -7.676 -5.069 348 H THR 43 H THR 43 -8.765 -10.537 -4.124 349 HA THR 43 HA THR 43 -8.639 -13.433 -3.748 350 HB THR 43 HB THR 43 -6.914 -13.164 -5.625 351 HG1 THR 43 HG1 THR 43 -7.610 -11.163 -6.874 352 HG21 THR 43 3HG2 THR 43 -8.740 -13.094 -7.283 353 HG22 THR 43 1HG2 THR 43 -9.766 -12.424 -5.997 354 HG23 THR 43 2HG2 THR 43 -9.148 -14.065 -5.840 355 H MET 44 H MET 44 -8.000 -11.422 -1.854 356 HA MET 44 HA MET 44 -5.162 -11.022 -1.696 357 HB2 MET 44 2HB MET 44 -5.465 -9.977 0.426 358 HB3 MET 44 1HB MET 44 -6.730 -9.418 -0.646 359 HG2 MET 44 2HG MET 44 -6.965 -11.525 1.390 360 HG3 MET 44 1HG MET 44 -7.483 -9.862 1.667 361 HE1 MET 44 3HE MET 44 -10.912 -11.783 1.451 362 HE2 MET 44 1HE MET 44 -9.897 -10.715 2.417 363 HE3 MET 44 2HE MET 44 -9.421 -12.398 2.158 364 H ASP 45 H ASP 45 -3.824 -12.400 -1.463 365 HA ASP 45 HA ASP 45 -3.840 -13.981 0.933 366 HB2 ASP 45 2HB ASP 45 -4.759 -15.598 -0.713 367 HB3 ASP 45 1HB ASP 45 -3.340 -15.351 -1.727 368 H LEU 46 H LEU 46 -2.480 -12.366 1.393 369 HA LEU 46 HA LEU 46 0.140 -12.253 0.081 370 HB2 LEU 46 2HB LEU 46 0.581 -10.352 1.522 371 HB3 LEU 46 1HB LEU 46 -0.946 -10.140 0.684 372 HG LEU 46 HG LEU 46 -1.045 -11.281 3.439 373 HD11 LEU 46 1HD1 LEU 46 -0.610 -8.355 2.869 374 HD12 LEU 46 2HD1 LEU 46 0.556 -9.475 3.594 375 HD13 LEU 46 3HD1 LEU 46 -0.942 -9.115 4.438 376 HD21 LEU 46 3HD2 LEU 46 -3.104 -10.083 3.563 377 HD22 LEU 46 1HD2 LEU 46 -3.102 -10.908 2.018 378 HD23 LEU 46 2HD2 LEU 46 -2.779 -9.176 2.106 379 H ASP 47 H ASP 47 -1.470 -13.758 2.532 380 HA ASP 47 HA ASP 47 0.522 -13.986 4.506 381 HB2 ASP 47 2HB ASP 47 -1.716 -14.186 5.098 382 HB3 ASP 47 1HB ASP 47 -2.023 -15.483 3.950 383 H CYS 48 H CYS 48 0.100 -15.437 1.611 384 HA CYS 48 HA CYS 48 1.718 -17.770 2.161 385 HB2 CYS 48 2HB CYS 48 0.048 -17.816 0.309 386 HB3 CYS 48 1HB CYS 48 0.964 -16.540 -0.495 387 HG CYS 48 HG CYS 48 1.757 -19.808 -0.113 388 H SER 49 H SER 49 3.586 -17.017 2.985 389 HA SER 49 HA SER 49 4.900 -14.887 1.585 390 HB2 SER 49 2HB SER 49 5.616 -16.178 4.218 391 HB3 SER 49 1HB SER 49 6.373 -14.734 3.532 392 HG SER 49 HG SER 49 3.791 -14.355 3.432 393 H TYR 50 H TYR 50 5.416 -15.967 -0.233 394 HA TYR 50 HA TYR 50 7.147 -18.148 -0.515 395 HB2 TYR 50 2HB TYR 50 7.808 -16.424 -2.630 396 HB3 TYR 50 1HB TYR 50 6.549 -17.657 -2.661 397 HD1 TYR 50 HD1 TYR 50 7.161 -14.041 -1.970 398 HD2 TYR 50 HD2 TYR 50 4.278 -17.051 -2.828 399 HE1 TYR 50 HE1 TYR 50 5.442 -12.307 -2.261 400 HE2 TYR 50 HE2 TYR 50 2.557 -15.325 -3.120 401 HH TYR 50 HH TYR 50 2.125 -13.055 -2.426 402 H GLU 51 H GLU 51 7.705 -14.900 -0.198 403 HA GLU 51 HA GLU 51 10.145 -15.348 1.208 404 HB2 GLU 51 2HB GLU 51 10.882 -13.072 0.064 405 HB3 GLU 51 1HB GLU 51 11.069 -14.658 -0.700 406 HG2 GLU 51 2HG GLU 51 9.263 -14.274 -2.115 407 HG3 GLU 51 1HG GLU 51 8.898 -12.741 -1.316 408 HA PRO 52 HA PRO 52 8.330 -12.775 4.262 409 HB2 PRO 52 2HB PRO 52 10.320 -11.127 5.128 410 HB3 PRO 52 1HB PRO 52 10.306 -12.863 5.442 411 HG2 PRO 52 2HG PRO 52 11.761 -11.348 3.313 412 HG3 PRO 52 1HG PRO 52 12.365 -12.620 4.394 413 HD2 PRO 52 2HD PRO 52 11.650 -13.126 1.871 414 HD3 PRO 52 1HD PRO 52 11.383 -14.303 3.163 415 H SER 53 H SER 53 8.918 -10.087 4.995 416 HA SER 53 HA SER 53 7.144 -8.712 3.248 417 HB2 SER 53 2HB SER 53 8.638 -7.783 5.703 418 HB3 SER 53 1HB SER 53 7.270 -6.961 4.950 419 HG SER 53 HG SER 53 6.099 -8.983 5.291 420 H ASN 54 H ASN 54 9.505 -9.357 1.899 421 HA ASN 54 HA ASN 54 11.465 -7.445 1.583 422 HB2 ASN 54 2HB ASN 54 10.137 -9.427 -0.171 423 HB3 ASN 54 1HB ASN 54 11.451 -8.471 -0.788 424 HD21 ASN 54 1HD2 ASN 54 11.402 -11.225 -0.691 425 HD22 ASN 54 2HD2 ASN 54 12.559 -11.804 0.452 426 HA PRO 55 HA PRO 55 9.551 -3.944 -0.435 427 HB2 PRO 55 2HB PRO 55 11.394 -3.598 -2.504 428 HB3 PRO 55 1HB PRO 55 11.555 -2.923 -0.884 429 HG2 PRO 55 2HG PRO 55 12.755 -5.408 -2.025 430 HG3 PRO 55 1HG PRO 55 13.474 -4.214 -0.929 431 HD2 PRO 55 2HD PRO 55 12.630 -6.550 -0.013 432 HD3 PRO 55 1HD PRO 55 12.347 -5.069 0.930 433 H GLU 56 H GLU 56 10.708 -6.512 -2.533 434 HA GLU 56 HA GLU 56 9.091 -5.870 -4.788 435 HB2 GLU 56 2HB GLU 56 10.531 -8.391 -4.001 436 HB3 GLU 56 1HB GLU 56 9.857 -8.060 -5.597 437 HG2 GLU 56 2HG GLU 56 11.412 -6.410 -6.040 438 HG3 GLU 56 1HG GLU 56 11.830 -6.228 -4.335 439 H VAL 57 H VAL 57 8.794 -7.881 -1.980 440 HA VAL 57 HA VAL 57 6.536 -9.343 -2.822 441 HB VAL 57 HB VAL 57 7.733 -8.833 -0.080 442 HG11 VAL 57 1HG1 VAL 57 5.474 -10.699 -0.799 443 HG12 VAL 57 2HG1 VAL 57 5.367 -9.248 0.220 444 HG13 VAL 57 3HG1 VAL 57 6.337 -10.630 0.742 445 HG21 VAL 57 3HG2 VAL 57 8.468 -11.135 -0.265 446 HG22 VAL 57 1HG2 VAL 57 9.019 -10.206 -1.646 447 HG23 VAL 57 2HG2 VAL 57 7.641 -11.280 -1.803 448 H ILE 58 H ILE 58 7.059 -6.559 -0.779 449 HA ILE 58 HA ILE 58 4.413 -5.882 -0.244 450 HB ILE 58 HB ILE 58 6.818 -4.070 -0.577 451 HG12 ILE 58 2HG1 ILE 58 7.145 -5.705 1.198 452 HG13 ILE 58 1HG1 ILE 58 6.898 -4.098 1.868 453 HG21 ILE 58 1HG2 ILE 58 4.794 -2.770 -0.803 454 HG22 ILE 58 2HG2 ILE 58 5.586 -2.399 0.734 455 HG23 ILE 58 3HG2 ILE 58 4.165 -3.448 0.696 456 HD11 ILE 58 3HD1 ILE 58 4.836 -6.293 1.771 457 HD12 ILE 58 1HD1 ILE 58 4.602 -4.675 2.444 458 HD13 ILE 58 2HD1 ILE 58 5.758 -5.780 3.185 459 H HIS 59 H HIS 59 6.552 -4.852 -2.890 460 HA HIS 59 HA HIS 59 4.789 -3.228 -4.294 461 HB2 HIS 59 2HB HIS 59 7.160 -3.297 -4.870 462 HB3 HIS 59 1HB HIS 59 7.047 -4.971 -5.353 463 HD1 HIS 59 HD1 HIS 59 7.230 -5.107 -7.810 464 HD2 HIS 59 HD2 HIS 59 5.039 -1.777 -6.654 465 HE1 HIS 59 HE1 HIS 59 6.464 -4.034 -9.929 466 HE2 HIS 59 HE2 HIS 59 5.227 -1.958 -9.213 467 H ARG 60 H ARG 60 5.124 -6.721 -4.432 468 HA ARG 60 HA ARG 60 3.407 -7.226 -6.592 469 HB2 ARG 60 2HB ARG 60 4.978 -8.830 -5.743 470 HB3 ARG 60 1HB ARG 60 4.165 -8.876 -4.196 471 HG2 ARG 60 2HG ARG 60 2.292 -9.905 -5.079 472 HG3 ARG 60 1HG ARG 60 2.853 -9.707 -6.759 473 HD2 ARG 60 2HD ARG 60 4.804 -11.152 -6.165 474 HD3 ARG 60 1HD ARG 60 4.071 -11.423 -4.586 475 HE ARG 60 HE ARG 60 2.142 -12.088 -6.388 476 HH11 ARG 60 1HH1 ARG 60 5.445 -13.225 -5.772 477 HH12 ARG 60 2HH1 ARG 60 5.140 -14.804 -6.306 478 HH21 ARG 60 1HH2 ARG 60 1.743 -14.292 -7.105 479 HH22 ARG 60 2HH2 ARG 60 3.021 -15.405 -7.077 480 H GLN 61 H GLN 61 2.877 -6.932 -3.183 481 HA GLN 61 HA GLN 61 0.120 -7.675 -3.130 482 HB2 GLN 61 2HB GLN 61 1.764 -6.029 -1.214 483 HB3 GLN 61 1HB GLN 61 0.175 -6.698 -0.869 484 HG2 GLN 61 2HG GLN 61 0.975 -8.861 -1.201 485 HG3 GLN 61 1HG GLN 61 2.587 -8.325 -1.595 486 HE21 GLN 61 1HE2 GLN 61 3.559 -9.368 0.138 487 HE22 GLN 61 2HE2 GLN 61 3.344 -8.894 1.796 488 H LEU 62 H LEU 62 1.836 -4.728 -3.132 489 HA LEU 62 HA LEU 62 -0.386 -2.948 -2.997 490 HB2 LEU 62 2HB LEU 62 2.517 -2.602 -3.604 491 HB3 LEU 62 1HB LEU 62 1.438 -1.295 -4.010 492 HG LEU 62 HG LEU 62 2.635 -1.042 -1.796 493 HD11 LEU 62 1HD1 LEU 62 0.735 -0.226 -0.575 494 HD12 LEU 62 2HD1 LEU 62 -0.350 -1.179 -1.573 495 HD13 LEU 62 3HD1 LEU 62 0.552 0.163 -2.288 496 HD21 LEU 62 3HD2 LEU 62 2.528 -3.377 -1.055 497 HD22 LEU 62 1HD2 LEU 62 0.776 -3.249 -0.911 498 HD23 LEU 62 2HD2 LEU 62 1.821 -2.286 0.135 499 H ASN 63 H ASN 63 1.279 -4.424 -5.662 500 HA ASN 63 HA ASN 63 0.519 -3.055 -7.895 501 HB2 ASN 63 2HB ASN 63 1.991 -5.068 -7.668 502 HB3 ASN 63 1HB ASN 63 0.526 -5.994 -7.418 503 HD21 ASN 63 1HD2 ASN 63 0.537 -3.415 -9.772 504 HD22 ASN 63 2HD2 ASN 63 0.399 -4.495 -11.087 505 H ARG 64 H ARG 64 -1.179 -5.477 -6.113 506 HA ARG 64 HA ARG 64 -3.438 -5.915 -7.628 507 HB2 ARG 64 2HB ARG 64 -3.006 -6.046 -4.675 508 HB3 ARG 64 1HB ARG 64 -4.508 -6.544 -5.435 509 HG2 ARG 64 2HG ARG 64 -1.854 -7.689 -6.192 510 HG3 ARG 64 1HG ARG 64 -2.842 -8.374 -4.904 511 HD2 ARG 64 2HD ARG 64 -4.664 -8.617 -6.473 512 HD3 ARG 64 1HD ARG 64 -3.645 -8.019 -7.787 513 HE ARG 64 HE ARG 64 -2.227 -10.048 -6.683 514 HH11 ARG 64 1HH1 ARG 64 -5.445 -9.815 -8.100 515 HH12 ARG 64 2HH1 ARG 64 -5.495 -11.414 -8.688 516 HH21 ARG 64 1HH2 ARG 64 -2.280 -12.285 -7.455 517 HH22 ARG 64 2HH2 ARG 64 -3.639 -12.859 -8.293 518 H LEU 65 H LEU 65 -2.753 -3.254 -5.454 519 HA LEU 65 HA LEU 65 -5.466 -2.414 -5.094 520 HB2 LEU 65 2HB LEU 65 -2.907 -0.925 -4.731 521 HB3 LEU 65 1HB LEU 65 -4.486 -0.379 -4.193 522 HG LEU 65 HG LEU 65 -3.068 -2.842 -3.203 523 HD11 LEU 65 1HD1 LEU 65 -3.579 -0.180 -1.977 524 HD12 LEU 65 2HD1 LEU 65 -2.023 -0.716 -2.606 525 HD13 LEU 65 3HD1 LEU 65 -2.746 -1.529 -1.200 526 HD21 LEU 65 3HD2 LEU 65 -4.816 -2.806 -1.492 527 HD22 LEU 65 1HD2 LEU 65 -5.484 -3.049 -3.104 528 HD23 LEU 65 2HD2 LEU 65 -5.597 -1.470 -2.333 529 H PHE 66 H PHE 66 -2.822 -1.433 -7.182 530 HA PHE 66 HA PHE 66 -4.289 0.688 -8.384 531 HB2 PHE 66 2HB PHE 66 -1.778 0.538 -8.365 532 HB3 PHE 66 1HB PHE 66 -1.896 -0.806 -9.493 533 HD1 PHE 66 HD2 PHE 66 -2.597 2.802 -9.073 534 HD2 PHE 66 HD1 PHE 66 -2.126 -0.421 -11.815 535 HE1 PHE 66 HE2 PHE 66 -2.596 4.395 -10.942 536 HE2 PHE 66 HE1 PHE 66 -2.123 1.168 -13.687 537 HZ PHE 66 HZ PHE 66 -2.359 3.577 -13.255 538 H ALA 67 H ALA 67 -3.910 -2.697 -8.889 539 HA ALA 67 HA ALA 67 -5.147 -2.948 -11.390 540 HB1 ALA 67 3HB ALA 67 -3.884 -4.774 -10.341 541 HB2 ALA 67 1HB ALA 67 -5.522 -5.281 -10.760 542 HB3 ALA 67 2HB ALA 67 -5.117 -4.896 -9.086 543 H GLN 68 H GLN 68 -6.506 -2.877 -8.022 544 HA GLN 68 HA GLN 68 -9.143 -3.310 -8.725 545 HB2 GLN 68 2HB GLN 68 -7.888 -1.733 -6.517 546 HB3 GLN 68 1HB GLN 68 -9.599 -2.046 -6.630 547 HG2 GLN 68 2HG GLN 68 -7.400 -3.806 -5.624 548 HG3 GLN 68 1HG GLN 68 -8.992 -3.534 -5.136 549 HE21 GLN 68 1HE2 GLN 68 -7.493 -6.041 -5.964 550 HE22 GLN 68 2HE2 GLN 68 -8.680 -6.881 -6.900 551 H GLY 69 H GLY 69 -7.174 -0.398 -8.331 552 HA2 GLY 69 2HA GLY 69 -8.785 1.188 -10.137 553 HA3 GLY 69 1HA GLY 69 -9.141 1.395 -8.469 554 H MET 70 H MET 70 -7.681 2.872 -10.721 555 HA MET 70 HA MET 70 -5.325 3.735 -9.365 556 HB2 MET 70 2HB MET 70 -5.451 5.737 -10.848 557 HB3 MET 70 1HB MET 70 -5.620 4.246 -11.758 558 HG2 MET 70 2HG MET 70 -8.045 4.582 -11.842 559 HG3 MET 70 1HG MET 70 -7.863 6.081 -10.937 560 HE1 MET 70 3HE MET 70 -9.351 5.721 -13.767 561 HE2 MET 70 1HE MET 70 -8.831 7.188 -14.598 562 HE3 MET 70 2HE MET 70 -9.290 7.254 -12.895 563 H ALA 71 H ALA 71 -8.691 4.299 -9.186 564 HA ALA 71 HA ALA 71 -8.664 6.572 -7.423 565 HB1 ALA 71 3HB ALA 71 -10.583 6.108 -8.825 566 HB2 ALA 71 1HB ALA 71 -11.066 5.960 -7.130 567 HB3 ALA 71 2HB ALA 71 -10.747 4.511 -8.109 568 H THR 72 H THR 72 -8.863 3.068 -7.180 569 HA THR 72 HA THR 72 -9.342 2.776 -4.478 570 HB THR 72 HB THR 72 -7.859 1.015 -6.455 571 HG1 THR 72 HG1 THR 72 -10.489 0.704 -5.524 572 HG21 THR 72 3HG2 THR 72 -8.986 0.325 -3.702 573 HG22 THR 72 1HG2 THR 72 -7.295 0.267 -4.146 574 HG23 THR 72 2HG2 THR 72 -8.467 -0.873 -4.823 575 H TRP 73 H TRP 73 -6.350 3.321 -6.245 576 HA TRP 73 HA TRP 73 -4.549 2.865 -4.137 577 HB2 TRP 73 2HB TRP 73 -4.034 3.065 -6.625 578 HB3 TRP 73 1HB TRP 73 -4.185 4.804 -6.442 579 HD1 TRP 73 HD1 TRP 73 -2.020 6.085 -5.631 580 HE1 TRP 73 HE1 TRP 73 0.300 5.399 -4.980 581 HE3 TRP 73 HE3 TRP 73 -2.709 1.039 -5.412 582 HZ2 TRP 73 HZ2 TRP 73 1.735 3.062 -4.450 583 HZ3 TRP 73 HZ3 TRP 73 -0.762 -0.356 -4.831 584 HH2 TRP 73 HH2 TRP 73 1.415 0.651 -4.362 585 H LYS 74 H LYS 74 -6.192 5.866 -5.228 586 HA LYS 74 HA LYS 74 -5.155 7.635 -3.302 587 HB2 LYS 74 2HB LYS 74 -7.920 7.822 -4.518 588 HB3 LYS 74 1HB LYS 74 -6.862 9.142 -4.020 589 HG2 LYS 74 2HG LYS 74 -5.328 8.389 -5.890 590 HG3 LYS 74 1HG LYS 74 -6.635 7.344 -6.390 591 HD2 LYS 74 2HD LYS 74 -8.078 9.406 -6.498 592 HD3 LYS 74 1HD LYS 74 -6.591 10.344 -6.282 593 HE2 LYS 74 2HE LYS 74 -5.667 8.881 -8.126 594 HE3 LYS 74 1HE LYS 74 -7.347 8.492 -8.478 595 HZ1 LYS 74 3HZ LYS 74 -6.735 10.262 -9.892 596 HZ2 LYS 74 1HZ LYS 74 -5.943 11.067 -8.670 597 HZ3 LYS 74 2HZ LYS 74 -7.633 11.070 -8.696 598 H SER 75 H SER 75 -8.157 5.678 -3.222 599 HA SER 75 HA SER 75 -9.029 6.506 -0.791 600 HB2 SER 75 2HB SER 75 -9.238 3.910 -2.268 601 HB3 SER 75 1HB SER 75 -10.282 4.452 -0.962 602 HG SER 75 HG SER 75 -10.401 6.422 -2.515 603 H PHE 76 H PHE 76 -6.839 3.926 -1.758 604 HA PHE 76 HA PHE 76 -6.470 2.672 0.692 605 HB2 PHE 76 2HB PHE 76 -5.720 1.691 -1.409 606 HB3 PHE 76 1HB PHE 76 -4.532 2.964 -1.591 607 HD1 PHE 76 HD2 PHE 76 -5.489 0.192 0.688 608 HD2 PHE 76 HD1 PHE 76 -2.384 2.723 -0.738 609 HE1 PHE 76 HE2 PHE 76 -3.848 -1.131 1.944 610 HE2 PHE 76 HE1 PHE 76 -0.729 1.404 0.527 611 HZ PHE 76 HZ PHE 76 -1.473 -0.543 1.862 612 H ILE 77 H ILE 77 -4.538 5.326 -0.845 613 HA ILE 77 HA ILE 77 -2.737 5.333 1.282 614 HB ILE 77 HB ILE 77 -3.330 7.383 -0.842 615 HG12 ILE 77 2HG1 ILE 77 -2.484 5.163 -1.609 616 HG13 ILE 77 1HG1 ILE 77 -1.406 6.501 -1.976 617 HG21 ILE 77 1HG2 ILE 77 -0.992 7.184 1.043 618 HG22 ILE 77 2HG2 ILE 77 -2.266 8.408 1.101 619 HG23 ILE 77 3HG2 ILE 77 -1.172 8.325 -0.289 620 HD11 ILE 77 3HD1 ILE 77 -1.077 4.475 0.226 621 HD12 ILE 77 1HD1 ILE 77 -0.029 5.879 -0.033 622 HD13 ILE 77 2HD1 ILE 77 -0.129 4.614 -1.263 623 H ASN 78 H ASN 78 -5.728 7.050 0.695 624 HA ASN 78 HA ASN 78 -5.518 8.953 2.750 625 HB2 ASN 78 2HB ASN 78 -7.283 9.105 1.045 626 HB3 ASN 78 1HB ASN 78 -8.004 7.613 1.630 627 HD21 ASN 78 1HD2 ASN 78 -9.351 7.685 3.389 628 HD22 ASN 78 2HD2 ASN 78 -9.826 9.134 4.177 629 H ASP 79 H ASP 79 -6.745 5.647 2.773 630 HA ASP 79 HA ASP 79 -7.336 5.578 5.575 631 HB2 ASP 79 2HB ASP 79 -7.140 3.484 3.440 632 HB3 ASP 79 1HB ASP 79 -7.117 2.987 5.125 633 H LEU 80 H LEU 80 -4.630 4.541 3.647 634 HA LEU 80 HA LEU 80 -2.931 3.241 5.390 635 HB2 LEU 80 2HB LEU 80 -2.662 3.602 2.954 636 HB3 LEU 80 1HB LEU 80 -2.411 5.269 3.272 637 HG LEU 80 HG LEU 80 -0.397 4.099 2.517 638 HD11 LEU 80 1HD1 LEU 80 -0.031 6.101 3.779 639 HD12 LEU 80 2HD1 LEU 80 1.215 4.908 4.152 640 HD13 LEU 80 3HD1 LEU 80 -0.102 5.198 5.291 641 HD21 LEU 80 3HD2 LEU 80 0.737 2.582 3.962 642 HD22 LEU 80 1HD2 LEU 80 -0.869 2.016 3.464 643 HD23 LEU 80 2HD2 LEU 80 -0.647 2.680 5.090 644 H CYS 81 H CYS 81 -3.034 6.667 4.691 645 HA CYS 81 HA CYS 81 -1.149 7.445 6.637 646 HB2 CYS 81 2HB CYS 81 -1.550 8.728 4.636 647 HB3 CYS 81 1HB CYS 81 -3.212 9.014 5.084 648 HG CYS 81 HG CYS 81 -2.853 11.044 6.564 649 H PHE 82 H PHE 82 -4.564 7.044 6.684 650 HA PHE 82 HA PHE 82 -5.137 8.609 8.986 651 HB2 PHE 82 2HB PHE 82 -6.727 7.982 7.123 652 HB3 PHE 82 1HB PHE 82 -6.787 6.383 7.827 653 HD1 PHE 82 HD2 PHE 82 -7.537 9.934 8.501 654 HD2 PHE 82 HD1 PHE 82 -8.211 5.891 9.635 655 HE1 PHE 82 HE2 PHE 82 -9.358 10.659 9.983 656 HE2 PHE 82 HE1 PHE 82 -10.036 6.607 11.114 657 HZ PHE 82 HZ PHE 82 -10.611 8.995 11.294 658 H GLU 83 H GLU 83 -4.650 5.169 8.417 659 HA GLU 83 HA GLU 83 -5.364 4.639 11.158 660 HB2 GLU 83 2HB GLU 83 -4.436 2.554 9.250 661 HB3 GLU 83 1HB GLU 83 -5.450 2.372 10.673 662 HG2 GLU 83 2HG GLU 83 -7.004 4.037 9.266 663 HG3 GLU 83 1HG GLU 83 -6.071 3.345 7.992 664 H LEU 84 H LEU 84 -2.435 5.062 9.449 665 HA LEU 84 HA LEU 84 -0.994 3.332 11.210 666 HB2 LEU 84 2HB LEU 84 0.008 4.955 8.900 667 HB3 LEU 84 1HB LEU 84 1.049 3.971 9.912 668 HG LEU 84 HG LEU 84 -1.230 2.952 8.204 669 HD11 LEU 84 1HD1 LEU 84 0.507 1.886 6.890 670 HD12 LEU 84 2HD1 LEU 84 1.724 2.548 7.958 671 HD13 LEU 84 3HD1 LEU 84 0.767 3.632 6.938 672 HD21 LEU 84 3HD2 LEU 84 -1.044 1.585 10.206 673 HD22 LEU 84 1HD2 LEU 84 0.704 1.457 9.977 674 HD23 LEU 84 2HD2 LEU 84 -0.396 0.718 8.820 675 H ASP 85 H ASP 85 -2.036 4.993 12.793 676 HA ASP 85 HA ASP 85 -1.577 5.976 14.757 677 HB2 ASP 85 2HB ASP 85 0.317 4.529 15.016 678 HB3 ASP 85 1HB ASP 85 1.304 5.542 13.978 679 H VAL 86 H VAL 86 0.960 7.474 12.797 680 HA VAL 86 HA VAL 86 0.000 10.016 13.859 681 HB VAL 86 HB VAL 86 2.704 9.275 12.695 682 HG11 VAL 86 1HG1 VAL 86 1.755 11.994 13.599 683 HG12 VAL 86 2HG1 VAL 86 2.106 11.537 11.935 684 HG13 VAL 86 3HG1 VAL 86 3.405 11.588 13.128 685 HG21 VAL 86 3HG2 VAL 86 1.859 10.283 15.398 686 HG22 VAL 86 1HG2 VAL 86 3.511 9.914 14.912 687 HG23 VAL 86 2HG2 VAL 86 2.308 8.624 15.009 688 HA PRO 87 HA PRO 87 -1.733 10.898 9.845 689 HB2 PRO 87 2HB PRO 87 -2.236 13.557 10.359 690 HB3 PRO 87 1HB PRO 87 -3.314 12.249 10.840 691 HG2 PRO 87 2HG PRO 87 -1.301 13.736 12.460 692 HG3 PRO 87 1HG PRO 87 -2.907 13.154 12.924 693 HD2 PRO 87 2HD PRO 87 -0.641 11.906 13.648 694 HD3 PRO 87 1HD PRO 87 -2.148 11.022 13.338 695 H LEU 88 H LEU 88 -0.170 10.836 8.393 696 HA LEU 88 HA LEU 88 2.167 12.374 8.353 697 HB2 LEU 88 2HB LEU 88 0.723 11.055 6.045 698 HB3 LEU 88 1HB LEU 88 2.343 11.694 5.978 699 HG LEU 88 HG LEU 88 2.982 9.943 7.696 700 HD11 LEU 88 1HD1 LEU 88 0.298 8.811 6.975 701 HD12 LEU 88 2HD1 LEU 88 0.829 9.333 8.578 702 HD13 LEU 88 3HD1 LEU 88 1.578 7.934 7.809 703 HD21 LEU 88 3HD2 LEU 88 3.117 8.166 6.027 704 HD22 LEU 88 1HD2 LEU 88 3.557 9.741 5.354 705 HD23 LEU 88 2HD2 LEU 88 1.966 9.045 5.024 706 H ASP 89 H ASP 89 -1.031 12.776 6.951 707 HA ASP 89 HA ASP 89 -2.158 14.439 5.985 708 HB2 ASP 89 2HB ASP 89 -1.527 15.689 8.026 709 HB3 ASP 89 1HB ASP 89 -0.063 16.245 7.231 710 H MET 90 H MET 90 0.411 13.338 4.879 711 HA MET 90 HA MET 90 0.400 14.986 2.462 712 HB2 MET 90 2HB MET 90 2.779 14.375 2.069 713 HB3 MET 90 1HB MET 90 2.580 15.304 3.542 714 HG2 MET 90 2HG MET 90 2.813 13.290 4.851 715 HG3 MET 90 1HG MET 90 2.940 12.316 3.385 716 HE1 MET 90 3HE MET 90 6.384 13.575 1.921 717 HE2 MET 90 1HE MET 90 4.795 14.233 1.528 718 HE3 MET 90 2HE MET 90 5.016 12.490 1.682 719 H GLU 91 H GLU 91 -1.346 13.055 3.011 720 HA GLU 91 HA GLU 91 -0.657 10.490 2.096 721 HB2 GLU 91 2HB GLU 91 -3.041 10.009 2.082 722 HB3 GLU 91 1HB GLU 91 -2.626 10.917 3.527 723 HG2 GLU 91 2HG GLU 91 -4.042 11.919 1.069 724 HG3 GLU 91 1HG GLU 91 -4.768 11.622 2.648 725 H ILE 92 H ILE 92 -1.963 13.299 0.449 726 HA ILE 92 HA ILE 92 -2.382 11.963 -1.978 727 HB ILE 92 HB ILE 92 -2.003 14.887 -1.303 728 HG12 ILE 92 2HG1 ILE 92 -4.055 13.962 -0.446 729 HG13 ILE 92 1HG1 ILE 92 -4.414 15.060 -1.770 730 HG21 ILE 92 1HG2 ILE 92 -2.746 15.495 -3.493 731 HG22 ILE 92 2HG2 ILE 92 -2.770 13.792 -3.966 732 HG23 ILE 92 3HG2 ILE 92 -1.242 14.575 -3.536 733 HD11 ILE 92 3HD1 ILE 92 -5.811 13.095 -1.865 734 HD12 ILE 92 1HD1 ILE 92 -4.392 12.052 -1.918 735 HD13 ILE 92 2HD1 ILE 92 -4.728 13.147 -3.259 736 HA PRO 93 HA PRO 93 2.210 13.437 -3.175 737 HB2 PRO 93 2HB PRO 93 3.263 13.087 -0.399 738 HB3 PRO 93 1HB PRO 93 3.809 14.145 -1.679 739 HG2 PRO 93 2HG PRO 93 2.343 15.198 0.312 740 HG3 PRO 93 1HG PRO 93 2.152 15.742 -1.354 741 HD2 PRO 93 2HD PRO 93 0.360 14.034 0.249 742 HD3 PRO 93 1HD PRO 93 -0.007 15.193 -1.045 743 H LEU 94 H LEU 94 1.393 11.319 -0.433 744 HA LEU 94 HA LEU 94 3.019 9.137 -1.187 745 HB2 LEU 94 2HB LEU 94 0.782 9.486 0.687 746 HB3 LEU 94 1HB LEU 94 0.983 7.877 0.048 747 HG LEU 94 HG LEU 94 2.014 8.008 2.153 748 HD11 LEU 94 1HD1 LEU 94 4.145 7.962 0.038 749 HD12 LEU 94 2HD1 LEU 94 3.103 6.624 0.519 750 HD13 LEU 94 3HD1 LEU 94 4.275 7.284 1.663 751 HD21 LEU 94 3HD2 LEU 94 3.898 9.511 2.661 752 HD22 LEU 94 1HD2 LEU 94 2.414 10.401 2.323 753 HD23 LEU 94 2HD2 LEU 94 3.679 10.297 1.097 754 H VAL 95 H VAL 95 -0.395 9.794 -1.959 755 HA VAL 95 HA VAL 95 -0.548 7.359 -3.416 756 HB VAL 95 HB VAL 95 -2.614 8.356 -2.516 757 HG11 VAL 95 1HG1 VAL 95 -3.797 9.881 -3.672 758 HG12 VAL 95 2HG1 VAL 95 -2.206 10.662 -4.112 759 HG13 VAL 95 3HG1 VAL 95 -2.681 10.260 -2.395 760 HG21 VAL 95 3HG2 VAL 95 -3.994 8.265 -4.587 761 HG22 VAL 95 1HG2 VAL 95 -3.030 6.817 -4.197 762 HG23 VAL 95 2HG2 VAL 95 -2.470 7.997 -5.408 763 H SER 96 H SER 96 0.232 10.386 -4.207 764 HA SER 96 HA SER 96 0.260 10.298 -6.994 765 HB2 SER 96 2HB SER 96 0.568 12.314 -5.555 766 HB3 SER 96 1HB SER 96 2.209 11.791 -5.234 767 HG SER 96 HG SER 96 1.117 12.527 -7.747 768 H ILE 97 H ILE 97 2.093 8.444 -4.884 769 HA ILE 97 HA ILE 97 4.634 8.176 -6.015 770 HB ILE 97 HB ILE 97 3.912 7.303 -3.752 771 HG12 ILE 97 2HG1 ILE 97 5.067 5.021 -5.285 772 HG13 ILE 97 1HG1 ILE 97 6.010 6.486 -5.099 773 HG21 ILE 97 1HG2 ILE 97 2.747 5.027 -5.375 774 HG22 ILE 97 2HG2 ILE 97 1.830 6.194 -4.430 775 HG23 ILE 97 3HG2 ILE 97 2.907 5.057 -3.618 776 HD11 ILE 97 3HD1 ILE 97 5.808 6.264 -2.664 777 HD12 ILE 97 1HD1 ILE 97 6.595 4.879 -3.413 778 HD13 ILE 97 2HD1 ILE 97 4.907 4.760 -2.887 779 H TRP 98 H TRP 98 1.597 6.891 -7.040 780 HA TRP 98 HA TRP 98 2.868 5.634 -9.308 781 HB2 TRP 98 2HB TRP 98 3.051 3.900 -7.585 782 HB3 TRP 98 1HB TRP 98 1.320 3.971 -7.307 783 HD1 TRP 98 HD1 TRP 98 0.299 1.837 -8.210 784 HE1 TRP 98 HE1 TRP 98 0.573 0.386 -10.318 785 HE3 TRP 98 HE3 TRP 98 4.098 4.388 -10.504 786 HZ2 TRP 98 HZ2 TRP 98 2.143 0.327 -12.628 787 HZ3 TRP 98 HZ3 TRP 98 4.916 3.562 -12.670 788 HH2 TRP 98 HH2 TRP 98 3.960 1.574 -13.708 789 H GLY 99 H GLY 99 0.038 6.904 -7.721 790 HA2 GLY 99 2HA GLY 99 -1.454 6.440 -10.195 791 HA3 GLY 99 1HA GLY 99 -2.179 6.630 -8.605 792 HA PRO 100 HA PRO 100 -1.250 10.987 -10.089 793 HB2 PRO 100 2HB PRO 100 0.002 11.275 -12.540 794 HB3 PRO 100 1HB PRO 100 0.842 11.199 -10.991 795 HG2 PRO 100 2HG PRO 100 0.949 9.278 -13.108 796 HG3 PRO 100 1HG PRO 100 1.695 9.157 -11.509 797 HD2 PRO 100 2HD PRO 100 -0.883 8.031 -12.490 798 HD3 PRO 100 1HD PRO 100 0.233 7.393 -11.257 799 H ARG 101 H ARG 101 -3.436 11.340 -10.417 800 HA ARG 101 HA ARG 101 -5.158 12.088 -11.304 801 HB2 ARG 101 2HB ARG 101 -3.667 13.131 -13.005 802 HB3 ARG 101 1HB ARG 101 -4.004 11.732 -14.026 803 HG2 ARG 101 2HG ARG 101 -6.347 12.242 -13.995 804 HG3 ARG 101 1HG ARG 101 -6.044 13.537 -12.835 805 HD2 ARG 101 2HD ARG 101 -4.657 14.666 -14.546 806 HD3 ARG 101 1HD ARG 101 -5.163 13.439 -15.717 807 HE ARG 101 HE ARG 101 -7.298 14.768 -14.318 808 HH11 ARG 101 1HH1 ARG 101 -5.369 14.807 -17.293 809 HH12 ARG 101 2HH1 ARG 101 -6.492 15.745 -18.154 810 HH21 ARG 101 1HH2 ARG 101 -8.823 16.034 -15.490 811 HH22 ARG 101 2HH2 ARG 101 -8.512 16.447 -17.108 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 -12.342 18.059 1.554 2 H2 GLY 1 2H GLY 1 -10.839 18.704 1.898 3 H3 GLY 1 3H GLY 1 -12.187 19.148 2.838 4 HA2 GLY 1 1HA GLY 1 -10.794 17.544 3.993 5 HA3 GLY 1 2HA GLY 1 -12.366 16.852 3.590 6 HA PRO 2 HA PRO 2 -8.834 14.285 1.851 7 HB2 PRO 2 2HB PRO 2 -9.881 12.074 3.456 8 HB3 PRO 2 1HB PRO 2 -8.253 12.753 3.417 9 HG2 PRO 2 2HG PRO 2 -9.900 13.071 5.543 10 HG3 PRO 2 1HG PRO 2 -8.703 14.287 5.070 11 HD2 PRO 2 2HD PRO 2 -11.651 14.232 4.555 12 HD3 PRO 2 1HD PRO 2 -10.616 15.590 5.042 13 H LEU 3 H LEU 3 -12.244 13.559 2.426 14 HA LEU 3 HA LEU 3 -12.226 11.660 0.224 15 HB2 LEU 3 2HB LEU 3 -14.449 12.364 2.149 16 HB3 LEU 3 1HB LEU 3 -14.594 11.224 0.837 17 HG LEU 3 HG LEU 3 -12.738 9.895 1.993 18 HD11 LEU 3 1HD1 LEU 3 -13.498 11.652 4.310 19 HD12 LEU 3 2HD1 LEU 3 -11.932 11.604 3.503 20 HD13 LEU 3 3HD1 LEU 3 -12.506 10.194 4.396 21 HD21 LEU 3 3HD2 LEU 3 -14.334 8.831 3.514 22 HD22 LEU 3 1HD2 LEU 3 -15.028 9.192 1.930 23 HD23 LEU 3 2HD2 LEU 3 -15.416 10.218 3.314 24 H GLY 4 H GLY 4 -12.631 12.358 -1.757 25 HA2 GLY 4 2HA GLY 4 -14.533 13.315 -3.046 26 HA3 GLY 4 1HA GLY 4 -14.332 14.728 -2.013 27 H SER 5 H SER 5 -13.515 13.291 -4.864 28 HA SER 5 HA SER 5 -12.418 13.999 -6.660 29 HB2 SER 5 2HB SER 5 -12.995 16.318 -6.007 30 HB3 SER 5 1HB SER 5 -11.567 16.393 -4.986 31 HG SER 5 HG SER 5 -10.871 15.684 -7.522 32 H MET 6 H MET 6 -10.313 14.757 -3.877 33 HA MET 6 HA MET 6 -8.184 14.255 -3.362 34 HB2 MET 6 2HB MET 6 -8.753 11.824 -5.033 35 HB3 MET 6 1HB MET 6 -7.268 12.062 -4.124 36 HG2 MET 6 2HG MET 6 -8.604 10.555 -2.882 37 HG3 MET 6 1HG MET 6 -8.717 12.091 -2.048 38 HE1 MET 6 3HE MET 6 -10.672 10.690 -0.784 39 HE2 MET 6 1HE MET 6 -10.616 9.355 -1.930 40 HE3 MET 6 2HE MET 6 -12.154 10.149 -1.576 41 H ASP 7 H ASP 7 -8.809 15.703 -5.945 42 HA ASP 7 HA ASP 7 -6.734 14.881 -7.852 43 HB2 ASP 7 2HB ASP 7 -8.844 17.006 -7.856 44 HB3 ASP 7 1HB ASP 7 -7.558 16.999 -9.054 45 H ALA 8 H ALA 8 -6.053 15.966 -5.177 46 HA ALA 8 HA ALA 8 -4.526 18.318 -5.795 47 HB1 ALA 8 3HB ALA 8 -5.295 17.973 -3.521 48 HB2 ALA 8 1HB ALA 8 -3.534 17.961 -3.555 49 HB3 ALA 8 2HB ALA 8 -4.429 16.441 -3.428 50 H GLU 9 H GLU 9 -4.194 14.958 -6.211 51 HA GLU 9 HA GLU 9 -1.483 14.455 -6.081 52 HB2 GLU 9 2HB GLU 9 -2.292 12.900 -8.203 53 HB3 GLU 9 1HB GLU 9 -2.446 12.485 -6.497 54 HG2 GLU 9 2HG GLU 9 -4.616 13.118 -6.387 55 HG3 GLU 9 1HG GLU 9 -4.587 14.008 -7.918 56 H SER 10 H SER 10 -3.355 15.726 -8.757 57 HA SER 10 HA SER 10 -1.533 15.923 -10.788 58 HB2 SER 10 2HB SER 10 -3.675 17.819 -9.906 59 HB3 SER 10 1HB SER 10 -3.103 17.623 -11.581 60 HG SER 10 HG SER 10 -4.226 15.820 -11.728 61 H ILE 11 H ILE 11 -1.974 17.874 -7.948 62 HA ILE 11 HA ILE 11 -0.328 20.057 -8.774 63 HB ILE 11 HB ILE 11 -1.950 19.376 -6.329 64 HG12 ILE 11 2HG1 ILE 11 -3.466 20.919 -6.925 65 HG13 ILE 11 1HG1 ILE 11 -2.470 21.809 -8.119 66 HG21 ILE 11 1HG2 ILE 11 -0.319 21.871 -6.713 67 HG22 ILE 11 2HG2 ILE 11 -0.061 20.612 -5.507 68 HG23 ILE 11 3HG2 ILE 11 -1.509 21.617 -5.438 69 HD11 ILE 11 3HD1 ILE 11 -4.364 20.702 -9.076 70 HD12 ILE 11 1HD1 ILE 11 -4.011 19.210 -8.203 71 HD13 ILE 11 2HD1 ILE 11 -2.951 19.738 -9.509 72 H ARG 12 H ARG 12 -0.104 17.208 -6.699 73 HA ARG 12 HA ARG 12 2.224 18.231 -5.320 74 HB2 ARG 12 2HB ARG 12 0.492 15.850 -4.889 75 HB3 ARG 12 1HB ARG 12 1.966 16.136 -3.984 76 HG2 ARG 12 2HG ARG 12 -0.397 18.009 -4.093 77 HG3 ARG 12 1HG ARG 12 -0.062 16.875 -2.783 78 HD2 ARG 12 2HD ARG 12 2.073 18.004 -2.359 79 HD3 ARG 12 1HD ARG 12 1.732 19.145 -3.654 80 HE ARG 12 HE ARG 12 -0.407 19.407 -2.087 81 HH11 ARG 12 1HH1 ARG 12 3.063 19.394 -1.292 82 HH12 ARG 12 2HH1 ARG 12 2.913 20.551 -0.055 83 HH21 ARG 12 1HH2 ARG 12 -0.578 20.972 -0.314 84 HH22 ARG 12 2HH2 ARG 12 0.844 21.440 0.503 85 H LEU 13 H LEU 13 1.475 15.469 -7.453 86 HA LEU 13 HA LEU 13 2.668 13.918 -8.403 87 HB2 LEU 13 2HB LEU 13 4.539 16.127 -8.210 88 HB3 LEU 13 1HB LEU 13 5.207 14.603 -8.831 89 HG LEU 13 HG LEU 13 4.717 15.964 -10.711 90 HD11 LEU 13 1HD1 LEU 13 3.948 13.706 -11.013 91 HD12 LEU 13 2HD1 LEU 13 2.952 14.843 -11.914 92 HD13 LEU 13 3HD1 LEU 13 2.343 14.141 -10.419 93 HD21 LEU 13 3HD2 LEU 13 2.570 17.112 -11.084 94 HD22 LEU 13 1HD2 LEU 13 3.387 17.692 -9.632 95 HD23 LEU 13 2HD2 LEU 13 2.022 16.582 -9.495 96 H ASN 14 H ASN 14 4.759 12.537 -8.254 97 HA ASN 14 HA ASN 14 4.911 11.734 -5.435 98 HB2 ASN 14 2HB ASN 14 5.309 9.448 -6.285 99 HB3 ASN 14 1HB ASN 14 3.759 10.133 -6.762 100 HD21 ASN 14 1HD2 ASN 14 6.836 8.930 -7.881 101 HD22 ASN 14 2HD2 ASN 14 6.443 9.003 -9.547 102 H ASN 15 H ASN 15 6.923 9.998 -5.297 103 HA ASN 15 HA ASN 15 9.359 11.094 -6.404 104 HB2 ASN 15 2HB ASN 15 8.789 12.607 -4.502 105 HB3 ASN 15 1HB ASN 15 8.722 11.224 -3.433 106 HD21 ASN 15 1HD2 ASN 15 10.312 13.632 -3.300 107 HD22 ASN 15 2HD2 ASN 15 11.963 13.115 -3.262 108 H GLU 16 H GLU 16 11.006 9.522 -6.272 109 HA GLU 16 HA GLU 16 10.196 6.827 -5.828 110 HB2 GLU 16 2HB GLU 16 12.898 8.004 -6.407 111 HB3 GLU 16 1HB GLU 16 12.597 6.279 -6.281 112 HG2 GLU 16 2HG GLU 16 10.982 6.468 -8.133 113 HG3 GLU 16 1HG GLU 16 11.402 8.174 -8.283 114 H ASN 17 H ASN 17 11.932 9.116 -3.874 115 HA ASN 17 HA ASN 17 12.990 7.297 -1.921 116 HB2 ASN 17 2HB ASN 17 12.173 10.188 -1.658 117 HB3 ASN 17 1HB ASN 17 13.100 9.304 -0.458 118 HD21 ASN 17 1HD2 ASN 17 14.739 7.863 -2.458 119 HD22 ASN 17 2HD2 ASN 17 15.822 9.039 -3.073 120 H LEU 18 H LEU 18 10.085 8.906 -2.459 121 HA LEU 18 HA LEU 18 8.764 8.461 0.018 122 HB2 LEU 18 2HB LEU 18 8.369 10.310 -1.511 123 HB3 LEU 18 1HB LEU 18 7.884 9.199 -2.759 124 HG LEU 18 HG LEU 18 6.327 9.460 -0.204 125 HD11 LEU 18 1HD1 LEU 18 4.966 11.064 -1.397 126 HD12 LEU 18 2HD1 LEU 18 6.075 10.975 -2.784 127 HD13 LEU 18 3HD1 LEU 18 6.634 11.661 -1.255 128 HD21 LEU 18 3HD2 LEU 18 4.555 8.721 -1.665 129 HD22 LEU 18 1HD2 LEU 18 5.908 7.574 -1.597 130 HD23 LEU 18 2HD2 LEU 18 5.703 8.626 -3.014 131 H TRP 19 H TRP 19 8.964 6.755 -3.038 132 HA TRP 19 HA TRP 19 7.070 4.766 -2.452 133 HB2 TRP 19 2HB TRP 19 7.931 5.084 -4.717 134 HB3 TRP 19 1HB TRP 19 9.545 4.655 -4.184 135 HD1 TRP 19 HD1 TRP 19 10.195 2.326 -4.917 136 HE1 TRP 19 HE1 TRP 19 9.000 0.087 -5.317 137 HE3 TRP 19 HE3 TRP 19 5.427 3.684 -3.656 138 HZ2 TRP 19 HZ2 TRP 19 6.413 -0.968 -5.125 139 HZ3 TRP 19 HZ3 TRP 19 3.652 1.987 -3.792 140 HH2 TRP 19 HH2 TRP 19 4.138 -0.291 -4.511 141 H ALA 20 H ALA 20 10.557 4.942 -1.898 142 HA ALA 20 HA ALA 20 10.890 2.422 -0.712 143 HB1 ALA 20 3HB ALA 20 12.440 4.951 -0.135 144 HB2 ALA 20 1HB ALA 20 12.778 3.812 -1.443 145 HB3 ALA 20 2HB ALA 20 12.955 3.301 0.236 146 H TRP 21 H TRP 21 10.072 5.556 0.666 147 HA TRP 21 HA TRP 21 9.966 4.865 3.360 148 HB2 TRP 21 2HB TRP 21 9.822 7.179 2.881 149 HB3 TRP 21 1HB TRP 21 8.521 6.949 1.721 150 HD1 TRP 21 HD1 TRP 21 6.267 7.756 2.591 151 HE1 TRP 21 HE1 TRP 21 5.132 7.990 4.885 152 HE3 TRP 21 HE3 TRP 21 10.012 5.913 5.552 153 HZ2 TRP 21 HZ2 TRP 21 5.727 7.448 7.582 154 HZ3 TRP 21 HZ3 TRP 21 9.636 5.804 7.977 155 HH2 TRP 21 HH2 TRP 21 7.526 6.553 8.963 156 H LEU 22 H LEU 22 7.381 4.777 0.931 157 HA LEU 22 HA LEU 22 5.357 3.813 2.589 158 HB2 LEU 22 2HB LEU 22 4.959 4.772 0.367 159 HB3 LEU 22 1HB LEU 22 5.746 3.400 -0.378 160 HG LEU 22 HG LEU 22 3.939 1.928 0.440 161 HD11 LEU 22 1HD1 LEU 22 3.268 3.158 2.418 162 HD12 LEU 22 2HD1 LEU 22 1.890 2.924 1.343 163 HD13 LEU 22 3HD1 LEU 22 2.690 4.491 1.421 164 HD21 LEU 22 3HD2 LEU 22 2.982 4.319 -1.130 165 HD22 LEU 22 1HD2 LEU 22 2.199 2.740 -1.074 166 HD23 LEU 22 2HD2 LEU 22 3.804 2.904 -1.788 167 H VAL 23 H VAL 23 7.542 2.042 0.427 168 HA VAL 23 HA VAL 23 6.617 -0.519 0.920 169 HB VAL 23 HB VAL 23 9.392 0.419 0.145 170 HG11 VAL 23 1HG1 VAL 23 8.269 -2.383 0.062 171 HG12 VAL 23 2HG1 VAL 23 9.556 -1.803 1.128 172 HG13 VAL 23 3HG1 VAL 23 9.818 -1.862 -0.616 173 HG21 VAL 23 3HG2 VAL 23 8.707 -0.295 -2.095 174 HG22 VAL 23 1HG2 VAL 23 7.649 0.960 -1.454 175 HG23 VAL 23 2HG2 VAL 23 7.116 -0.719 -1.465 176 H ARG 24 H ARG 24 9.234 1.218 2.600 177 HA ARG 24 HA ARG 24 9.879 -1.055 4.228 178 HB2 ARG 24 2HB ARG 24 10.675 1.835 4.566 179 HB3 ARG 24 1HB ARG 24 11.350 0.488 5.467 180 HG2 ARG 24 2HG ARG 24 11.582 0.935 2.491 181 HG3 ARG 24 1HG ARG 24 12.844 1.196 3.692 182 HD2 ARG 24 2HD ARG 24 12.815 -1.196 4.237 183 HD3 ARG 24 1HD ARG 24 11.548 -1.443 3.034 184 HE ARG 24 HE ARG 24 13.576 -0.248 1.663 185 HH11 ARG 24 1HH1 ARG 24 13.240 -3.241 3.512 186 HH12 ARG 24 2HH1 ARG 24 14.482 -4.063 2.681 187 HH21 ARG 24 1HH2 ARG 24 15.203 -1.372 0.489 188 HH22 ARG 24 2HH2 ARG 24 15.612 -2.989 0.904 189 H LEU 25 H LEU 25 7.915 1.813 4.738 190 HA LEU 25 HA LEU 25 7.509 1.373 7.520 191 HB2 LEU 25 2HB LEU 25 7.147 3.499 6.137 192 HB3 LEU 25 1HB LEU 25 5.679 2.773 5.557 193 HG LEU 25 HG LEU 25 5.292 4.491 7.334 194 HD11 LEU 25 1HD1 LEU 25 3.790 3.293 8.708 195 HD12 LEU 25 2HD1 LEU 25 4.485 1.756 8.158 196 HD13 LEU 25 3HD1 LEU 25 3.645 2.815 7.011 197 HD21 LEU 25 3HD2 LEU 25 5.867 4.044 9.619 198 HD22 LEU 25 1HD2 LEU 25 7.322 4.081 8.625 199 HD23 LEU 25 2HD2 LEU 25 6.649 2.534 9.158 200 H LEU 26 H LEU 26 5.737 0.393 4.632 201 HA LEU 26 HA LEU 26 3.677 -0.992 6.028 202 HB2 LEU 26 2HB LEU 26 4.632 -1.143 3.232 203 HB3 LEU 26 1HB LEU 26 3.186 -1.919 3.869 204 HG LEU 26 HG LEU 26 3.694 0.981 3.362 205 HD11 LEU 26 1HD1 LEU 26 1.544 -0.850 3.400 206 HD12 LEU 26 2HD1 LEU 26 2.435 -0.427 1.890 207 HD13 LEU 26 3HD1 LEU 26 1.347 0.769 2.725 208 HD21 LEU 26 3HD2 LEU 26 3.207 0.961 5.768 209 HD22 LEU 26 1HD2 LEU 26 1.770 -0.022 5.469 210 HD23 LEU 26 2HD2 LEU 26 1.866 1.623 4.848 211 H SER 27 H SER 27 6.913 -1.850 5.095 212 HA SER 27 HA SER 27 6.572 -4.650 5.318 213 HB2 SER 27 2HB SER 27 9.021 -2.885 5.647 214 HB3 SER 27 1HB SER 27 9.067 -4.652 5.528 215 HG SER 27 HG SER 27 7.961 -2.931 3.548 216 H LYS 28 H LYS 28 6.749 -2.032 7.552 217 HA LYS 28 HA LYS 28 7.420 -3.731 9.762 218 HB2 LYS 28 2HB LYS 28 6.578 -0.856 9.914 219 HB3 LYS 28 1HB LYS 28 7.477 -1.787 11.108 220 HG2 LYS 28 2HG LYS 28 9.166 -2.057 9.079 221 HG3 LYS 28 1HG LYS 28 8.282 -0.707 8.528 222 HD2 LYS 28 2HD LYS 28 9.586 -0.758 11.222 223 HD3 LYS 28 1HD LYS 28 10.322 -0.025 9.793 224 HE2 LYS 28 2HE LYS 28 8.322 1.466 9.636 225 HE3 LYS 28 1HE LYS 28 7.757 0.802 11.165 226 HZ1 LYS 28 3HZ LYS 28 8.913 2.883 11.509 227 HZ2 LYS 28 1HZ LYS 28 10.282 2.297 10.732 228 HZ3 LYS 28 2HZ LYS 28 9.813 1.646 12.207 229 H ASN 29 H ASN 29 4.737 -3.091 7.942 230 HA ASN 29 HA ASN 29 2.878 -3.564 10.130 231 HB2 ASN 29 2HB ASN 29 2.616 -1.539 7.956 232 HB3 ASN 29 1HB ASN 29 1.306 -1.984 8.882 233 HD21 ASN 29 1HD2 ASN 29 4.168 -0.165 8.851 234 HD22 ASN 29 2HD2 ASN 29 3.977 0.612 10.378 235 HA PRO 30 HA PRO 30 2.094 -6.012 6.108 236 HB2 PRO 30 2HB PRO 30 2.694 -8.445 7.641 237 HB3 PRO 30 1HB PRO 30 3.359 -7.938 6.089 238 HG2 PRO 30 2HG PRO 30 4.870 -7.970 8.320 239 HG3 PRO 30 1HG PRO 30 5.085 -6.745 7.062 240 HD2 PRO 30 2HD PRO 30 3.621 -6.530 9.671 241 HD3 PRO 30 1HD PRO 30 4.746 -5.379 8.921 242 H GLU 31 H GLU 31 1.485 -6.174 9.414 243 HA GLU 31 HA GLU 31 -0.745 -7.874 9.456 244 HB2 GLU 31 2HB GLU 31 -0.030 -5.721 11.439 245 HB3 GLU 31 1HB GLU 31 -1.041 -7.130 11.717 246 HG2 GLU 31 2HG GLU 31 1.902 -7.153 11.110 247 HG3 GLU 31 1HG GLU 31 1.164 -7.442 12.690 248 H TRP 32 H TRP 32 -0.336 -4.273 9.309 249 HA TRP 32 HA TRP 32 -3.155 -3.876 9.206 250 HB2 TRP 32 2HB TRP 32 -1.832 -2.065 10.070 251 HB3 TRP 32 1HB TRP 32 -0.785 -2.085 8.652 252 HD1 TRP 32 HD1 TRP 32 -4.287 -0.930 9.740 253 HE1 TRP 32 HE1 TRP 32 -5.161 0.733 7.985 254 HE3 TRP 32 HE3 TRP 32 -0.568 -1.370 6.313 255 HZ2 TRP 32 HZ2 TRP 32 -4.358 1.722 5.432 256 HZ3 TRP 32 HZ3 TRP 32 -0.658 -0.097 4.284 257 HH2 TRP 32 HH2 TRP 32 -2.542 1.481 3.838 258 H LEU 33 H LEU 33 -0.530 -4.070 6.905 259 HA LEU 33 HA LEU 33 -1.885 -3.113 4.675 260 HB2 LEU 33 2HB LEU 33 0.599 -3.449 5.101 261 HB3 LEU 33 1HB LEU 33 0.371 -5.098 4.658 262 HG LEU 33 HG LEU 33 1.335 -3.594 2.847 263 HD11 LEU 33 1HD1 LEU 33 0.343 -5.737 2.241 264 HD12 LEU 33 2HD1 LEU 33 -0.021 -4.450 1.060 265 HD13 LEU 33 3HD1 LEU 33 -1.240 -4.938 2.228 266 HD21 LEU 33 3HD2 LEU 33 -1.481 -2.650 2.635 267 HD22 LEU 33 1HD2 LEU 33 -0.108 -2.202 1.634 268 HD23 LEU 33 2HD2 LEU 33 -0.169 -1.719 3.345 269 H SER 34 H SER 34 -1.472 -6.439 5.781 270 HA SER 34 HA SER 34 -2.891 -7.593 3.647 271 HB2 SER 34 2HB SER 34 -3.154 -9.591 5.196 272 HB3 SER 34 1HB SER 34 -1.505 -9.019 4.960 273 HG SER 34 HG SER 34 -1.414 -8.323 6.924 274 H ALA 35 H ALA 35 -4.047 -6.273 6.671 275 HA ALA 35 HA ALA 35 -6.730 -7.090 6.545 276 HB1 ALA 35 3HB ALA 35 -5.545 -4.585 7.722 277 HB2 ALA 35 1HB ALA 35 -5.744 -6.129 8.550 278 HB3 ALA 35 2HB ALA 35 -7.163 -5.201 8.043 279 H LYS 36 H LYS 36 -5.104 -4.204 5.279 280 HA LYS 36 HA LYS 36 -7.493 -3.264 4.088 281 HB2 LYS 36 2HB LYS 36 -4.630 -2.411 3.788 282 HB3 LYS 36 1HB LYS 36 -5.924 -1.706 2.824 283 HG2 LYS 36 2HG LYS 36 -5.587 -1.676 5.786 284 HG3 LYS 36 1HG LYS 36 -5.637 -0.315 4.665 285 HD2 LYS 36 2HD LYS 36 -8.031 -1.130 4.098 286 HD3 LYS 36 1HD LYS 36 -7.900 -2.075 5.589 287 HE2 LYS 36 2HE LYS 36 -7.325 0.018 6.780 288 HE3 LYS 36 1HE LYS 36 -7.556 0.765 5.183 289 HZ1 LYS 36 3HZ LYS 36 -9.558 1.091 6.502 290 HZ2 LYS 36 1HZ LYS 36 -9.705 -0.579 6.759 291 HZ3 LYS 36 2HZ LYS 36 -9.883 0.073 5.224 292 H LEU 37 H LEU 37 -4.915 -5.363 3.009 293 HA LEU 37 HA LEU 37 -5.501 -5.414 0.292 294 HB2 LEU 37 2HB LEU 37 -4.610 -7.705 2.015 295 HB3 LEU 37 1HB LEU 37 -4.716 -7.728 0.270 296 HG LEU 37 HG LEU 37 -2.871 -6.039 1.933 297 HD11 LEU 37 1HD1 LEU 37 -2.292 -8.429 1.840 298 HD12 LEU 37 2HD1 LEU 37 -1.115 -7.431 1.007 299 HD13 LEU 37 3HD1 LEU 37 -2.302 -8.351 0.079 300 HD21 LEU 37 3HD2 LEU 37 -1.866 -5.374 -0.217 301 HD22 LEU 37 1HD2 LEU 37 -3.538 -4.836 -0.085 302 HD23 LEU 37 2HD2 LEU 37 -3.142 -6.242 -1.069 303 H ARG 38 H ARG 38 -6.829 -7.475 2.871 304 HA ARG 38 HA ARG 38 -8.439 -8.868 1.120 305 HB2 ARG 38 2HB ARG 38 -9.859 -9.394 3.087 306 HB3 ARG 38 1HB ARG 38 -8.160 -9.979 3.131 307 HG2 ARG 38 2HG ARG 38 -8.203 -9.056 5.257 308 HG3 ARG 38 1HG ARG 38 -8.105 -7.610 4.251 309 HD2 ARG 38 2HD ARG 38 -10.417 -7.179 4.331 310 HD3 ARG 38 1HD ARG 38 -10.768 -8.754 5.041 311 HE ARG 38 HE ARG 38 -9.102 -7.507 6.822 312 HH11 ARG 38 1HH1 ARG 38 -12.349 -6.858 5.546 313 HH12 ARG 38 2HH1 ARG 38 -12.843 -5.970 6.917 314 HH21 ARG 38 1HH2 ARG 38 -9.798 -6.250 8.665 315 HH22 ARG 38 2HH2 ARG 38 -11.358 -5.606 8.717 316 H SER 39 H SER 39 -9.002 -5.895 2.655 317 HA SER 39 HA SER 39 -11.635 -5.647 2.143 318 HB2 SER 39 2HB SER 39 -9.361 -3.886 2.600 319 HB3 SER 39 1HB SER 39 -11.007 -3.295 2.687 320 HG SER 39 HG SER 39 -9.560 -4.794 4.514 321 H PHE 40 H PHE 40 -8.688 -4.487 0.398 322 HA PHE 40 HA PHE 40 -10.209 -3.138 -1.676 323 HB2 PHE 40 2HB PHE 40 -7.290 -3.512 -1.176 324 HB3 PHE 40 1HB PHE 40 -7.911 -2.716 -2.612 325 HD1 PHE 40 HD1 PHE 40 -9.732 -0.965 -2.118 326 HD2 PHE 40 HD2 PHE 40 -6.777 -2.131 0.632 327 HE1 PHE 40 HE1 PHE 40 -10.041 1.195 -0.906 328 HE2 PHE 40 HE2 PHE 40 -7.049 0.001 1.871 329 HZ PHE 40 HZ PHE 40 -8.682 1.661 1.093 330 H LEU 41 H LEU 41 -8.168 -5.985 -1.504 331 HA LEU 41 HA LEU 41 -8.285 -6.537 -4.269 332 HB2 LEU 41 2HB LEU 41 -7.247 -7.914 -1.824 333 HB3 LEU 41 1HB LEU 41 -7.290 -8.701 -3.378 334 HG LEU 41 HG LEU 41 -5.753 -7.156 -4.278 335 HD11 LEU 41 1HD1 LEU 41 -4.632 -5.477 -2.913 336 HD12 LEU 41 2HD1 LEU 41 -5.984 -5.680 -1.742 337 HD13 LEU 41 3HD1 LEU 41 -6.294 -5.212 -3.432 338 HD21 LEU 41 3HD2 LEU 41 -4.789 -9.050 -3.201 339 HD22 LEU 41 1HD2 LEU 41 -4.900 -8.266 -1.625 340 HD23 LEU 41 2HD2 LEU 41 -3.793 -7.639 -2.838 341 HA PRO 42 HA PRO 42 -11.862 -9.266 -3.772 342 HB2 PRO 42 2HB PRO 42 -12.270 -9.643 -6.426 343 HB3 PRO 42 1HB PRO 42 -12.822 -8.177 -5.614 344 HG2 PRO 42 2HG PRO 42 -10.419 -8.587 -7.344 345 HG3 PRO 42 1HG PRO 42 -11.501 -7.188 -7.245 346 HD2 PRO 42 2HD PRO 42 -9.030 -7.365 -6.052 347 HD3 PRO 42 1HD PRO 42 -10.324 -6.270 -5.526 348 H THR 43 H THR 43 -8.808 -9.387 -5.051 349 HA THR 43 HA THR 43 -8.643 -12.239 -5.578 350 HB THR 43 HB THR 43 -6.491 -11.372 -6.641 351 HG1 THR 43 HG1 THR 43 -6.673 -9.076 -7.129 352 HG21 THR 43 3HG2 THR 43 -9.200 -10.522 -7.513 353 HG22 THR 43 1HG2 THR 43 -8.439 -12.062 -7.878 354 HG23 THR 43 2HG2 THR 43 -7.788 -10.564 -8.599 355 H MET 44 H MET 44 -8.704 -10.906 -3.035 356 HA MET 44 HA MET 44 -6.193 -10.524 -1.916 357 HB2 MET 44 2HB MET 44 -7.246 -11.042 0.322 358 HB3 MET 44 1HB MET 44 -7.577 -9.586 -0.585 359 HG2 MET 44 2HG MET 44 -9.306 -10.290 0.376 360 HG3 MET 44 1HG MET 44 -9.679 -10.560 -1.327 361 HE1 MET 44 3HE MET 44 -11.813 -13.450 0.249 362 HE2 MET 44 1HE MET 44 -11.760 -12.150 -0.941 363 HE3 MET 44 2HE MET 44 -11.644 -11.780 0.780 364 H ASP 45 H ASP 45 -4.760 -11.793 -2.439 365 HA ASP 45 HA ASP 45 -4.684 -14.329 -1.018 366 HB2 ASP 45 2HB ASP 45 -3.377 -13.526 -3.638 367 HB3 ASP 45 1HB ASP 45 -2.820 -14.906 -2.705 368 H LEU 46 H LEU 46 -4.112 -13.258 0.758 369 HA LEU 46 HA LEU 46 -1.659 -11.687 0.739 370 HB2 LEU 46 2HB LEU 46 -2.351 -11.042 3.072 371 HB3 LEU 46 1HB LEU 46 -3.418 -10.521 1.791 372 HG LEU 46 HG LEU 46 -4.796 -12.620 2.398 373 HD11 LEU 46 1HD1 LEU 46 -3.254 -12.331 4.955 374 HD12 LEU 46 2HD1 LEU 46 -3.254 -13.715 3.865 375 HD13 LEU 46 3HD1 LEU 46 -4.723 -13.284 4.743 376 HD21 LEU 46 3HD2 LEU 46 -6.055 -11.359 4.087 377 HD22 LEU 46 1HD2 LEU 46 -5.606 -10.371 2.702 378 HD23 LEU 46 2HD2 LEU 46 -4.722 -10.212 4.212 379 H ASP 47 H ASP 47 -2.542 -14.784 1.196 380 HA ASP 47 HA ASP 47 -0.693 -15.419 3.328 381 HB2 ASP 47 2HB ASP 47 -1.548 -17.673 3.178 382 HB3 ASP 47 1HB ASP 47 -2.905 -16.553 3.030 383 H CYS 48 H CYS 48 -0.261 -14.600 0.302 384 HA CYS 48 HA CYS 48 1.465 -16.737 -0.632 385 HB2 CYS 48 2HB CYS 48 0.747 -14.083 -1.865 386 HB3 CYS 48 1HB CYS 48 1.612 -15.389 -2.669 387 HG CYS 48 HG CYS 48 -0.889 -17.015 -1.815 388 H SER 49 H SER 49 2.240 -15.189 1.734 389 HA SER 49 HA SER 49 4.456 -13.567 0.911 390 HB2 SER 49 2HB SER 49 3.709 -14.601 3.663 391 HB3 SER 49 1HB SER 49 4.855 -13.306 3.311 392 HG SER 49 HG SER 49 2.241 -13.098 3.687 393 H TYR 50 H TYR 50 5.622 -14.955 -0.325 394 HA TYR 50 HA TYR 50 6.643 -17.439 0.549 395 HB2 TYR 50 2HB TYR 50 8.437 -16.746 -1.351 396 HB3 TYR 50 1HB TYR 50 6.869 -17.482 -1.718 397 HD1 TYR 50 HD1 TYR 50 8.490 -14.130 -1.237 398 HD2 TYR 50 HD2 TYR 50 5.470 -16.383 -3.208 399 HE1 TYR 50 HE1 TYR 50 7.906 -12.161 -2.595 400 HE2 TYR 50 HE2 TYR 50 4.881 -14.425 -4.557 401 HH TYR 50 HH TYR 50 6.820 -11.675 -4.761 402 H GLU 51 H GLU 51 7.651 -14.340 1.062 403 HA GLU 51 HA GLU 51 9.855 -15.249 2.628 404 HB2 GLU 51 2HB GLU 51 9.631 -13.051 0.610 405 HB3 GLU 51 1HB GLU 51 10.758 -12.990 1.928 406 HG2 GLU 51 2HG GLU 51 11.787 -15.115 1.119 407 HG3 GLU 51 1HG GLU 51 10.638 -15.130 -0.213 408 HA PRO 52 HA PRO 52 7.976 -12.627 5.808 409 HB2 PRO 52 2HB PRO 52 10.545 -11.171 6.005 410 HB3 PRO 52 1HB PRO 52 9.642 -12.020 7.266 411 HG2 PRO 52 2HG PRO 52 11.844 -13.031 6.306 412 HG3 PRO 52 1HG PRO 52 10.437 -14.083 6.602 413 HD2 PRO 52 2HD PRO 52 11.452 -12.948 4.022 414 HD3 PRO 52 1HD PRO 52 10.876 -14.593 4.374 415 H SER 53 H SER 53 9.179 -9.998 6.349 416 HA SER 53 HA SER 53 7.382 -8.386 4.795 417 HB2 SER 53 2HB SER 53 9.481 -7.547 6.790 418 HB3 SER 53 1HB SER 53 8.089 -6.601 6.265 419 HG SER 53 HG SER 53 7.316 -7.463 8.014 420 H ASN 54 H ASN 54 9.337 -9.547 3.175 421 HA ASN 54 HA ASN 54 11.493 -7.883 2.492 422 HB2 ASN 54 2HB ASN 54 10.048 -10.189 1.394 423 HB3 ASN 54 1HB ASN 54 11.143 -9.325 0.330 424 HD21 ASN 54 1HD2 ASN 54 13.292 -9.631 0.646 425 HD22 ASN 54 2HD2 ASN 54 13.980 -10.704 1.805 426 HA PRO 55 HA PRO 55 9.604 -4.628 0.246 427 HB2 PRO 55 2HB PRO 55 11.440 -4.358 -1.818 428 HB3 PRO 55 1HB PRO 55 11.611 -3.651 -0.208 429 HG2 PRO 55 2HG PRO 55 12.811 -6.143 -1.324 430 HG3 PRO 55 1HG PRO 55 13.522 -4.947 -0.224 431 HD2 PRO 55 2HD PRO 55 12.605 -7.326 0.652 432 HD3 PRO 55 1HD PRO 55 12.464 -5.858 1.638 433 H GLU 56 H GLU 56 10.680 -7.382 -1.712 434 HA GLU 56 HA GLU 56 9.027 -6.659 -3.934 435 HB2 GLU 56 2HB GLU 56 10.397 -9.266 -3.329 436 HB3 GLU 56 1HB GLU 56 9.711 -8.801 -4.878 437 HG2 GLU 56 2HG GLU 56 11.320 -7.069 -5.137 438 HG3 GLU 56 1HG GLU 56 11.931 -7.322 -3.504 439 H VAL 57 H VAL 57 8.708 -8.615 -1.095 440 HA VAL 57 HA VAL 57 6.393 -10.052 -1.832 441 HB VAL 57 HB VAL 57 7.314 -9.156 0.922 442 HG11 VAL 57 1HG1 VAL 57 5.302 -11.285 0.172 443 HG12 VAL 57 2HG1 VAL 57 4.938 -9.742 0.947 444 HG13 VAL 57 3HG1 VAL 57 5.894 -10.961 1.804 445 HG21 VAL 57 3HG2 VAL 57 8.193 -11.373 1.188 446 HG22 VAL 57 1HG2 VAL 57 8.925 -10.569 -0.194 447 HG23 VAL 57 2HG2 VAL 57 7.687 -11.812 -0.450 448 H ILE 58 H ILE 58 6.959 -7.153 0.024 449 HA ILE 58 HA ILE 58 4.345 -6.275 0.378 450 HB ILE 58 HB ILE 58 6.920 -4.705 0.155 451 HG12 ILE 58 2HG1 ILE 58 6.943 -6.327 1.977 452 HG13 ILE 58 1HG1 ILE 58 6.861 -4.683 2.591 453 HG21 ILE 58 1HG2 ILE 58 5.085 -3.188 -0.228 454 HG22 ILE 58 2HG2 ILE 58 5.779 -2.892 1.369 455 HG23 ILE 58 3HG2 ILE 58 4.260 -3.776 1.214 456 HD11 ILE 58 3HD1 ILE 58 5.449 -6.178 3.876 457 HD12 ILE 58 1HD1 ILE 58 4.541 -6.599 2.422 458 HD13 ILE 58 2HD1 ILE 58 4.494 -4.948 3.055 459 H HIS 59 H HIS 59 6.663 -5.663 -2.204 460 HA HIS 59 HA HIS 59 5.225 -3.786 -3.667 461 HB2 HIS 59 2HB HIS 59 7.661 -4.394 -4.008 462 HB3 HIS 59 1HB HIS 59 7.122 -5.825 -4.863 463 HD1 HIS 59 HD1 HIS 59 8.523 -4.771 -6.882 464 HD2 HIS 59 HD2 HIS 59 5.097 -2.682 -5.805 465 HE1 HIS 59 HE1 HIS 59 8.064 -3.175 -8.780 466 HE2 HIS 59 HE2 HIS 59 6.122 -1.771 -7.980 467 H ARG 60 H ARG 60 4.960 -7.371 -3.781 468 HA ARG 60 HA ARG 60 3.306 -7.571 -6.022 469 HB2 ARG 60 2HB ARG 60 4.339 -9.503 -5.103 470 HB3 ARG 60 1HB ARG 60 3.643 -9.205 -3.524 471 HG2 ARG 60 2HG ARG 60 1.416 -9.623 -4.405 472 HG3 ARG 60 1HG ARG 60 2.122 -9.958 -5.993 473 HD2 ARG 60 2HD ARG 60 2.910 -11.402 -3.523 474 HD3 ARG 60 1HD ARG 60 1.538 -11.967 -4.494 475 HE ARG 60 HE ARG 60 4.383 -11.960 -5.180 476 HH11 ARG 60 1HH1 ARG 60 1.059 -12.867 -6.073 477 HH12 ARG 60 2HH1 ARG 60 1.535 -13.919 -7.323 478 HH21 ARG 60 1HH2 ARG 60 5.001 -13.432 -6.893 479 HH22 ARG 60 2HH2 ARG 60 3.818 -14.307 -7.755 480 H GLN 61 H GLN 61 2.688 -7.048 -2.676 481 HA GLN 61 HA GLN 61 -0.135 -7.329 -2.719 482 HB2 GLN 61 2HB GLN 61 1.586 -5.839 -0.744 483 HB3 GLN 61 1HB GLN 61 -0.030 -6.484 -0.458 484 HG2 GLN 61 2HG GLN 61 0.813 -8.707 -0.963 485 HG3 GLN 61 1HG GLN 61 2.426 -8.075 -1.106 486 HE21 GLN 61 1HE2 GLN 61 1.441 -10.078 0.727 487 HE22 GLN 61 2HE2 GLN 61 1.787 -9.500 2.313 488 H LEU 62 H LEU 62 2.013 -4.685 -2.910 489 HA LEU 62 HA LEU 62 -0.040 -2.677 -3.131 490 HB2 LEU 62 2HB LEU 62 2.938 -2.583 -3.530 491 HB3 LEU 62 1HB LEU 62 1.954 -1.237 -4.047 492 HG LEU 62 HG LEU 62 2.998 -0.809 -1.860 493 HD11 LEU 62 1HD1 LEU 62 0.039 -1.163 -1.582 494 HD12 LEU 62 2HD1 LEU 62 0.840 0.210 -2.347 495 HD13 LEU 62 3HD1 LEU 62 1.064 -0.098 -0.625 496 HD21 LEU 62 3HD2 LEU 62 2.333 -2.024 0.138 497 HD22 LEU 62 1HD2 LEU 62 3.117 -3.101 -1.017 498 HD23 LEU 62 2HD2 LEU 62 1.363 -3.123 -0.842 499 H ASN 63 H ASN 63 1.740 -4.655 -5.424 500 HA ASN 63 HA ASN 63 1.220 -3.382 -7.826 501 HB2 ASN 63 2HB ASN 63 2.775 -5.305 -7.334 502 HB3 ASN 63 1HB ASN 63 1.308 -6.262 -7.146 503 HD21 ASN 63 1HD2 ASN 63 0.315 -7.108 -8.801 504 HD22 ASN 63 2HD2 ASN 63 0.816 -6.883 -10.428 505 H ARG 64 H ARG 64 -0.571 -5.612 -5.827 506 HA ARG 64 HA ARG 64 -2.684 -6.198 -7.505 507 HB2 ARG 64 2HB ARG 64 -2.410 -6.029 -4.539 508 HB3 ARG 64 1HB ARG 64 -3.981 -6.319 -5.255 509 HG2 ARG 64 2HG ARG 64 -1.560 -8.031 -5.741 510 HG3 ARG 64 1HG ARG 64 -2.785 -8.377 -4.515 511 HD2 ARG 64 2HD ARG 64 -4.415 -8.127 -6.513 512 HD3 ARG 64 1HD ARG 64 -2.984 -8.433 -7.495 513 HE ARG 64 HE ARG 64 -3.474 -10.286 -5.341 514 HH11 ARG 64 1HH1 ARG 64 -3.681 -9.721 -8.829 515 HH12 ARG 64 2HH1 ARG 64 -4.217 -11.280 -9.180 516 HH21 ARG 64 1HH2 ARG 64 -4.259 -12.458 -5.864 517 HH22 ARG 64 2HH2 ARG 64 -4.490 -12.862 -7.495 518 H LEU 65 H LEU 65 -2.446 -3.683 -5.024 519 HA LEU 65 HA LEU 65 -4.925 -2.497 -5.386 520 HB2 LEU 65 2HB LEU 65 -2.344 -1.192 -4.573 521 HB3 LEU 65 1HB LEU 65 -3.939 -0.515 -4.324 522 HG LEU 65 HG LEU 65 -2.970 -3.085 -3.080 523 HD11 LEU 65 1HD1 LEU 65 -3.317 -0.346 -1.927 524 HD12 LEU 65 2HD1 LEU 65 -1.770 -1.076 -2.341 525 HD13 LEU 65 3HD1 LEU 65 -2.770 -1.784 -1.061 526 HD21 LEU 65 3HD2 LEU 65 -4.932 -2.802 -1.669 527 HD22 LEU 65 1HD2 LEU 65 -5.383 -2.969 -3.363 528 HD23 LEU 65 2HD2 LEU 65 -5.402 -1.380 -2.596 529 H PHE 66 H PHE 66 -1.875 -1.978 -7.030 530 HA PHE 66 HA PHE 66 -2.365 0.310 -8.529 531 HB2 PHE 66 2HB PHE 66 -0.173 -0.856 -8.337 532 HB3 PHE 66 1HB PHE 66 -0.796 -2.166 -9.318 533 HD1 PHE 66 HD1 PHE 66 -1.059 -1.885 -11.734 534 HD2 PHE 66 HD2 PHE 66 0.484 1.239 -9.295 535 HE1 PHE 66 HE1 PHE 66 -0.207 -0.748 -13.740 536 HE2 PHE 66 HE2 PHE 66 1.334 2.384 -11.300 537 HZ PHE 66 HZ PHE 66 0.991 1.392 -13.523 538 H ALA 67 H ALA 67 -3.087 -3.088 -9.258 539 HA ALA 67 HA ALA 67 -4.397 -2.477 -11.750 540 HB1 ALA 67 3HB ALA 67 -3.179 -4.584 -11.447 541 HB2 ALA 67 1HB ALA 67 -4.873 -4.876 -11.840 542 HB3 ALA 67 2HB ALA 67 -4.314 -5.058 -10.180 543 H GLN 68 H GLN 68 -5.318 -2.956 -8.423 544 HA GLN 68 HA GLN 68 -8.039 -3.435 -8.581 545 HB2 GLN 68 2HB GLN 68 -6.188 -2.190 -6.653 546 HB3 GLN 68 1HB GLN 68 -7.859 -1.877 -6.506 547 HG2 GLN 68 2HG GLN 68 -7.126 -3.734 -5.037 548 HG3 GLN 68 1HG GLN 68 -8.477 -4.045 -6.027 549 HE21 GLN 68 1HE2 GLN 68 -6.757 -4.703 -8.422 550 HE22 GLN 68 2HE2 GLN 68 -6.147 -6.282 -8.099 551 H GLY 69 H GLY 69 -6.232 -0.385 -8.396 552 HA2 GLY 69 2HA GLY 69 -7.913 1.141 -10.019 553 HA3 GLY 69 1HA GLY 69 -8.565 1.147 -8.417 554 H MET 70 H MET 70 -6.954 2.971 -10.323 555 HA MET 70 HA MET 70 -4.940 3.991 -8.561 556 HB2 MET 70 2HB MET 70 -4.927 5.985 -9.972 557 HB3 MET 70 1HB MET 70 -5.069 4.587 -11.022 558 HG2 MET 70 2HG MET 70 -7.469 4.976 -11.219 559 HG3 MET 70 1HG MET 70 -7.329 6.381 -10.165 560 HE1 MET 70 3HE MET 70 -8.766 6.534 -12.903 561 HE2 MET 70 1HE MET 70 -8.119 8.045 -13.533 562 HE3 MET 70 2HE MET 70 -8.515 7.904 -11.823 563 H ALA 71 H ALA 71 -8.330 4.172 -8.938 564 HA ALA 71 HA ALA 71 -8.896 6.304 -7.131 565 HB1 ALA 71 3HB ALA 71 -10.506 5.610 -8.829 566 HB2 ALA 71 1HB ALA 71 -11.204 5.369 -7.223 567 HB3 ALA 71 2HB ALA 71 -10.559 3.996 -8.136 568 H THR 72 H THR 72 -8.598 2.762 -6.977 569 HA THR 72 HA THR 72 -9.349 2.402 -4.334 570 HB THR 72 HB THR 72 -7.576 0.821 -6.232 571 HG1 THR 72 HG1 THR 72 -10.245 0.295 -5.488 572 HG21 THR 72 3HG2 THR 72 -8.026 -1.131 -4.715 573 HG22 THR 72 1HG2 THR 72 -8.839 -0.052 -3.602 574 HG23 THR 72 2HG2 THR 72 -7.112 0.118 -3.887 575 H TRP 73 H TRP 73 -6.314 3.258 -5.889 576 HA TRP 73 HA TRP 73 -4.630 2.916 -3.664 577 HB2 TRP 73 2HB TRP 73 -4.009 3.153 -6.141 578 HB3 TRP 73 1HB TRP 73 -4.205 4.882 -5.926 579 HD1 TRP 73 HD1 TRP 73 -2.300 6.143 -4.558 580 HE1 TRP 73 HE1 TRP 73 0.094 5.520 -3.913 581 HE3 TRP 73 HE3 TRP 73 -2.536 1.157 -5.479 582 HZ2 TRP 73 HZ2 TRP 73 1.696 3.211 -3.843 583 HZ3 TRP 73 HZ3 TRP 73 -0.510 -0.199 -5.121 584 HH2 TRP 73 HH2 TRP 73 1.559 0.815 -4.320 585 H LYS 74 H LYS 74 -6.443 5.783 -4.886 586 HA LYS 74 HA LYS 74 -5.734 7.643 -2.951 587 HB2 LYS 74 2HB LYS 74 -8.492 7.351 -4.179 588 HB3 LYS 74 1HB LYS 74 -7.767 8.813 -3.516 589 HG2 LYS 74 2HG LYS 74 -6.055 8.643 -5.347 590 HG3 LYS 74 1HG LYS 74 -7.045 7.354 -6.014 591 HD2 LYS 74 2HD LYS 74 -8.900 8.899 -6.216 592 HD3 LYS 74 1HD LYS 74 -7.890 10.137 -5.430 593 HE2 LYS 74 2HE LYS 74 -6.260 9.941 -7.174 594 HE3 LYS 74 1HE LYS 74 -7.268 8.739 -7.982 595 HZ1 LYS 74 3HZ LYS 74 -7.282 11.111 -8.769 596 HZ2 LYS 74 1HZ LYS 74 -8.239 11.504 -7.468 597 HZ3 LYS 74 2HZ LYS 74 -8.800 10.391 -8.636 598 H SER 75 H SER 75 -8.503 5.352 -2.801 599 HA SER 75 HA SER 75 -9.395 6.004 -0.367 600 HB2 SER 75 2HB SER 75 -9.198 3.335 -1.729 601 HB3 SER 75 1HB SER 75 -10.390 3.849 -0.541 602 HG SER 75 HG SER 75 -11.378 5.054 -2.002 603 H PHE 76 H PHE 76 -6.916 3.800 -1.424 604 HA PHE 76 HA PHE 76 -6.296 2.502 0.955 605 HB2 PHE 76 2HB PHE 76 -5.599 1.720 -1.264 606 HB3 PHE 76 1HB PHE 76 -4.502 3.075 -1.388 607 HD1 PHE 76 HD2 PHE 76 -5.231 0.225 0.877 608 HD2 PHE 76 HD1 PHE 76 -2.301 2.800 -0.802 609 HE1 PHE 76 HE2 PHE 76 -3.468 -1.075 1.988 610 HE2 PHE 76 HE1 PHE 76 -0.524 1.514 0.317 611 HZ PHE 76 HZ PHE 76 -1.126 -0.452 1.709 612 H ILE 77 H ILE 77 -4.726 5.419 -0.545 613 HA ILE 77 HA ILE 77 -2.872 5.479 1.538 614 HB ILE 77 HB ILE 77 -3.621 7.658 -0.402 615 HG12 ILE 77 2HG1 ILE 77 -2.803 5.612 -1.504 616 HG13 ILE 77 1HG1 ILE 77 -1.645 6.927 -1.663 617 HG21 ILE 77 1HG2 ILE 77 -1.122 7.308 1.277 618 HG22 ILE 77 2HG2 ILE 77 -2.452 8.392 1.666 619 HG23 ILE 77 3HG2 ILE 77 -1.488 8.668 0.207 620 HD11 ILE 77 3HD1 ILE 77 -0.504 4.857 -1.237 621 HD12 ILE 77 1HD1 ILE 77 -1.455 4.589 0.229 622 HD13 ILE 77 2HD1 ILE 77 -0.320 5.932 0.152 623 H ASN 78 H ASN 78 -6.015 6.939 1.175 624 HA ASN 78 HA ASN 78 -5.895 8.756 3.384 625 HB2 ASN 78 2HB ASN 78 -8.283 7.188 2.339 626 HB3 ASN 78 1HB ASN 78 -8.391 8.483 3.512 627 HD21 ASN 78 1HD2 ASN 78 -6.504 10.299 2.145 628 HD22 ASN 78 2HD2 ASN 78 -7.324 10.786 0.728 629 H ASP 79 H ASP 79 -6.612 5.312 3.235 630 HA ASP 79 HA ASP 79 -7.021 5.203 6.077 631 HB2 ASP 79 2HB ASP 79 -6.863 3.091 3.969 632 HB3 ASP 79 1HB ASP 79 -6.645 2.705 5.683 633 H LEU 80 H LEU 80 -4.417 4.598 3.916 634 HA LEU 80 HA LEU 80 -2.489 3.375 5.474 635 HB2 LEU 80 2HB LEU 80 -2.447 3.926 3.051 636 HB3 LEU 80 1HB LEU 80 -2.234 5.573 3.430 637 HG LEU 80 HG LEU 80 -0.227 4.663 2.544 638 HD11 LEU 80 1HD1 LEU 80 0.147 5.252 5.448 639 HD12 LEU 80 2HD1 LEU 80 0.183 6.392 4.105 640 HD13 LEU 80 3HD1 LEU 80 1.436 5.159 4.250 641 HD21 LEU 80 3HD2 LEU 80 -0.635 2.434 3.094 642 HD22 LEU 80 1HD2 LEU 80 -0.316 2.751 4.798 643 HD23 LEU 80 2HD2 LEU 80 1.000 2.918 3.594 644 H CYS 81 H CYS 81 -3.011 6.849 5.014 645 HA CYS 81 HA CYS 81 -1.136 7.634 6.955 646 HB2 CYS 81 2HB CYS 81 -2.273 9.859 6.664 647 HB3 CYS 81 1HB CYS 81 -1.636 9.112 5.185 648 HG CYS 81 HG CYS 81 -3.988 8.629 4.091 649 H PHE 82 H PHE 82 -4.548 7.083 7.077 650 HA PHE 82 HA PHE 82 -5.010 8.356 9.596 651 HB2 PHE 82 2HB PHE 82 -6.695 7.789 7.661 652 HB3 PHE 82 1HB PHE 82 -6.756 6.239 8.436 653 HD1 PHE 82 HD1 PHE 82 -7.251 9.831 9.195 654 HD2 PHE 82 HD2 PHE 82 -8.160 5.809 10.206 655 HE1 PHE 82 HE1 PHE 82 -8.935 10.625 10.801 656 HE2 PHE 82 HE2 PHE 82 -9.848 6.591 11.821 657 HZ PHE 82 HZ PHE 82 -10.239 9.001 12.118 658 H GLU 83 H GLU 83 -4.901 4.932 8.629 659 HA GLU 83 HA GLU 83 -5.433 4.018 11.255 660 HB2 GLU 83 2HB GLU 83 -4.695 2.583 8.765 661 HB3 GLU 83 1HB GLU 83 -5.063 1.788 10.288 662 HG2 GLU 83 2HG GLU 83 -6.915 3.534 8.680 663 HG3 GLU 83 1HG GLU 83 -6.940 1.786 8.893 664 H LEU 84 H LEU 84 -2.512 4.703 9.516 665 HA LEU 84 HA LEU 84 -0.938 2.919 11.169 666 HB2 LEU 84 2HB LEU 84 -0.114 4.828 8.994 667 HB3 LEU 84 1HB LEU 84 1.013 3.829 9.893 668 HG LEU 84 HG LEU 84 -1.199 2.823 8.097 669 HD11 LEU 84 1HD1 LEU 84 1.789 2.842 7.765 670 HD12 LEU 84 2HD1 LEU 84 0.632 3.801 6.853 671 HD13 LEU 84 3HD1 LEU 84 0.651 2.047 6.682 672 HD21 LEU 84 3HD2 LEU 84 0.905 1.320 9.657 673 HD22 LEU 84 1HD2 LEU 84 -0.175 0.617 8.452 674 HD23 LEU 84 2HD2 LEU 84 -0.840 1.282 9.934 675 H ASP 85 H ASP 85 -2.385 5.362 12.120 676 HA ASP 85 HA ASP 85 -2.278 6.580 13.997 677 HB2 ASP 85 2HB ASP 85 0.556 5.573 14.358 678 HB3 ASP 85 1HB ASP 85 -0.359 6.477 15.549 679 H VAL 86 H VAL 86 0.896 6.837 12.530 680 HA VAL 86 HA VAL 86 1.047 9.591 13.203 681 HB VAL 86 HB VAL 86 3.203 9.617 11.912 682 HG11 VAL 86 1HG1 VAL 86 2.890 7.403 13.934 683 HG12 VAL 86 2HG1 VAL 86 3.174 9.105 14.289 684 HG13 VAL 86 3HG1 VAL 86 4.414 8.158 13.467 685 HG21 VAL 86 3HG2 VAL 86 4.144 7.478 11.131 686 HG22 VAL 86 1HG2 VAL 86 2.679 7.893 10.239 687 HG23 VAL 86 2HG2 VAL 86 2.620 6.672 11.508 688 HA PRO 87 HA PRO 87 -1.053 11.023 9.583 689 HB2 PRO 87 2HB PRO 87 -0.824 13.685 10.141 690 HB3 PRO 87 1HB PRO 87 -2.042 12.653 10.896 691 HG2 PRO 87 2HG PRO 87 0.543 13.648 11.994 692 HG3 PRO 87 1HG PRO 87 -1.004 13.399 12.817 693 HD2 PRO 87 2HD PRO 87 1.127 11.681 12.964 694 HD3 PRO 87 1HD PRO 87 -0.563 11.188 13.217 695 H LEU 88 H LEU 88 0.024 10.938 7.766 696 HA LEU 88 HA LEU 88 2.776 11.776 7.607 697 HB2 LEU 88 2HB LEU 88 0.945 10.801 5.421 698 HB3 LEU 88 1HB LEU 88 2.676 11.011 5.287 699 HG LEU 88 HG LEU 88 1.245 8.980 6.997 700 HD11 LEU 88 1HD1 LEU 88 2.959 8.686 4.543 701 HD12 LEU 88 2HD1 LEU 88 1.210 8.474 4.632 702 HD13 LEU 88 3HD1 LEU 88 2.277 7.367 5.494 703 HD21 LEU 88 3HD2 LEU 88 3.277 9.736 8.118 704 HD22 LEU 88 1HD2 LEU 88 4.206 9.463 6.641 705 HD23 LEU 88 2HD2 LEU 88 3.477 8.101 7.493 706 H ASP 89 H ASP 89 -0.331 12.971 6.740 707 HA ASP 89 HA ASP 89 -1.164 14.901 6.035 708 HB2 ASP 89 2HB ASP 89 0.374 16.108 7.498 709 HB3 ASP 89 1HB ASP 89 1.647 16.008 6.288 710 H MET 90 H MET 90 1.812 14.127 4.523 711 HA MET 90 HA MET 90 1.087 15.090 1.895 712 HB2 MET 90 2HB MET 90 3.404 13.460 2.916 713 HB3 MET 90 1HB MET 90 3.254 14.009 1.262 714 HG2 MET 90 2HG MET 90 3.320 16.326 2.049 715 HG3 MET 90 1HG MET 90 3.489 15.739 3.706 716 HE1 MET 90 3HE MET 90 7.034 17.150 2.878 717 HE2 MET 90 1HE MET 90 5.665 17.193 3.992 718 HE3 MET 90 2HE MET 90 5.469 17.769 2.341 719 H GLU 91 H GLU 91 -0.822 13.342 2.677 720 HA GLU 91 HA GLU 91 -0.260 10.653 1.953 721 HB2 GLU 91 2HB GLU 91 -2.694 10.345 2.105 722 HB3 GLU 91 1HB GLU 91 -1.996 11.108 3.536 723 HG2 GLU 91 2HG GLU 91 -2.739 13.295 2.508 724 HG3 GLU 91 1HG GLU 91 -3.633 12.291 1.355 725 H ILE 92 H ILE 92 -1.516 13.410 0.263 726 HA ILE 92 HA ILE 92 -2.359 11.995 -2.063 727 HB ILE 92 HB ILE 92 -1.670 14.888 -1.521 728 HG12 ILE 92 2HG1 ILE 92 -3.743 14.030 -0.533 729 HG13 ILE 92 1HG1 ILE 92 -4.054 15.288 -1.726 730 HG21 ILE 92 1HG2 ILE 92 -2.672 13.752 -4.085 731 HG22 ILE 92 2HG2 ILE 92 -1.072 14.427 -3.773 732 HG23 ILE 92 3HG2 ILE 92 -2.498 15.468 -3.699 733 HD11 ILE 92 3HD1 ILE 92 -4.407 12.312 -2.082 734 HD12 ILE 92 1HD1 ILE 92 -4.658 13.524 -3.339 735 HD13 ILE 92 2HD1 ILE 92 -5.682 13.519 -1.905 736 HA PRO 93 HA PRO 93 2.224 12.969 -3.748 737 HB2 PRO 93 2HB PRO 93 3.247 12.549 -0.959 738 HB3 PRO 93 1HB PRO 93 4.055 13.350 -2.311 739 HG2 PRO 93 2HG PRO 93 2.894 14.882 -0.516 740 HG3 PRO 93 1HG PRO 93 2.557 15.203 -2.221 741 HD2 PRO 93 2HD PRO 93 0.825 13.869 -0.209 742 HD3 PRO 93 1HD PRO 93 0.394 14.984 -1.521 743 H LEU 94 H LEU 94 1.411 10.930 -0.964 744 HA LEU 94 HA LEU 94 2.729 8.541 -1.830 745 HB2 LEU 94 2HB LEU 94 0.663 9.182 0.227 746 HB3 LEU 94 1HB LEU 94 0.880 7.521 -0.251 747 HG LEU 94 HG LEU 94 2.013 8.060 1.840 748 HD11 LEU 94 1HD1 LEU 94 3.911 7.427 -0.377 749 HD12 LEU 94 2HD1 LEU 94 2.810 6.309 0.431 750 HD13 LEU 94 3HD1 LEU 94 4.137 7.055 1.339 751 HD21 LEU 94 3HD2 LEU 94 3.738 9.902 0.182 752 HD22 LEU 94 1HD2 LEU 94 4.034 9.451 1.862 753 HD23 LEU 94 2HD2 LEU 94 2.603 10.390 1.438 754 H VAL 95 H VAL 95 -0.504 9.797 -2.346 755 HA VAL 95 HA VAL 95 -1.124 7.373 -3.716 756 HB VAL 95 HB VAL 95 -2.942 8.413 -2.437 757 HG11 VAL 95 1HG1 VAL 95 -2.743 10.774 -3.997 758 HG12 VAL 95 2HG1 VAL 95 -3.000 10.334 -2.217 759 HG13 VAL 95 3HG1 VAL 95 -4.238 10.000 -3.410 760 HG21 VAL 95 3HG2 VAL 95 -4.635 8.544 -4.231 761 HG22 VAL 95 1HG2 VAL 95 -3.824 6.984 -4.027 762 HG23 VAL 95 2HG2 VAL 95 -3.321 8.101 -5.317 763 H SER 96 H SER 96 -0.328 10.435 -4.471 764 HA SER 96 HA SER 96 -0.901 10.572 -7.181 765 HB2 SER 96 2HB SER 96 -0.268 12.516 -5.829 766 HB3 SER 96 1HB SER 96 1.391 11.949 -5.776 767 HG SER 96 HG SER 96 0.963 11.962 -8.259 768 H ILE 97 H ILE 97 1.269 8.570 -5.719 769 HA ILE 97 HA ILE 97 3.330 8.413 -7.693 770 HB ILE 97 HB ILE 97 3.412 7.600 -5.242 771 HG12 ILE 97 2HG1 ILE 97 4.387 5.641 -7.306 772 HG13 ILE 97 1HG1 ILE 97 5.150 7.202 -7.019 773 HG21 ILE 97 1HG2 ILE 97 1.409 6.221 -5.244 774 HG22 ILE 97 2HG2 ILE 97 2.813 5.211 -4.901 775 HG23 ILE 97 3HG2 ILE 97 2.075 5.191 -6.502 776 HD11 ILE 97 3HD1 ILE 97 4.803 5.019 -5.004 777 HD12 ILE 97 1HD1 ILE 97 5.593 6.570 -4.722 778 HD13 ILE 97 2HD1 ILE 97 6.300 5.411 -5.860 779 H TRP 98 H TRP 98 0.149 7.336 -7.481 780 HA TRP 98 HA TRP 98 0.398 5.882 -9.992 781 HB2 TRP 98 2HB TRP 98 -0.038 4.408 -7.997 782 HB3 TRP 98 1HB TRP 98 -1.462 5.358 -7.645 783 HD1 TRP 98 HD1 TRP 98 -2.563 2.913 -7.686 784 HE1 TRP 98 HE1 TRP 98 -3.703 1.610 -9.632 785 HE3 TRP 98 HE3 TRP 98 -0.516 5.379 -11.694 786 HZ2 TRP 98 HZ2 TRP 98 -3.721 1.636 -12.424 787 HZ3 TRP 98 HZ3 TRP 98 -1.146 4.668 -13.951 788 HH2 TRP 98 HH2 TRP 98 -2.713 2.838 -14.311 789 H GLY 99 H GLY 99 0.117 8.616 -9.301 790 HA2 GLY 99 2HA GLY 99 -2.671 9.259 -9.923 791 HA3 GLY 99 1HA GLY 99 -1.519 10.360 -9.171 792 HA PRO 100 HA PRO 100 -1.835 11.097 -13.718 793 HB2 PRO 100 2HB PRO 100 -2.321 13.880 -13.103 794 HB3 PRO 100 1HB PRO 100 -3.388 12.727 -13.909 795 HG2 PRO 100 2HG PRO 100 -3.867 13.740 -11.422 796 HG3 PRO 100 1HG PRO 100 -4.436 12.149 -11.960 797 HD2 PRO 100 2HD PRO 100 -2.064 12.852 -10.291 798 HD3 PRO 100 1HD PRO 100 -3.237 11.528 -10.084 799 H ARG 101 H ARG 101 0.106 11.131 -14.492 800 HA ARG 101 HA ARG 101 1.965 13.189 -13.602 801 HB2 ARG 101 2HB ARG 101 3.721 11.754 -14.784 802 HB3 ARG 101 1HB ARG 101 3.027 11.075 -13.324 803 HG2 ARG 101 2HG ARG 101 1.579 9.641 -14.674 804 HG3 ARG 101 1HG ARG 101 2.246 10.366 -16.138 805 HD2 ARG 101 2HD ARG 101 4.426 9.505 -15.626 806 HD3 ARG 101 1HD ARG 101 3.853 8.880 -14.079 807 HE ARG 101 HE ARG 101 2.241 7.598 -15.680 808 HH11 ARG 101 1HH1 ARG 101 5.714 8.132 -16.114 809 HH12 ARG 101 2HH1 ARG 101 5.971 6.714 -17.007 810 HH21 ARG 101 1HH2 ARG 101 2.600 5.624 -16.880 811 HH22 ARG 101 2HH2 ARG 101 4.154 5.230 -17.431 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 -12.883 16.625 -4.181 2 H2 GLY 1 2H GLY 1 -14.510 17.000 -4.100 3 H3 GLY 1 3H GLY 1 -13.750 16.211 -2.794 4 HA2 GLY 1 1HA GLY 1 -14.093 18.551 -2.322 5 HA3 GLY 1 2HA GLY 1 -12.382 18.139 -2.409 6 HA PRO 2 HA PRO 2 -13.307 21.519 -5.452 7 HB2 PRO 2 2HB PRO 2 -11.725 23.400 -3.975 8 HB3 PRO 2 1HB PRO 2 -13.465 23.430 -4.241 9 HG2 PRO 2 2HG PRO 2 -12.258 23.001 -1.788 10 HG3 PRO 2 1HG PRO 2 -13.915 22.538 -2.202 11 HD2 PRO 2 2HD PRO 2 -11.444 20.863 -2.110 12 HD3 PRO 2 1HD PRO 2 -13.107 20.447 -1.648 13 H LEU 3 H LEU 3 -11.481 23.069 -6.432 14 HA LEU 3 HA LEU 3 -9.431 21.431 -7.448 15 HB2 LEU 3 2HB LEU 3 -9.577 24.453 -7.409 16 HB3 LEU 3 1HB LEU 3 -8.498 23.506 -8.405 17 HG LEU 3 HG LEU 3 -11.506 23.569 -8.637 18 HD11 LEU 3 1HD1 LEU 3 -9.362 24.713 -10.410 19 HD12 LEU 3 2HD1 LEU 3 -10.468 25.626 -9.386 20 HD13 LEU 3 3HD1 LEU 3 -11.092 24.704 -10.753 21 HD21 LEU 3 3HD2 LEU 3 -11.162 22.258 -10.684 22 HD22 LEU 3 1HD2 LEU 3 -10.617 21.381 -9.256 23 HD23 LEU 3 2HD2 LEU 3 -9.442 22.152 -10.322 24 H GLY 4 H GLY 4 -7.865 20.643 -6.264 25 HA2 GLY 4 2HA GLY 4 -5.736 21.530 -5.169 26 HA3 GLY 4 1HA GLY 4 -6.864 22.240 -4.015 27 H SER 5 H SER 5 -8.738 20.268 -3.756 28 HA SER 5 HA SER 5 -7.369 18.399 -2.105 29 HB2 SER 5 2HB SER 5 -10.204 18.354 -3.096 30 HB3 SER 5 1HB SER 5 -9.513 17.421 -1.759 31 HG SER 5 HG SER 5 -9.123 19.368 -0.666 32 H MET 6 H MET 6 -6.625 16.485 -2.642 33 HA MET 6 HA MET 6 -6.046 14.714 -3.729 34 HB2 MET 6 2HB MET 6 -8.480 14.418 -4.020 35 HB3 MET 6 1HB MET 6 -8.381 15.160 -5.593 36 HG2 MET 6 2HG MET 6 -8.481 12.747 -5.834 37 HG3 MET 6 1HG MET 6 -6.912 13.355 -6.379 38 HE1 MET 6 3HE MET 6 -7.698 11.053 -2.446 39 HE2 MET 6 1HE MET 6 -8.934 11.412 -3.649 40 HE3 MET 6 2HE MET 6 -8.242 12.712 -2.675 41 H ASP 7 H ASP 7 -5.900 17.613 -4.765 42 HA ASP 7 HA ASP 7 -4.189 17.185 -7.220 43 HB2 ASP 7 2HB ASP 7 -5.546 19.752 -6.363 44 HB3 ASP 7 1HB ASP 7 -4.662 19.443 -7.851 45 H ALA 8 H ALA 8 -3.689 17.067 -4.291 46 HA ALA 8 HA ALA 8 -1.840 19.236 -3.874 47 HB1 ALA 8 3HB ALA 8 -2.911 18.125 -1.960 48 HB2 ALA 8 1HB ALA 8 -1.156 18.019 -1.857 49 HB3 ALA 8 2HB ALA 8 -2.094 16.621 -2.376 50 H GLU 9 H GLU 9 -1.880 16.330 -5.448 51 HA GLU 9 HA GLU 9 0.666 15.339 -5.242 52 HB2 GLU 9 2HB GLU 9 0.124 14.396 -7.619 53 HB3 GLU 9 1HB GLU 9 -0.655 13.778 -6.185 54 HG2 GLU 9 2HG GLU 9 -2.429 14.048 -7.698 55 HG3 GLU 9 1HG GLU 9 -2.494 15.490 -6.708 56 H SER 10 H SER 10 -0.475 17.612 -7.616 57 HA SER 10 HA SER 10 1.875 17.818 -9.106 58 HB2 SER 10 2HB SER 10 -0.426 19.637 -8.544 59 HB3 SER 10 1HB SER 10 0.775 20.005 -9.805 60 HG SER 10 HG SER 10 -1.149 17.926 -9.607 61 H ILE 11 H ILE 11 0.831 19.368 -6.190 62 HA ILE 11 HA ILE 11 2.785 21.463 -6.247 63 HB ILE 11 HB ILE 11 0.609 20.668 -4.309 64 HG12 ILE 11 2HG1 ILE 11 -0.720 22.371 -5.121 65 HG13 ILE 11 1HG1 ILE 11 0.538 23.157 -6.120 66 HG21 ILE 11 1HG2 ILE 11 2.328 23.139 -4.260 67 HG22 ILE 11 2HG2 ILE 11 2.327 21.826 -3.084 68 HG23 ILE 11 3HG2 ILE 11 0.910 22.863 -3.248 69 HD11 ILE 11 3HD1 ILE 11 -1.294 22.153 -7.337 70 HD12 ILE 11 1HD1 ILE 11 -1.081 20.617 -6.491 71 HD13 ILE 11 2HD1 ILE 11 0.162 21.196 -7.597 72 H ARG 12 H ARG 12 2.115 18.514 -4.395 73 HA ARG 12 HA ARG 12 4.336 19.001 -2.557 74 HB2 ARG 12 2HB ARG 12 2.060 17.052 -2.451 75 HB3 ARG 12 1HB ARG 12 3.211 17.383 -1.167 76 HG2 ARG 12 2HG ARG 12 1.327 19.426 -2.312 77 HG3 ARG 12 1HG ARG 12 0.960 18.476 -0.884 78 HD2 ARG 12 2HD ARG 12 3.343 20.302 -1.183 79 HD3 ARG 12 1HD ARG 12 1.830 20.759 -0.410 80 HE ARG 12 HE ARG 12 2.513 18.560 0.940 81 HH11 ARG 12 1HH1 ARG 12 4.530 21.340 0.045 82 HH12 ARG 12 2HH1 ARG 12 5.318 21.440 1.548 83 HH21 ARG 12 1HH2 ARG 12 3.666 18.664 3.027 84 HH22 ARG 12 2HH2 ARG 12 4.825 19.882 3.262 85 H LEU 13 H LEU 13 4.161 17.679 -5.410 86 HA LEU 13 HA LEU 13 4.470 14.978 -5.455 87 HB2 LEU 13 2HB LEU 13 4.330 16.620 -7.369 88 HB3 LEU 13 1HB LEU 13 6.060 16.803 -7.217 89 HG LEU 13 HG LEU 13 4.847 14.087 -7.687 90 HD11 LEU 13 1HD1 LEU 13 5.582 16.144 -9.748 91 HD12 LEU 13 2HD1 LEU 13 3.960 15.565 -9.359 92 HD13 LEU 13 3HD1 LEU 13 5.142 14.460 -10.073 93 HD21 LEU 13 3HD2 LEU 13 7.010 13.631 -8.724 94 HD22 LEU 13 1HD2 LEU 13 7.212 14.209 -7.070 95 HD23 LEU 13 2HD2 LEU 13 7.519 15.296 -8.430 96 H ASN 14 H ASN 14 5.740 13.552 -4.770 97 HA ASN 14 HA ASN 14 8.605 13.753 -4.744 98 HB2 ASN 14 2HB ASN 14 7.948 14.456 -2.403 99 HB3 ASN 14 1HB ASN 14 6.983 12.997 -2.261 100 HD21 ASN 14 1HD2 ASN 14 9.199 13.959 -0.646 101 HD22 ASN 14 2HD2 ASN 14 10.407 12.730 -0.658 102 H ASN 15 H ASN 15 9.301 11.717 -5.413 103 HA ASN 15 HA ASN 15 7.119 9.757 -5.655 104 HB2 ASN 15 2HB ASN 15 7.611 10.783 -7.823 105 HB3 ASN 15 1HB ASN 15 9.292 10.297 -7.679 106 HD21 ASN 15 1HD2 ASN 15 9.120 9.163 -9.625 107 HD22 ASN 15 2HD2 ASN 15 8.333 7.632 -9.732 108 H GLU 16 H GLU 16 10.684 9.878 -5.806 109 HA GLU 16 HA GLU 16 10.866 7.048 -5.495 110 HB2 GLU 16 2HB GLU 16 13.033 9.124 -5.276 111 HB3 GLU 16 1HB GLU 16 13.256 7.396 -5.483 112 HG2 GLU 16 2HG GLU 16 12.188 7.479 -7.647 113 HG3 GLU 16 1HG GLU 16 11.884 9.206 -7.448 114 H ASN 17 H ASN 17 11.609 9.772 -3.391 115 HA ASN 17 HA ASN 17 12.538 8.231 -1.181 116 HB2 ASN 17 2HB ASN 17 11.279 10.979 -1.167 117 HB3 ASN 17 1HB ASN 17 12.159 10.251 0.162 118 HD21 ASN 17 1HD2 ASN 17 14.230 9.103 -1.607 119 HD22 ASN 17 2HD2 ASN 17 15.183 10.461 -2.064 120 H LEU 18 H LEU 18 9.502 9.432 -2.209 121 HA LEU 18 HA LEU 18 8.035 8.812 0.135 122 HB2 LEU 18 2HB LEU 18 7.535 10.547 -1.612 123 HB3 LEU 18 1HB LEU 18 7.057 9.249 -2.674 124 HG LEU 18 HG LEU 18 5.679 9.615 -0.033 125 HD11 LEU 18 1HD1 LEU 18 5.124 11.021 -2.639 126 HD12 LEU 18 2HD1 LEU 18 5.703 11.768 -1.149 127 HD13 LEU 18 3HD1 LEU 18 4.084 11.072 -1.212 128 HD21 LEU 18 3HD2 LEU 18 3.877 8.547 -1.175 129 HD22 LEU 18 1HD2 LEU 18 5.350 7.610 -1.430 130 HD23 LEU 18 2HD2 LEU 18 4.724 8.673 -2.720 131 H TRP 19 H TRP 19 8.508 7.139 -2.980 132 HA TRP 19 HA TRP 19 6.936 4.893 -2.425 133 HB2 TRP 19 2HB TRP 19 7.800 5.246 -4.689 134 HB3 TRP 19 1HB TRP 19 9.453 5.151 -4.107 135 HD1 TRP 19 HD1 TRP 19 10.563 2.805 -4.010 136 HE1 TRP 19 HE1 TRP 19 9.818 0.421 -4.559 137 HE3 TRP 19 HE3 TRP 19 5.557 3.650 -4.641 138 HZ2 TRP 19 HZ2 TRP 19 7.405 -0.941 -5.188 139 HZ3 TRP 19 HZ3 TRP 19 4.104 1.750 -5.210 140 HH2 TRP 19 HH2 TRP 19 5.010 -0.492 -5.478 141 H ALA 20 H ALA 20 10.384 5.458 -1.894 142 HA ALA 20 HA ALA 20 10.983 3.006 -0.736 143 HB1 ALA 20 3HB ALA 20 12.687 4.544 -1.504 144 HB2 ALA 20 1HB ALA 20 12.948 4.077 0.176 145 HB3 ALA 20 2HB ALA 20 12.275 5.669 -0.199 146 H TRP 21 H TRP 21 10.080 6.074 0.868 147 HA TRP 21 HA TRP 21 10.101 5.066 3.452 148 HB2 TRP 21 2HB TRP 21 9.851 7.387 3.570 149 HB3 TRP 21 1HB TRP 21 8.757 7.442 2.189 150 HD1 TRP 21 HD1 TRP 21 6.413 8.195 2.889 151 HE1 TRP 21 HE1 TRP 21 4.853 7.774 4.892 152 HE3 TRP 21 HE3 TRP 21 9.558 5.458 5.852 153 HZ2 TRP 21 HZ2 TRP 21 4.930 6.387 7.363 154 HZ3 TRP 21 HZ3 TRP 21 8.709 4.618 7.998 155 HH2 TRP 21 HH2 TRP 21 6.388 5.072 8.681 156 H LEU 22 H LEU 22 7.379 5.115 1.166 157 HA LEU 22 HA LEU 22 5.461 4.044 2.941 158 HB2 LEU 22 2HB LEU 22 4.931 5.147 0.781 159 HB3 LEU 22 1HB LEU 22 5.625 3.789 -0.074 160 HG LEU 22 HG LEU 22 3.840 2.336 0.883 161 HD11 LEU 22 1HD1 LEU 22 2.710 4.944 1.873 162 HD12 LEU 22 2HD1 LEU 22 3.307 3.612 2.866 163 HD13 LEU 22 3HD1 LEU 22 1.871 3.392 1.869 164 HD21 LEU 22 3HD2 LEU 22 2.053 3.190 -0.566 165 HD22 LEU 22 1HD2 LEU 22 3.625 3.268 -1.362 166 HD23 LEU 22 2HD2 LEU 22 2.901 4.731 -0.695 167 H VAL 23 H VAL 23 7.661 2.465 0.674 168 HA VAL 23 HA VAL 23 6.788 -0.145 1.125 169 HB VAL 23 HB VAL 23 9.479 0.919 0.204 170 HG11 VAL 23 1HG1 VAL 23 8.557 -1.957 0.224 171 HG12 VAL 23 2HG1 VAL 23 9.850 -1.253 1.215 172 HG13 VAL 23 3HG1 VAL 23 10.027 -1.328 -0.535 173 HG21 VAL 23 3HG2 VAL 23 8.735 0.119 -1.982 174 HG22 VAL 23 1HG2 VAL 23 7.615 1.303 -1.310 175 HG23 VAL 23 2HG2 VAL 23 7.215 -0.414 -1.268 176 H ARG 24 H ARG 24 9.341 1.727 2.722 177 HA ARG 24 HA ARG 24 10.174 -0.312 4.524 178 HB2 ARG 24 2HB ARG 24 10.237 2.699 4.893 179 HB3 ARG 24 1HB ARG 24 11.104 1.540 5.885 180 HG2 ARG 24 2HG ARG 24 12.514 0.927 4.062 181 HG3 ARG 24 1HG ARG 24 11.538 1.868 2.931 182 HD2 ARG 24 2HD ARG 24 12.136 3.918 4.191 183 HD3 ARG 24 1HD ARG 24 13.207 2.948 5.204 184 HE ARG 24 HE ARG 24 14.274 2.335 2.986 185 HH11 ARG 24 1HH1 ARG 24 12.967 5.562 3.734 186 HH12 ARG 24 2HH1 ARG 24 13.904 6.354 2.555 187 HH21 ARG 24 1HH2 ARG 24 15.575 3.461 1.389 188 HH22 ARG 24 2HH2 ARG 24 15.395 5.142 1.198 189 H LEU 25 H LEU 25 7.859 2.307 4.858 190 HA LEU 25 HA LEU 25 6.995 1.938 7.480 191 HB2 LEU 25 2HB LEU 25 6.367 3.886 6.286 192 HB3 LEU 25 1HB LEU 25 5.647 2.952 5.000 193 HG LEU 25 HG LEU 25 3.894 2.264 6.700 194 HD11 LEU 25 1HD1 LEU 25 4.673 4.370 8.447 195 HD12 LEU 25 2HD1 LEU 25 5.085 2.642 8.601 196 HD13 LEU 25 3HD1 LEU 25 3.394 3.125 8.563 197 HD21 LEU 25 3HD2 LEU 25 2.597 4.346 6.500 198 HD22 LEU 25 1HD2 LEU 25 3.329 3.838 4.977 199 HD23 LEU 25 2HD2 LEU 25 4.053 5.143 5.908 200 H LEU 26 H LEU 26 5.682 0.594 4.531 201 HA LEU 26 HA LEU 26 3.718 -0.929 5.880 202 HB2 LEU 26 2HB LEU 26 4.650 -0.932 3.085 203 HB3 LEU 26 1HB LEU 26 3.280 -1.848 3.716 204 HG LEU 26 HG LEU 26 3.571 1.130 3.469 205 HD11 LEU 26 1HD1 LEU 26 1.609 -0.875 3.145 206 HD12 LEU 26 2HD1 LEU 26 2.513 -0.171 1.741 207 HD13 LEU 26 3HD1 LEU 26 1.276 0.789 2.677 208 HD21 LEU 26 3HD2 LEU 26 1.547 1.405 4.832 209 HD22 LEU 26 1HD2 LEU 26 2.896 0.815 5.796 210 HD23 LEU 26 2HD2 LEU 26 1.623 -0.293 5.290 211 H SER 27 H SER 27 7.032 -1.506 5.037 212 HA SER 27 HA SER 27 6.780 -4.319 5.348 213 HB2 SER 27 2HB SER 27 8.594 -3.318 4.001 214 HB3 SER 27 1HB SER 27 9.218 -2.477 5.405 215 HG SER 27 HG SER 27 9.288 -5.227 4.747 216 H LYS 28 H LYS 28 6.865 -1.565 7.373 217 HA LYS 28 HA LYS 28 7.641 -3.012 9.734 218 HB2 LYS 28 2HB LYS 28 6.447 -0.255 9.619 219 HB3 LYS 28 1HB LYS 28 7.334 -0.980 10.952 220 HG2 LYS 28 2HG LYS 28 9.218 -1.160 9.077 221 HG3 LYS 28 1HG LYS 28 8.222 0.022 8.380 222 HD2 LYS 28 2HD LYS 28 9.128 0.367 11.199 223 HD3 LYS 28 1HD LYS 28 10.080 0.979 9.848 224 HE2 LYS 28 2HE LYS 28 8.179 2.374 9.154 225 HE3 LYS 28 1HE LYS 28 7.217 1.738 10.489 226 HZ1 LYS 28 3HZ LYS 28 8.156 3.912 10.992 227 HZ2 LYS 28 1HZ LYS 28 9.716 3.342 10.775 228 HZ3 LYS 28 2HZ LYS 28 8.763 2.759 12.036 229 H ASN 29 H ASN 29 4.882 -2.473 7.853 230 HA ASN 29 HA ASN 29 3.035 -3.216 9.994 231 HB2 ASN 29 2HB ASN 29 2.725 -1.057 7.974 232 HB3 ASN 29 1HB ASN 29 1.408 -1.540 8.840 233 HD21 ASN 29 1HD2 ASN 29 4.233 0.290 8.986 234 HD22 ASN 29 2HD2 ASN 29 4.021 0.956 10.571 235 HA PRO 30 HA PRO 30 2.360 -5.271 5.717 236 HB2 PRO 30 2HB PRO 30 3.218 -7.831 6.823 237 HB3 PRO 30 1HB PRO 30 3.840 -7.000 5.397 238 HG2 PRO 30 2HG PRO 30 5.303 -7.298 7.668 239 HG3 PRO 30 1HG PRO 30 5.484 -5.914 6.581 240 HD2 PRO 30 2HD PRO 30 3.980 -6.082 9.178 241 HD3 PRO 30 1HD PRO 30 5.018 -4.788 8.559 242 H GLU 31 H GLU 31 1.947 -5.987 8.971 243 HA GLU 31 HA GLU 31 -0.187 -7.819 8.867 244 HB2 GLU 31 2HB GLU 31 0.485 -5.869 11.048 245 HB3 GLU 31 1HB GLU 31 -0.472 -7.331 11.201 246 HG2 GLU 31 2HG GLU 31 1.618 -8.583 10.471 247 HG3 GLU 31 1HG GLU 31 2.477 -7.067 10.719 248 H TRP 32 H TRP 32 0.023 -4.210 9.011 249 HA TRP 32 HA TRP 32 -2.822 -4.029 9.261 250 HB2 TRP 32 2HB TRP 32 -1.575 -2.152 10.115 251 HB3 TRP 32 1HB TRP 32 -0.680 -1.987 8.603 252 HD1 TRP 32 HD1 TRP 32 -4.104 -1.187 10.137 253 HE1 TRP 32 HE1 TRP 32 -5.350 0.411 8.577 254 HE3 TRP 32 HE3 TRP 32 -0.815 -1.207 6.231 255 HZ2 TRP 32 HZ2 TRP 32 -4.921 1.588 5.908 256 HZ3 TRP 32 HZ3 TRP 32 -1.279 0.072 4.310 257 HH2 TRP 32 HH2 TRP 32 -3.299 1.469 4.126 258 H LEU 33 H LEU 33 -0.462 -3.938 6.738 259 HA LEU 33 HA LEU 33 -2.108 -2.999 4.696 260 HB2 LEU 33 2HB LEU 33 0.447 -3.172 4.887 261 HB3 LEU 33 1HB LEU 33 0.267 -4.801 4.327 262 HG LEU 33 HG LEU 33 0.969 -3.197 2.570 263 HD11 LEU 33 1HD1 LEU 33 -1.731 -4.353 2.093 264 HD12 LEU 33 2HD1 LEU 33 -0.198 -5.227 1.912 265 HD13 LEU 33 3HD1 LEU 33 -0.586 -3.843 0.861 266 HD21 LEU 33 3HD2 LEU 33 -0.574 -1.643 1.676 267 HD22 LEU 33 1HD2 LEU 33 -0.278 -1.303 3.377 268 HD23 LEU 33 2HD2 LEU 33 -1.786 -2.086 2.878 269 H SER 34 H SER 34 -1.333 -6.253 5.772 270 HA SER 34 HA SER 34 -2.710 -7.776 3.916 271 HB2 SER 34 2HB SER 34 -2.497 -8.287 6.904 272 HB3 SER 34 1HB SER 34 -2.998 -9.485 5.714 273 HG SER 34 HG SER 34 -0.464 -8.183 5.855 274 H ALA 35 H ALA 35 -4.037 -6.396 6.899 275 HA ALA 35 HA ALA 35 -6.677 -7.138 6.722 276 HB1 ALA 35 3HB ALA 35 -5.662 -6.067 8.689 277 HB2 ALA 35 1HB ALA 35 -7.168 -5.282 8.211 278 HB3 ALA 35 2HB ALA 35 -5.622 -4.534 7.817 279 H LYS 36 H LYS 36 -5.183 -4.216 5.361 280 HA LYS 36 HA LYS 36 -7.615 -3.303 4.132 281 HB2 LYS 36 2HB LYS 36 -4.729 -2.475 3.770 282 HB3 LYS 36 1HB LYS 36 -6.039 -1.789 2.807 283 HG2 LYS 36 2HG LYS 36 -5.692 -1.761 5.743 284 HG3 LYS 36 1HG LYS 36 -5.587 -0.414 4.607 285 HD2 LYS 36 2HD LYS 36 -8.015 -0.899 4.009 286 HD3 LYS 36 1HD LYS 36 -8.022 -1.992 5.402 287 HE2 LYS 36 2HE LYS 36 -7.248 -0.145 6.807 288 HE3 LYS 36 1HE LYS 36 -7.321 0.775 5.287 289 HZ1 LYS 36 3HZ LYS 36 -9.232 0.929 6.987 290 HZ2 LYS 36 1HZ LYS 36 -9.751 -0.515 6.331 291 HZ3 LYS 36 2HZ LYS 36 -9.642 0.896 5.360 292 H LEU 37 H LEU 37 -4.971 -5.359 3.009 293 HA LEU 37 HA LEU 37 -5.805 -5.580 0.346 294 HB2 LEU 37 2HB LEU 37 -4.540 -7.710 2.066 295 HB3 LEU 37 1HB LEU 37 -4.743 -7.827 0.335 296 HG LEU 37 HG LEU 37 -2.977 -5.901 1.820 297 HD11 LEU 37 1HD1 LEU 37 -2.353 -8.259 0.053 298 HD12 LEU 37 2HD1 LEU 37 -2.119 -8.163 1.800 299 HD13 LEU 37 3HD1 LEU 37 -1.166 -7.147 0.726 300 HD21 LEU 37 3HD2 LEU 37 -3.856 -4.830 -0.179 301 HD22 LEU 37 1HD2 LEU 37 -3.409 -6.232 -1.151 302 HD23 LEU 37 2HD2 LEU 37 -2.158 -5.243 -0.406 303 H ARG 38 H ARG 38 -6.951 -7.142 3.240 304 HA ARG 38 HA ARG 38 -8.543 -9.162 2.104 305 HB2 ARG 38 2HB ARG 38 -9.269 -7.625 4.582 306 HB3 ARG 38 1HB ARG 38 -9.734 -9.264 4.165 307 HG2 ARG 38 2HG ARG 38 -7.187 -9.810 4.325 308 HG3 ARG 38 1HG ARG 38 -7.061 -8.236 4.964 309 HD2 ARG 38 2HD ARG 38 -8.878 -10.308 6.058 310 HD3 ARG 38 1HD ARG 38 -7.284 -9.967 6.728 311 HE ARG 38 HE ARG 38 -9.435 -7.930 6.626 312 HH11 ARG 38 1HH1 ARG 38 -6.887 -9.554 8.475 313 HH12 ARG 38 2HH1 ARG 38 -7.240 -8.776 9.946 314 HH21 ARG 38 1HH2 ARG 38 -9.926 -6.852 8.646 315 HH22 ARG 38 2HH2 ARG 38 -9.023 -7.197 10.040 316 H SER 39 H SER 39 -9.150 -5.735 2.718 317 HA SER 39 HA SER 39 -11.859 -5.702 2.207 318 HB2 SER 39 2HB SER 39 -9.582 -3.984 2.619 319 HB3 SER 39 1HB SER 39 -11.100 -3.193 2.432 320 HG SER 39 HG SER 39 -11.818 -4.459 4.251 321 H PHE 40 H PHE 40 -8.954 -5.298 0.304 322 HA PHE 40 HA PHE 40 -10.431 -4.085 -1.960 323 HB2 PHE 40 2HB PHE 40 -7.515 -4.202 -1.318 324 HB3 PHE 40 1HB PHE 40 -8.166 -3.555 -2.826 325 HD1 PHE 40 HD1 PHE 40 -10.164 -1.919 -2.410 326 HD2 PHE 40 HD2 PHE 40 -7.081 -2.658 0.349 327 HE1 PHE 40 HE1 PHE 40 -10.642 0.272 -1.320 328 HE2 PHE 40 HE2 PHE 40 -7.518 -0.502 1.462 329 HZ PHE 40 HZ PHE 40 -9.297 0.972 0.620 330 H LEU 41 H LEU 41 -8.197 -6.828 -1.321 331 HA LEU 41 HA LEU 41 -8.218 -7.636 -4.044 332 HB2 LEU 41 2HB LEU 41 -6.922 -8.553 -1.534 333 HB3 LEU 41 1HB LEU 41 -6.919 -9.550 -2.961 334 HG LEU 41 HG LEU 41 -5.751 -7.856 -4.168 335 HD11 LEU 41 1HD1 LEU 41 -6.555 -5.937 -3.086 336 HD12 LEU 41 2HD1 LEU 41 -4.775 -5.949 -3.035 337 HD13 LEU 41 3HD1 LEU 41 -5.731 -6.385 -1.592 338 HD21 LEU 41 3HD2 LEU 41 -4.481 -9.579 -3.096 339 HD22 LEU 41 1HD2 LEU 41 -4.500 -8.697 -1.568 340 HD23 LEU 41 2HD2 LEU 41 -3.612 -8.052 -2.939 341 HA PRO 42 HA PRO 42 -11.115 -10.995 -3.243 342 HB2 PRO 42 2HB PRO 42 -11.541 -11.416 -5.975 343 HB3 PRO 42 1HB PRO 42 -12.548 -10.401 -4.946 344 HG2 PRO 42 2HG PRO 42 -10.815 -9.578 -7.081 345 HG3 PRO 42 1HG PRO 42 -11.826 -8.560 -6.048 346 HD2 PRO 42 2HD PRO 42 -8.929 -9.074 -5.912 347 HD3 PRO 42 1HD PRO 42 -9.877 -7.755 -5.202 348 H THR 43 H THR 43 -8.153 -10.548 -4.500 349 HA THR 43 HA THR 43 -7.523 -13.268 -5.338 350 HB THR 43 HB THR 43 -5.440 -12.025 -6.103 351 HG1 THR 43 HG1 THR 43 -5.989 -9.674 -6.309 352 HG21 THR 43 3HG2 THR 43 -6.660 -11.047 -8.025 353 HG22 THR 43 1HG2 THR 43 -8.131 -11.190 -7.048 354 HG23 THR 43 2HG2 THR 43 -7.276 -12.650 -7.563 355 H MET 44 H MET 44 -7.869 -11.899 -2.592 356 HA MET 44 HA MET 44 -5.486 -11.736 -1.275 357 HB2 MET 44 2HB MET 44 -7.374 -10.722 -0.627 358 HB3 MET 44 1HB MET 44 -8.342 -12.208 -0.436 359 HG2 MET 44 2HG MET 44 -6.143 -10.994 1.083 360 HG3 MET 44 1HG MET 44 -7.811 -11.024 1.622 361 HE1 MET 44 3HE MET 44 -6.554 -13.355 4.411 362 HE2 MET 44 1HE MET 44 -7.697 -12.088 3.963 363 HE3 MET 44 2HE MET 44 -5.960 -11.787 3.873 364 H ASP 45 H ASP 45 -4.285 -13.431 -1.899 365 HA ASP 45 HA ASP 45 -4.585 -15.844 -0.246 366 HB2 ASP 45 2HB ASP 45 -3.254 -15.525 -2.976 367 HB3 ASP 45 1HB ASP 45 -3.023 -16.924 -1.944 368 H LEU 46 H LEU 46 -3.841 -13.878 0.939 369 HA LEU 46 HA LEU 46 -1.118 -13.087 0.371 370 HB2 LEU 46 2HB LEU 46 -1.534 -11.157 1.786 371 HB3 LEU 46 1HB LEU 46 -2.899 -11.415 0.716 372 HG LEU 46 HG LEU 46 -4.178 -12.388 2.610 373 HD11 LEU 46 1HD1 LEU 46 -1.942 -11.274 4.303 374 HD12 LEU 46 2HD1 LEU 46 -2.358 -12.979 4.131 375 HD13 LEU 46 3HD1 LEU 46 -3.496 -11.863 4.890 376 HD21 LEU 46 3HD2 LEU 46 -3.196 -9.576 2.917 377 HD22 LEU 46 1HD2 LEU 46 -4.699 -10.211 3.568 378 HD23 LEU 46 2HD2 LEU 46 -4.466 -10.102 1.820 379 H ASP 47 H ASP 47 -2.858 -15.131 2.354 380 HA ASP 47 HA ASP 47 -1.156 -15.239 4.614 381 HB2 ASP 47 2HB ASP 47 -3.493 -16.018 4.687 382 HB3 ASP 47 1HB ASP 47 -3.102 -17.293 3.541 383 H CYS 48 H CYS 48 -0.985 -16.368 1.562 384 HA CYS 48 HA CYS 48 1.153 -18.284 2.174 385 HB2 CYS 48 2HB CYS 48 -0.649 -19.105 0.659 386 HB3 CYS 48 1HB CYS 48 -0.283 -17.792 -0.454 387 HG CYS 48 HG CYS 48 0.779 -20.688 -0.782 388 H SER 49 H SER 49 3.025 -17.236 2.337 389 HA SER 49 HA SER 49 3.732 -15.435 0.174 390 HB2 SER 49 2HB SER 49 4.068 -14.816 3.120 391 HB3 SER 49 1HB SER 49 4.842 -13.902 1.821 392 HG SER 49 HG SER 49 2.063 -14.154 2.388 393 H TYR 50 H TYR 50 5.363 -16.107 -0.802 394 HA TYR 50 HA TYR 50 7.016 -18.208 0.090 395 HB2 TYR 50 2HB TYR 50 8.333 -17.370 -2.038 396 HB3 TYR 50 1HB TYR 50 6.879 -18.384 -2.191 397 HD1 TYR 50 HD1 TYR 50 7.796 -14.729 -1.875 398 HD2 TYR 50 HD2 TYR 50 5.385 -17.649 -3.820 399 HE1 TYR 50 HE1 TYR 50 6.836 -12.976 -3.306 400 HE2 TYR 50 HE2 TYR 50 4.412 -15.896 -5.246 401 HH TYR 50 HH TYR 50 4.079 -13.507 -5.237 402 H GLU 51 H GLU 51 7.265 -14.975 0.589 403 HA GLU 51 HA GLU 51 9.982 -15.212 1.444 404 HB2 GLU 51 2HB GLU 51 8.647 -13.085 -0.208 405 HB3 GLU 51 1HB GLU 51 10.080 -12.899 0.731 406 HG2 GLU 51 2HG GLU 51 11.325 -14.449 -0.595 407 HG3 GLU 51 1HG GLU 51 9.867 -14.967 -1.438 408 HA PRO 52 HA PRO 52 8.034 -13.031 4.868 409 HB2 PRO 52 2HB PRO 52 10.356 -11.391 5.417 410 HB3 PRO 52 1HB PRO 52 9.815 -12.829 6.281 411 HG2 PRO 52 2HG PRO 52 12.078 -12.645 4.784 412 HG3 PRO 52 1HG PRO 52 11.249 -14.172 5.157 413 HD2 PRO 52 2HD PRO 52 11.225 -12.531 2.669 414 HD3 PRO 52 1HD PRO 52 11.172 -14.299 2.855 415 H SER 53 H SER 53 8.938 -10.393 5.648 416 HA SER 53 HA SER 53 7.104 -8.828 4.102 417 HB2 SER 53 2HB SER 53 8.933 -8.044 6.371 418 HB3 SER 53 1HB SER 53 7.531 -7.135 5.801 419 HG SER 53 HG SER 53 7.526 -9.004 7.626 420 H ASN 54 H ASN 54 9.295 -9.614 2.438 421 HA ASN 54 HA ASN 54 11.387 -7.762 2.212 422 HB2 ASN 54 2HB ASN 54 10.151 -9.847 0.531 423 HB3 ASN 54 1HB ASN 54 11.328 -8.799 -0.206 424 HD21 ASN 54 1HD2 ASN 54 11.688 -11.524 -0.072 425 HD22 ASN 54 2HD2 ASN 54 12.916 -11.900 1.085 426 HA PRO 55 HA PRO 55 9.805 -4.166 0.165 427 HB2 PRO 55 2HB PRO 55 11.593 -4.055 -1.994 428 HB3 PRO 55 1HB PRO 55 11.835 -3.320 -0.408 429 HG2 PRO 55 2HG PRO 55 12.831 -5.933 -1.458 430 HG3 PRO 55 1HG PRO 55 13.650 -4.763 -0.408 431 HD2 PRO 55 2HD PRO 55 12.650 -6.993 0.599 432 HD3 PRO 55 1HD PRO 55 12.467 -5.462 1.484 433 H GLU 56 H GLU 56 10.695 -6.781 -2.174 434 HA GLU 56 HA GLU 56 8.925 -5.850 -4.102 435 HB2 GLU 56 2HB GLU 56 10.369 -8.372 -3.719 436 HB3 GLU 56 1HB GLU 56 9.398 -8.017 -5.156 437 HG2 GLU 56 2HG GLU 56 11.852 -6.608 -4.166 438 HG3 GLU 56 1HG GLU 56 11.505 -7.506 -5.647 439 H VAL 57 H VAL 57 8.646 -7.899 -1.380 440 HA VAL 57 HA VAL 57 6.298 -9.261 -2.224 441 HB VAL 57 HB VAL 57 7.546 -8.945 0.531 442 HG11 VAL 57 1HG1 VAL 57 5.389 -10.855 -0.377 443 HG12 VAL 57 2HG1 VAL 57 5.155 -9.475 0.712 444 HG13 VAL 57 3HG1 VAL 57 6.179 -10.834 1.203 445 HG21 VAL 57 3HG2 VAL 57 8.376 -11.152 0.202 446 HG22 VAL 57 1HG2 VAL 57 8.914 -10.118 -1.119 447 HG23 VAL 57 2HG2 VAL 57 7.593 -11.265 -1.378 448 H ILE 58 H ILE 58 7.130 -6.500 -0.280 449 HA ILE 58 HA ILE 58 4.542 -5.637 0.383 450 HB ILE 58 HB ILE 58 7.076 -4.043 -0.110 451 HG12 ILE 58 2HG1 ILE 58 7.367 -5.621 1.695 452 HG13 ILE 58 1HG1 ILE 58 7.233 -3.987 2.337 453 HG21 ILE 58 1HG2 ILE 58 5.204 -2.544 -0.293 454 HG22 ILE 58 2HG2 ILE 58 6.056 -2.246 1.225 455 HG23 ILE 58 3HG2 ILE 58 4.534 -3.141 1.226 456 HD11 ILE 58 3HD1 ILE 58 4.934 -4.419 3.005 457 HD12 ILE 58 1HD1 ILE 58 6.040 -5.588 3.724 458 HD13 ILE 58 2HD1 ILE 58 5.040 -6.055 2.352 459 H HIS 59 H HIS 59 6.670 -4.925 -2.324 460 HA HIS 59 HA HIS 59 5.084 -3.272 -3.905 461 HB2 HIS 59 2HB HIS 59 7.487 -3.791 -4.324 462 HB3 HIS 59 1HB HIS 59 7.055 -5.421 -4.760 463 HD1 HIS 59 HD1 HIS 59 8.300 -5.027 -6.990 464 HD2 HIS 59 HD2 HIS 59 4.981 -2.590 -6.437 465 HE1 HIS 59 HE1 HIS 59 7.817 -4.020 -9.237 466 HE2 HIS 59 HE2 HIS 59 6.131 -2.246 -8.710 467 H ARG 60 H ARG 60 5.168 -6.787 -3.826 468 HA ARG 60 HA ARG 60 3.297 -7.575 -5.684 469 HB2 ARG 60 2HB ARG 60 4.686 -9.085 -4.467 470 HB3 ARG 60 1HB ARG 60 4.052 -8.524 -2.944 471 HG2 ARG 60 2HG ARG 60 1.874 -9.545 -3.569 472 HG3 ARG 60 1HG ARG 60 2.699 -10.269 -4.968 473 HD2 ARG 60 2HD ARG 60 4.338 -11.284 -3.437 474 HD3 ARG 60 1HD ARG 60 3.475 -10.597 -2.069 475 HE ARG 60 HE ARG 60 2.156 -12.477 -3.883 476 HH11 ARG 60 1HH1 ARG 60 3.109 -11.604 -0.553 477 HH12 ARG 60 2HH1 ARG 60 2.500 -13.015 0.141 478 HH21 ARG 60 1HH2 ARG 60 1.334 -14.439 -2.921 479 HH22 ARG 60 2HH2 ARG 60 1.445 -14.695 -1.263 480 H GLN 61 H GLN 61 2.809 -6.677 -2.293 481 HA GLN 61 HA GLN 61 0.040 -7.156 -2.112 482 HB2 GLN 61 2HB GLN 61 1.783 -5.284 -0.537 483 HB3 GLN 61 1HB GLN 61 0.186 -5.843 -0.064 484 HG2 GLN 61 2HG GLN 61 1.002 -8.083 -0.065 485 HG3 GLN 61 1HG GLN 61 2.621 -7.544 -0.452 486 HE21 GLN 61 1HE2 GLN 61 1.787 -8.971 1.911 487 HE22 GLN 61 2HE2 GLN 61 2.175 -7.990 3.268 488 H LEU 62 H LEU 62 1.914 -4.297 -2.600 489 HA LEU 62 HA LEU 62 -0.406 -2.611 -2.631 490 HB2 LEU 62 2HB LEU 62 2.490 -1.973 -3.158 491 HB3 LEU 62 1HB LEU 62 1.242 -0.781 -3.416 492 HG LEU 62 HG LEU 62 2.274 -0.357 -1.277 493 HD11 LEU 62 1HD1 LEU 62 -0.130 0.017 -1.354 494 HD12 LEU 62 2HD1 LEU 62 0.436 -0.434 0.244 495 HD13 LEU 62 3HD1 LEU 62 -0.392 -1.623 -0.756 496 HD21 LEU 62 3HD2 LEU 62 1.529 -3.147 -0.475 497 HD22 LEU 62 1HD2 LEU 62 2.275 -1.936 0.562 498 HD23 LEU 62 2HD2 LEU 62 3.162 -2.586 -0.822 499 H ASN 63 H ASN 63 1.497 -4.148 -5.085 500 HA ASN 63 HA ASN 63 0.722 -2.988 -7.424 501 HB2 ASN 63 2HB ASN 63 2.298 -4.856 -7.126 502 HB3 ASN 63 1HB ASN 63 0.939 -5.861 -6.684 503 HD21 ASN 63 1HD2 ASN 63 2.191 -4.028 -9.379 504 HD22 ASN 63 2HD2 ASN 63 1.308 -4.938 -10.535 505 H ARG 64 H ARG 64 -0.778 -5.542 -5.666 506 HA ARG 64 HA ARG 64 -2.979 -6.136 -7.186 507 HB2 ARG 64 2HB ARG 64 -2.555 -6.265 -4.235 508 HB3 ARG 64 1HB ARG 64 -4.020 -6.858 -4.995 509 HG2 ARG 64 2HG ARG 64 -1.274 -7.821 -5.733 510 HG3 ARG 64 1HG ARG 64 -2.283 -8.594 -4.506 511 HD2 ARG 64 2HD ARG 64 -4.031 -8.818 -6.207 512 HD3 ARG 64 1HD ARG 64 -2.899 -8.231 -7.430 513 HE ARG 64 HE ARG 64 -1.766 -10.329 -5.972 514 HH11 ARG 64 1HH1 ARG 64 -4.210 -9.788 -8.470 515 HH12 ARG 64 2HH1 ARG 64 -4.064 -11.331 -9.166 516 HH21 ARG 64 1HH2 ARG 64 -1.549 -12.464 -6.920 517 HH22 ARG 64 2HH2 ARG 64 -2.511 -12.901 -8.250 518 H LEU 65 H LEU 65 -2.592 -3.529 -4.895 519 HA LEU 65 HA LEU 65 -5.363 -2.842 -4.735 520 HB2 LEU 65 2HB LEU 65 -2.911 -1.248 -4.102 521 HB3 LEU 65 1HB LEU 65 -4.551 -0.771 -3.693 522 HG LEU 65 HG LEU 65 -3.098 -3.190 -2.616 523 HD11 LEU 65 1HD1 LEU 65 -3.152 -1.943 -0.541 524 HD12 LEU 65 2HD1 LEU 65 -3.933 -0.609 -1.397 525 HD13 LEU 65 3HD1 LEU 65 -2.268 -1.051 -1.791 526 HD21 LEU 65 3HD2 LEU 65 -5.009 -3.326 -1.103 527 HD22 LEU 65 1HD2 LEU 65 -5.489 -3.565 -2.785 528 HD23 LEU 65 2HD2 LEU 65 -5.778 -2.016 -1.995 529 H PHE 66 H PHE 66 -2.626 -1.600 -6.570 530 HA PHE 66 HA PHE 66 -4.129 0.397 -7.919 531 HB2 PHE 66 2HB PHE 66 -1.638 0.422 -7.753 532 HB3 PHE 66 1HB PHE 66 -1.574 -0.989 -8.799 533 HD1 PHE 66 HD1 PHE 66 -2.766 2.531 -8.707 534 HD2 PHE 66 HD2 PHE 66 -1.391 -0.702 -11.108 535 HE1 PHE 66 HE1 PHE 66 -2.671 4.021 -10.655 536 HE2 PHE 66 HE2 PHE 66 -1.299 0.781 -13.059 537 HZ PHE 66 HZ PHE 66 -1.937 3.149 -12.839 538 H ALA 67 H ALA 67 -3.506 -2.967 -8.400 539 HA ALA 67 HA ALA 67 -4.564 -3.248 -10.995 540 HB1 ALA 67 3HB ALA 67 -4.421 -5.307 -8.794 541 HB2 ALA 67 1HB ALA 67 -3.134 -4.953 -9.946 542 HB3 ALA 67 2HB ALA 67 -4.661 -5.632 -10.511 543 H GLN 68 H GLN 68 -6.112 -3.111 -7.772 544 HA GLN 68 HA GLN 68 -8.626 -3.978 -8.640 545 HB2 GLN 68 2HB GLN 68 -7.691 -2.244 -6.388 546 HB3 GLN 68 1HB GLN 68 -9.369 -2.626 -6.632 547 HG2 GLN 68 2HG GLN 68 -7.208 -4.230 -5.366 548 HG3 GLN 68 1HG GLN 68 -8.875 -4.105 -5.055 549 HE21 GLN 68 1HE2 GLN 68 -6.641 -5.766 -7.082 550 HE22 GLN 68 2HE2 GLN 68 -7.745 -6.996 -7.595 551 H GLY 69 H GLY 69 -7.164 -0.813 -7.993 552 HA2 GLY 69 2HA GLY 69 -8.655 0.603 -10.056 553 HA3 GLY 69 1HA GLY 69 -9.272 0.759 -8.456 554 H MET 70 H MET 70 -7.740 2.469 -10.423 555 HA MET 70 HA MET 70 -5.572 3.460 -8.829 556 HB2 MET 70 2HB MET 70 -7.316 4.913 -10.855 557 HB3 MET 70 1HB MET 70 -5.783 5.508 -10.237 558 HG2 MET 70 2HG MET 70 -4.655 3.592 -11.302 559 HG3 MET 70 1HG MET 70 -6.207 3.064 -11.940 560 HE1 MET 70 3HE MET 70 -7.088 5.981 -14.429 561 HE2 MET 70 1HE MET 70 -7.561 5.886 -12.734 562 HE3 MET 70 2HE MET 70 -7.613 4.444 -13.747 563 H ALA 71 H ALA 71 -8.941 3.708 -9.046 564 HA ALA 71 HA ALA 71 -9.392 5.824 -7.156 565 HB1 ALA 71 3HB ALA 71 -11.056 5.248 -8.853 566 HB2 ALA 71 1HB ALA 71 -11.730 5.012 -7.235 567 HB3 ALA 71 2HB ALA 71 -11.165 3.625 -8.187 568 H THR 72 H THR 72 -9.323 2.311 -7.070 569 HA THR 72 HA THR 72 -9.893 1.944 -4.385 570 HB THR 72 HB THR 72 -8.126 0.355 -6.287 571 HG1 THR 72 HG1 THR 72 -10.435 -0.777 -5.509 572 HG21 THR 72 3HG2 THR 72 -8.446 -1.564 -4.641 573 HG22 THR 72 1HG2 THR 72 -9.162 -0.447 -3.527 574 HG23 THR 72 2HG2 THR 72 -7.467 -0.280 -3.954 575 H TRP 73 H TRP 73 -6.843 2.653 -6.047 576 HA TRP 73 HA TRP 73 -5.233 2.513 -3.765 577 HB2 TRP 73 2HB TRP 73 -4.361 2.364 -6.101 578 HB3 TRP 73 1HB TRP 73 -4.694 4.077 -6.313 579 HD1 TRP 73 HD1 TRP 73 -2.822 5.746 -5.507 580 HE1 TRP 73 HE1 TRP 73 -0.568 5.504 -4.347 581 HE3 TRP 73 HE3 TRP 73 -3.019 0.802 -4.361 582 HZ2 TRP 73 HZ2 TRP 73 0.959 3.548 -3.163 583 HZ3 TRP 73 HZ3 TRP 73 -1.071 -0.183 -3.228 584 HH2 TRP 73 HH2 TRP 73 0.878 1.181 -2.643 585 H LYS 74 H LYS 74 -6.943 5.399 -5.233 586 HA LYS 74 HA LYS 74 -5.795 7.136 -3.393 587 HB2 LYS 74 2HB LYS 74 -7.065 8.813 -4.472 588 HB3 LYS 74 1HB LYS 74 -6.929 7.484 -5.630 589 HG2 LYS 74 2HG LYS 74 -9.172 6.827 -5.179 590 HG3 LYS 74 1HG LYS 74 -9.158 8.154 -3.974 591 HD2 LYS 74 2HD LYS 74 -10.187 9.018 -6.040 592 HD3 LYS 74 1HD LYS 74 -8.600 9.729 -5.627 593 HE2 LYS 74 2HE LYS 74 -7.485 8.427 -7.296 594 HE3 LYS 74 1HE LYS 74 -8.968 7.550 -7.665 595 HZ1 LYS 74 3HZ LYS 74 -9.925 9.613 -8.496 596 HZ2 LYS 74 1HZ LYS 74 -8.513 9.211 -9.308 597 HZ3 LYS 74 2HZ LYS 74 -8.473 10.435 -8.176 598 H SER 75 H SER 75 -8.828 5.421 -3.297 599 HA SER 75 HA SER 75 -9.752 6.371 -0.906 600 HB2 SER 75 2HB SER 75 -9.924 3.697 -2.227 601 HB3 SER 75 1HB SER 75 -11.000 4.331 -0.990 602 HG SER 75 HG SER 75 -11.117 4.663 -3.598 603 H PHE 76 H PHE 76 -7.544 3.787 -1.748 604 HA PHE 76 HA PHE 76 -7.088 2.669 0.752 605 HB2 PHE 76 2HB PHE 76 -6.322 1.571 -1.241 606 HB3 PHE 76 1HB PHE 76 -5.251 2.884 -1.624 607 HD1 PHE 76 HD2 PHE 76 -5.868 0.427 1.086 608 HD2 PHE 76 HD1 PHE 76 -3.039 2.803 -1.005 609 HE1 PHE 76 HE2 PHE 76 -4.055 -0.613 2.370 610 HE2 PHE 76 HE1 PHE 76 -1.216 1.776 0.278 611 HZ PHE 76 HZ PHE 76 -1.736 0.047 1.969 612 H ILE 77 H ILE 77 -5.247 5.321 -0.920 613 HA ILE 77 HA ILE 77 -3.381 5.495 1.139 614 HB ILE 77 HB ILE 77 -4.239 7.540 -0.909 615 HG12 ILE 77 2HG1 ILE 77 -3.353 5.491 -1.905 616 HG13 ILE 77 1HG1 ILE 77 -2.229 6.823 -2.124 617 HG21 ILE 77 1HG2 ILE 77 -1.792 7.449 0.823 618 HG22 ILE 77 2HG2 ILE 77 -3.156 8.553 0.987 619 HG23 ILE 77 3HG2 ILE 77 -2.121 8.634 -0.446 620 HD11 ILE 77 3HD1 ILE 77 -1.033 4.811 -1.592 621 HD12 ILE 77 1HD1 ILE 77 -1.981 4.583 -0.119 622 HD13 ILE 77 2HD1 ILE 77 -0.879 5.949 -0.253 623 H ASN 78 H ASN 78 -6.475 6.942 0.686 624 HA ASN 78 HA ASN 78 -6.552 8.873 2.680 625 HB2 ASN 78 2HB ASN 78 -8.321 8.552 1.013 626 HB3 ASN 78 1HB ASN 78 -8.718 6.994 1.715 627 HD21 ASN 78 1HD2 ASN 78 -9.943 6.917 3.609 628 HD22 ASN 78 2HD2 ASN 78 -10.745 8.320 4.211 629 H ASP 79 H ASP 79 -7.218 5.391 2.870 630 HA ASP 79 HA ASP 79 -7.734 5.491 5.707 631 HB2 ASP 79 2HB ASP 79 -7.491 3.186 3.779 632 HB3 ASP 79 1HB ASP 79 -7.609 2.991 5.527 633 H LEU 80 H LEU 80 -5.122 4.561 3.653 634 HA LEU 80 HA LEU 80 -3.324 3.217 5.243 635 HB2 LEU 80 2HB LEU 80 -3.214 3.685 2.816 636 HB3 LEU 80 1HB LEU 80 -3.002 5.327 3.220 637 HG LEU 80 HG LEU 80 -0.985 4.263 2.252 638 HD11 LEU 80 1HD1 LEU 80 -0.545 5.295 5.018 639 HD12 LEU 80 2HD1 LEU 80 -0.652 6.242 3.535 640 HD13 LEU 80 3HD1 LEU 80 0.686 5.113 3.768 641 HD21 LEU 80 3HD2 LEU 80 0.351 2.792 3.634 642 HD22 LEU 80 1HD2 LEU 80 -1.233 2.140 3.156 643 HD23 LEU 80 2HD2 LEU 80 -1.012 2.775 4.788 644 H CYS 81 H CYS 81 -3.431 6.699 4.727 645 HA CYS 81 HA CYS 81 -1.446 7.312 6.657 646 HB2 CYS 81 2HB CYS 81 -3.577 9.145 5.583 647 HB3 CYS 81 1HB CYS 81 -2.045 9.606 6.330 648 HG CYS 81 HG CYS 81 -2.728 8.571 3.253 649 H PHE 82 H PHE 82 -4.882 7.004 6.842 650 HA PHE 82 HA PHE 82 -5.267 8.353 9.308 651 HB2 PHE 82 2HB PHE 82 -7.103 7.979 7.639 652 HB3 PHE 82 1HB PHE 82 -6.965 6.275 7.952 653 HD1 PHE 82 HD1 PHE 82 -7.400 9.365 9.994 654 HD2 PHE 82 HD2 PHE 82 -8.509 5.313 9.324 655 HE1 PHE 82 HE1 PHE 82 -8.989 9.486 11.868 656 HE2 PHE 82 HE2 PHE 82 -10.094 5.431 11.195 657 HZ PHE 82 HZ PHE 82 -10.334 7.523 12.468 658 H GLU 83 H GLU 83 -5.064 4.952 8.392 659 HA GLU 83 HA GLU 83 -5.544 4.138 11.080 660 HB2 GLU 83 2HB GLU 83 -4.703 2.325 8.863 661 HB3 GLU 83 1HB GLU 83 -5.582 1.916 10.329 662 HG2 GLU 83 2HG GLU 83 -7.293 3.673 9.341 663 HG3 GLU 83 1HG GLU 83 -6.485 3.244 7.874 664 H LEU 84 H LEU 84 -2.741 4.833 9.296 665 HA LEU 84 HA LEU 84 -1.112 3.225 11.063 666 HB2 LEU 84 2HB LEU 84 -0.341 4.968 8.725 667 HB3 LEU 84 1HB LEU 84 0.804 4.047 9.681 668 HG LEU 84 HG LEU 84 -1.442 2.867 8.027 669 HD11 LEU 84 1HD1 LEU 84 1.526 2.827 7.568 670 HD12 LEU 84 2HD1 LEU 84 0.351 3.769 6.653 671 HD13 LEU 84 3HD1 LEU 84 0.316 2.013 6.583 672 HD21 LEU 84 3HD2 LEU 84 -1.000 1.481 9.969 673 HD22 LEU 84 1HD2 LEU 84 0.735 1.525 9.629 674 HD23 LEU 84 2HD2 LEU 84 -0.366 0.716 8.518 675 H ASP 85 H ASP 85 -2.669 5.827 11.572 676 HA ASP 85 HA ASP 85 -2.732 7.285 13.247 677 HB2 ASP 85 2HB ASP 85 -1.863 5.595 14.720 678 HB3 ASP 85 1HB ASP 85 -0.214 5.935 14.212 679 H VAL 86 H VAL 86 0.649 7.217 12.257 680 HA VAL 86 HA VAL 86 0.959 9.952 12.931 681 HB VAL 86 HB VAL 86 3.204 9.803 11.811 682 HG11 VAL 86 1HG1 VAL 86 2.534 7.604 13.754 683 HG12 VAL 86 2HG1 VAL 86 2.938 9.267 14.174 684 HG13 VAL 86 3HG1 VAL 86 4.152 8.221 13.432 685 HG21 VAL 86 3HG2 VAL 86 3.988 7.600 11.070 686 HG22 VAL 86 1HG2 VAL 86 2.641 8.167 10.084 687 HG23 VAL 86 2HG2 VAL 86 2.371 6.940 11.322 688 HA PRO 87 HA PRO 87 -0.549 11.820 9.140 689 HB2 PRO 87 2HB PRO 87 1.003 14.174 9.998 690 HB3 PRO 87 1HB PRO 87 -0.739 14.038 9.765 691 HG2 PRO 87 2HG PRO 87 0.352 14.273 12.208 692 HG3 PRO 87 1HG PRO 87 -1.102 13.303 11.919 693 HD2 PRO 87 2HD PRO 87 1.728 12.417 12.302 694 HD3 PRO 87 1HD PRO 87 0.205 11.712 12.903 695 H LEU 88 H LEU 88 0.531 11.091 7.412 696 HA LEU 88 HA LEU 88 3.409 11.053 7.337 697 HB2 LEU 88 2HB LEU 88 1.420 10.280 5.217 698 HB3 LEU 88 1HB LEU 88 3.130 9.908 5.210 699 HG LEU 88 HG LEU 88 1.099 8.845 7.168 700 HD11 LEU 88 1HD1 LEU 88 2.585 7.516 4.922 701 HD12 LEU 88 2HD1 LEU 88 0.861 7.896 4.966 702 HD13 LEU 88 3HD1 LEU 88 1.533 6.710 6.083 703 HD21 LEU 88 3HD2 LEU 88 2.926 7.405 7.936 704 HD22 LEU 88 1HD2 LEU 88 3.262 9.112 8.226 705 HD23 LEU 88 2HD2 LEU 88 4.042 8.279 6.882 706 H ASP 89 H ASP 89 0.832 12.651 5.640 707 HA ASP 89 HA ASP 89 0.634 14.380 4.294 708 HB2 ASP 89 2HB ASP 89 2.064 15.616 5.981 709 HB3 ASP 89 1HB ASP 89 3.470 15.200 5.012 710 H MET 90 H MET 90 1.503 15.354 2.197 711 HA MET 90 HA MET 90 1.870 14.906 0.002 712 HB2 MET 90 2HB MET 90 4.045 13.129 1.142 713 HB3 MET 90 1HB MET 90 3.710 13.150 -0.573 714 HG2 MET 90 2HG MET 90 5.584 14.538 -0.171 715 HG3 MET 90 1HG MET 90 4.232 15.583 -0.568 716 HE1 MET 90 3HE MET 90 6.410 17.709 1.875 717 HE2 MET 90 1HE MET 90 5.670 17.624 0.278 718 HE3 MET 90 2HE MET 90 6.994 16.536 0.697 719 H GLU 91 H GLU 91 0.028 13.429 1.633 720 HA GLU 91 HA GLU 91 -0.303 10.686 1.094 721 HB2 GLU 91 2HB GLU 91 -1.524 11.932 2.809 722 HB3 GLU 91 1HB GLU 91 -2.287 12.927 1.588 723 HG2 GLU 91 2HG GLU 91 -3.420 10.866 0.744 724 HG3 GLU 91 1HG GLU 91 -2.721 10.029 2.136 725 H ILE 92 H ILE 92 -1.327 13.489 -0.811 726 HA ILE 92 HA ILE 92 -2.722 11.801 -2.724 727 HB ILE 92 HB ILE 92 -1.825 14.695 -2.882 728 HG12 ILE 92 2HG1 ILE 92 -3.333 14.542 -1.035 729 HG13 ILE 92 1HG1 ILE 92 -4.215 15.246 -2.380 730 HG21 ILE 92 1HG2 ILE 92 -3.762 13.153 -4.522 731 HG22 ILE 92 2HG2 ILE 92 -2.152 13.778 -4.956 732 HG23 ILE 92 3HG2 ILE 92 -3.474 14.907 -4.626 733 HD11 ILE 92 3HD1 ILE 92 -5.606 13.674 -1.201 734 HD12 ILE 92 1HD1 ILE 92 -4.389 12.413 -1.394 735 HD13 ILE 92 2HD1 ILE 92 -5.234 13.032 -2.804 736 HA PRO 93 HA PRO 93 1.477 12.161 -5.217 737 HB2 PRO 93 2HB PRO 93 3.012 12.386 -2.653 738 HB3 PRO 93 1HB PRO 93 3.533 12.840 -4.276 739 HG2 PRO 93 2HG PRO 93 2.712 14.745 -2.624 740 HG3 PRO 93 1HG PRO 93 2.129 14.729 -4.302 741 HD2 PRO 93 2HD PRO 93 0.655 13.984 -1.827 742 HD3 PRO 93 1HD PRO 93 0.097 14.771 -3.313 743 H LEU 94 H LEU 94 0.986 10.861 -1.911 744 HA LEU 94 HA LEU 94 2.117 8.300 -2.239 745 HB2 LEU 94 2HB LEU 94 -0.070 9.379 -0.524 746 HB3 LEU 94 1HB LEU 94 -0.013 7.656 -0.732 747 HG LEU 94 HG LEU 94 2.248 7.694 0.281 748 HD11 LEU 94 1HD1 LEU 94 2.986 9.537 1.610 749 HD12 LEU 94 2HD1 LEU 94 1.655 10.511 0.984 750 HD13 LEU 94 3HD1 LEU 94 2.920 9.950 -0.103 751 HD21 LEU 94 3HD2 LEU 94 1.487 7.982 2.575 752 HD22 LEU 94 1HD2 LEU 94 0.379 7.046 1.575 753 HD23 LEU 94 2HD2 LEU 94 0.009 8.724 1.959 754 H VAL 95 H VAL 95 -1.039 9.567 -3.243 755 HA VAL 95 HA VAL 95 -1.685 6.983 -4.267 756 HB VAL 95 HB VAL 95 -3.572 8.194 -3.250 757 HG11 VAL 95 1HG1 VAL 95 -4.751 9.707 -4.149 758 HG12 VAL 95 2HG1 VAL 95 -3.294 10.381 -5.011 759 HG13 VAL 95 3HG1 VAL 95 -3.349 10.122 -3.199 760 HG21 VAL 95 3HG2 VAL 95 -4.324 6.638 -4.840 761 HG22 VAL 95 1HG2 VAL 95 -3.865 7.733 -6.167 762 HG23 VAL 95 2HG2 VAL 95 -5.183 8.142 -5.077 763 H SER 96 H SER 96 -0.998 9.995 -5.523 764 HA SER 96 HA SER 96 -1.140 9.401 -8.254 765 HB2 SER 96 2HB SER 96 0.180 11.385 -6.580 766 HB3 SER 96 1HB SER 96 0.224 11.580 -8.314 767 HG SER 96 HG SER 96 -2.132 11.293 -8.128 768 H ILE 97 H ILE 97 0.805 7.847 -6.288 769 HA ILE 97 HA ILE 97 3.470 8.331 -7.170 770 HB ILE 97 HB ILE 97 2.741 7.530 -4.910 771 HG12 ILE 97 2HG1 ILE 97 4.797 5.766 -6.263 772 HG13 ILE 97 1HG1 ILE 97 5.109 7.396 -5.671 773 HG21 ILE 97 1HG2 ILE 97 1.134 5.830 -5.583 774 HG22 ILE 97 2HG2 ILE 97 2.394 5.108 -4.587 775 HG23 ILE 97 3HG2 ILE 97 2.419 4.885 -6.336 776 HD11 ILE 97 3HD1 ILE 97 5.901 5.715 -4.107 777 HD12 ILE 97 1HD1 ILE 97 4.271 5.049 -3.991 778 HD13 ILE 97 2HD1 ILE 97 4.597 6.674 -3.407 779 H TRP 98 H TRP 98 0.989 6.353 -8.552 780 HA TRP 98 HA TRP 98 2.925 4.415 -9.526 781 HB2 TRP 98 2HB TRP 98 -0.061 4.450 -9.707 782 HB3 TRP 98 1HB TRP 98 0.915 3.321 -10.627 783 HD1 TRP 98 HD1 TRP 98 -0.517 3.915 -7.218 784 HE1 TRP 98 HE1 TRP 98 0.032 1.924 -5.715 785 HE3 TRP 98 HE3 TRP 98 2.878 1.554 -10.203 786 HZ2 TRP 98 HZ2 TRP 98 1.691 -0.357 -5.758 787 HZ3 TRP 98 HZ3 TRP 98 3.902 -0.526 -9.399 788 HH2 TRP 98 HH2 TRP 98 3.320 -1.464 -7.220 789 H GLY 99 H GLY 99 0.260 5.933 -11.292 790 HA2 GLY 99 2HA GLY 99 2.040 5.923 -13.648 791 HA3 GLY 99 1HA GLY 99 0.371 5.427 -13.660 792 HA PRO 100 HA PRO 100 -0.534 9.443 -15.240 793 HB2 PRO 100 2HB PRO 100 -3.202 8.836 -14.089 794 HB3 PRO 100 1HB PRO 100 -2.776 9.321 -15.732 795 HG2 PRO 100 2HG PRO 100 -3.451 6.804 -15.177 796 HG3 PRO 100 1HG PRO 100 -2.178 7.174 -16.352 797 HD2 PRO 100 2HD PRO 100 -1.927 6.169 -13.548 798 HD3 PRO 100 1HD PRO 100 -0.934 5.823 -14.977 799 H ARG 101 H ARG 101 0.203 11.137 -14.134 800 HA ARG 101 HA ARG 101 -0.825 11.690 -11.473 801 HB2 ARG 101 2HB ARG 101 1.349 12.938 -13.146 802 HB3 ARG 101 1HB ARG 101 0.652 13.813 -11.804 803 HG2 ARG 101 2HG ARG 101 2.687 12.854 -11.057 804 HG3 ARG 101 1HG ARG 101 1.391 11.929 -10.320 805 HD2 ARG 101 2HD ARG 101 1.715 10.154 -11.937 806 HD3 ARG 101 1HD ARG 101 2.947 11.108 -12.769 807 HE ARG 101 HE ARG 101 3.716 10.940 -10.129 808 HH11 ARG 101 1HH1 ARG 101 3.184 8.616 -12.699 809 HH12 ARG 101 2HH1 ARG 101 4.396 7.528 -12.184 810 HH21 ARG 101 1HH2 ARG 101 5.331 9.511 -9.401 811 HH22 ARG 101 2HH2 ARG 101 5.680 8.066 -10.237 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 -4.600 22.636 4.929 2 H2 GLY 1 2H GLY 1 -4.349 22.208 6.539 3 H3 GLY 1 3H GLY 1 -5.229 23.608 6.154 4 HA2 GLY 1 1HA GLY 1 -6.681 21.833 6.839 5 HA3 GLY 1 2HA GLY 1 -6.944 22.284 5.157 6 HA PRO 2 HA PRO 2 -5.928 17.749 5.377 7 HB2 PRO 2 2HB PRO 2 -8.480 16.770 5.085 8 HB3 PRO 2 1HB PRO 2 -7.705 17.071 6.641 9 HG2 PRO 2 2HG PRO 2 -9.947 18.450 5.464 10 HG3 PRO 2 1HG PRO 2 -9.212 18.713 7.046 11 HD2 PRO 2 2HD PRO 2 -8.838 20.210 4.538 12 HD3 PRO 2 1HD PRO 2 -8.518 20.712 6.208 13 H LEU 3 H LEU 3 -6.171 19.684 3.121 14 HA LEU 3 HA LEU 3 -6.144 19.780 0.908 15 HB2 LEU 3 2HB LEU 3 -5.958 16.773 1.118 16 HB3 LEU 3 1HB LEU 3 -5.977 17.591 -0.426 17 HG LEU 3 HG LEU 3 -3.724 17.012 0.116 18 HD11 LEU 3 1HD1 LEU 3 -2.600 19.152 0.049 19 HD12 LEU 3 2HD1 LEU 3 -4.106 19.956 0.475 20 HD13 LEU 3 3HD1 LEU 3 -3.978 19.074 -1.048 21 HD21 LEU 3 3HD2 LEU 3 -2.548 17.875 2.093 22 HD22 LEU 3 1HD2 LEU 3 -3.875 16.790 2.514 23 HD23 LEU 3 2HD2 LEU 3 -4.073 18.533 2.693 24 H GLY 4 H GLY 4 -7.926 20.779 0.487 25 HA2 GLY 4 2HA GLY 4 -10.501 19.552 0.348 26 HA3 GLY 4 1HA GLY 4 -10.062 21.128 -0.315 27 H SER 5 H SER 5 -8.179 20.646 -2.025 28 HA SER 5 HA SER 5 -9.471 19.198 -4.137 29 HB2 SER 5 2HB SER 5 -6.739 20.488 -4.038 30 HB3 SER 5 1HB SER 5 -7.633 20.033 -5.492 31 HG SER 5 HG SER 5 -9.317 21.506 -4.405 32 H MET 6 H MET 6 -9.394 17.004 -3.706 33 HA MET 6 HA MET 6 -7.046 15.887 -2.487 34 HB2 MET 6 2HB MET 6 -9.413 15.075 -2.019 35 HB3 MET 6 1HB MET 6 -9.389 14.341 -3.616 36 HG2 MET 6 2HG MET 6 -7.480 12.962 -2.956 37 HG3 MET 6 1HG MET 6 -7.522 13.709 -1.360 38 HE1 MET 6 3HE MET 6 -7.417 10.684 -1.591 39 HE2 MET 6 1HE MET 6 -8.723 10.128 -0.535 40 HE3 MET 6 2HE MET 6 -7.693 11.466 -0.038 41 H ASP 7 H ASP 7 -8.148 16.484 -5.576 42 HA ASP 7 HA ASP 7 -6.324 14.561 -6.857 43 HB2 ASP 7 2HB ASP 7 -8.360 16.486 -8.017 44 HB3 ASP 7 1HB ASP 7 -7.304 15.453 -8.968 45 H ALA 8 H ALA 8 -5.516 16.800 -5.179 46 HA ALA 8 HA ALA 8 -3.992 18.515 -6.900 47 HB1 ALA 8 3HB ALA 8 -3.654 17.931 -3.947 48 HB2 ALA 8 1HB ALA 8 -4.628 19.232 -4.631 49 HB3 ALA 8 2HB ALA 8 -2.878 19.243 -4.834 50 H GLU 9 H GLU 9 -3.811 15.339 -5.921 51 HA GLU 9 HA GLU 9 -1.082 14.768 -5.761 52 HB2 GLU 9 2HB GLU 9 -1.787 12.492 -6.650 53 HB3 GLU 9 1HB GLU 9 -2.606 13.016 -5.188 54 HG2 GLU 9 2HG GLU 9 -4.544 13.511 -6.317 55 HG3 GLU 9 1HG GLU 9 -3.773 13.459 -7.911 56 H SER 10 H SER 10 -3.233 15.171 -8.470 57 HA SER 10 HA SER 10 -1.750 14.346 -10.642 58 HB2 SER 10 2HB SER 10 -3.705 16.569 -10.233 59 HB3 SER 10 1HB SER 10 -3.306 15.899 -11.831 60 HG SER 10 HG SER 10 -3.940 13.829 -10.396 61 H ILE 11 H ILE 11 -1.541 17.175 -8.678 62 HA ILE 11 HA ILE 11 -0.046 18.743 -10.528 63 HB ILE 11 HB ILE 11 -1.103 19.156 -7.727 64 HG12 ILE 11 2HG1 ILE 11 -2.746 20.484 -8.549 65 HG13 ILE 11 1HG1 ILE 11 -2.021 20.790 -10.159 66 HG21 ILE 11 1HG2 ILE 11 0.385 21.160 -9.408 67 HG22 ILE 11 2HG2 ILE 11 0.943 20.422 -7.908 68 HG23 ILE 11 3HG2 ILE 11 -0.445 21.512 -7.892 69 HD11 ILE 11 3HD1 ILE 11 -3.517 18.456 -8.960 70 HD12 ILE 11 1HD1 ILE 11 -2.824 18.443 -10.577 71 HD13 ILE 11 2HD1 ILE 11 -4.111 19.586 -10.175 72 H ARG 12 H ARG 12 0.569 16.546 -7.831 73 HA ARG 12 HA ARG 12 3.049 17.809 -7.073 74 HB2 ARG 12 2HB ARG 12 1.669 15.317 -6.161 75 HB3 ARG 12 1HB ARG 12 3.196 15.871 -5.505 76 HG2 ARG 12 2HG ARG 12 0.576 17.365 -5.398 77 HG3 ARG 12 1HG ARG 12 1.315 16.477 -4.063 78 HD2 ARG 12 2HD ARG 12 3.302 17.983 -4.278 79 HD3 ARG 12 1HD ARG 12 2.387 18.923 -5.453 80 HE ARG 12 HE ARG 12 0.790 18.760 -3.252 81 HH11 ARG 12 1HH1 ARG 12 3.995 20.072 -4.000 82 HH12 ARG 12 2HH1 ARG 12 3.988 21.212 -2.737 83 HH21 ARG 12 1HH2 ARG 12 0.753 20.365 -1.541 84 HH22 ARG 12 2HH2 ARG 12 2.081 21.391 -1.312 85 H LEU 13 H LEU 13 2.342 14.408 -7.995 86 HA LEU 13 HA LEU 13 3.651 12.741 -8.741 87 HB2 LEU 13 2HB LEU 13 3.860 14.919 -10.683 88 HB3 LEU 13 1HB LEU 13 4.813 13.478 -11.008 89 HG LEU 13 HG LEU 13 2.786 13.380 -12.275 90 HD11 LEU 13 1HD1 LEU 13 2.466 11.556 -9.912 91 HD12 LEU 13 2HD1 LEU 13 3.502 11.287 -11.309 92 HD13 LEU 13 3HD1 LEU 13 1.753 11.346 -11.512 93 HD21 LEU 13 3HD2 LEU 13 1.292 13.792 -9.707 94 HD22 LEU 13 1HD2 LEU 13 0.573 13.460 -11.282 95 HD23 LEU 13 2HD2 LEU 13 1.457 14.962 -11.015 96 H ASN 14 H ASN 14 5.870 12.281 -10.006 97 HA ASN 14 HA ASN 14 8.061 11.824 -9.792 98 HB2 ASN 14 2HB ASN 14 8.014 13.773 -11.258 99 HB3 ASN 14 1HB ASN 14 8.198 14.835 -9.870 100 HD21 ASN 14 1HD2 ASN 14 10.133 15.730 -10.480 101 HD22 ASN 14 2HD2 ASN 14 11.607 14.846 -10.575 102 H ASN 15 H ASN 15 8.255 10.853 -7.739 103 HA ASN 15 HA ASN 15 10.360 11.814 -6.223 104 HB2 ASN 15 2HB ASN 15 8.615 13.435 -5.335 105 HB3 ASN 15 1HB ASN 15 7.773 12.061 -4.642 106 HD21 ASN 15 1HD2 ASN 15 8.886 14.328 -3.280 107 HD22 ASN 15 2HD2 ASN 15 10.096 13.746 -2.186 108 H GLU 16 H GLU 16 11.267 9.983 -5.974 109 HA GLU 16 HA GLU 16 9.959 7.415 -5.697 110 HB2 GLU 16 2HB GLU 16 12.869 8.190 -5.475 111 HB3 GLU 16 1HB GLU 16 12.264 6.549 -5.453 112 HG2 GLU 16 2HG GLU 16 13.143 6.977 -7.611 113 HG3 GLU 16 1HG GLU 16 11.391 6.910 -7.750 114 H ASN 17 H ASN 17 11.207 9.710 -3.420 115 HA ASN 17 HA ASN 17 11.866 7.911 -1.377 116 HB2 ASN 17 2HB ASN 17 10.994 10.792 -1.131 117 HB3 ASN 17 1HB ASN 17 11.647 9.839 0.197 118 HD21 ASN 17 1HD2 ASN 17 13.866 9.271 0.163 119 HD22 ASN 17 2HD2 ASN 17 14.962 10.074 -0.888 120 H LEU 18 H LEU 18 8.770 9.091 -2.348 121 HA LEU 18 HA LEU 18 7.352 8.389 -0.002 122 HB2 LEU 18 2HB LEU 18 6.441 8.547 -2.861 123 HB3 LEU 18 1HB LEU 18 5.341 8.101 -1.577 124 HG LEU 18 HG LEU 18 4.891 10.323 -2.018 125 HD11 LEU 18 1HD1 LEU 18 6.854 10.451 0.218 126 HD12 LEU 18 2HD1 LEU 18 5.189 9.878 0.311 127 HD13 LEU 18 3HD1 LEU 18 5.516 11.573 -0.106 128 HD21 LEU 18 3HD2 LEU 18 6.538 12.071 -2.276 129 HD22 LEU 18 1HD2 LEU 18 6.745 10.778 -3.459 130 HD23 LEU 18 2HD2 LEU 18 7.828 10.877 -2.063 131 H TRP 19 H TRP 19 8.441 6.546 -2.760 132 HA TRP 19 HA TRP 19 6.823 4.276 -2.239 133 HB2 TRP 19 2HB TRP 19 7.762 4.762 -4.493 134 HB3 TRP 19 1HB TRP 19 9.365 4.464 -3.889 135 HD1 TRP 19 HD1 TRP 19 10.195 1.997 -4.108 136 HE1 TRP 19 HE1 TRP 19 9.082 -0.273 -4.526 137 HE3 TRP 19 HE3 TRP 19 5.298 3.474 -4.024 138 HZ2 TRP 19 HZ2 TRP 19 6.447 -1.308 -4.797 139 HZ3 TRP 19 HZ3 TRP 19 3.555 1.784 -4.365 140 HH2 TRP 19 HH2 TRP 19 4.124 -0.555 -4.747 141 H ALA 20 H ALA 20 10.215 5.038 -1.667 142 HA ALA 20 HA ALA 20 10.855 2.633 -0.370 143 HB1 ALA 20 3HB ALA 20 12.564 4.179 -1.200 144 HB2 ALA 20 1HB ALA 20 12.814 3.757 0.493 145 HB3 ALA 20 2HB ALA 20 12.136 5.334 0.069 146 H TRP 21 H TRP 21 9.622 5.688 0.900 147 HA TRP 21 HA TRP 21 9.657 5.020 3.621 148 HB2 TRP 21 2HB TRP 21 9.230 7.297 3.231 149 HB3 TRP 21 1HB TRP 21 8.059 6.963 1.964 150 HD1 TRP 21 HD1 TRP 21 5.599 6.887 2.619 151 HE1 TRP 21 HE1 TRP 21 4.264 7.136 4.780 152 HE3 TRP 21 HE3 TRP 21 9.467 6.812 5.943 153 HZ2 TRP 21 HZ2 TRP 21 4.775 7.289 7.556 154 HZ3 TRP 21 HZ3 TRP 21 8.953 7.009 8.348 155 HH2 TRP 21 HH2 TRP 21 6.646 7.238 9.129 156 H LEU 22 H LEU 22 7.118 4.657 1.191 157 HA LEU 22 HA LEU 22 5.122 3.552 2.776 158 HB2 LEU 22 2HB LEU 22 4.915 4.480 0.450 159 HB3 LEU 22 1HB LEU 22 5.719 3.064 -0.158 160 HG LEU 22 HG LEU 22 3.273 3.121 -0.562 161 HD11 LEU 22 1HD1 LEU 22 4.368 0.987 -0.597 162 HD12 LEU 22 2HD1 LEU 22 2.756 0.831 0.102 163 HD13 LEU 22 3HD1 LEU 22 4.175 0.825 1.147 164 HD21 LEU 22 3HD2 LEU 22 3.050 2.829 2.426 165 HD22 LEU 22 1HD2 LEU 22 1.720 2.692 1.277 166 HD23 LEU 22 2HD2 LEU 22 2.563 4.230 1.472 167 H VAL 23 H VAL 23 7.536 1.949 0.736 168 HA VAL 23 HA VAL 23 6.812 -0.661 1.311 169 HB VAL 23 HB VAL 23 9.451 0.496 0.388 170 HG11 VAL 23 1HG1 VAL 23 9.909 -1.627 1.488 171 HG12 VAL 23 2HG1 VAL 23 10.115 -1.754 -0.258 172 HG13 VAL 23 3HG1 VAL 23 8.664 -2.419 0.513 173 HG21 VAL 23 3HG2 VAL 23 8.764 -0.427 -1.772 174 HG22 VAL 23 1HG2 VAL 23 7.593 0.735 -1.150 175 HG23 VAL 23 2HG2 VAL 23 7.260 -0.992 -1.043 176 H ARG 24 H ARG 24 9.224 1.370 2.916 177 HA ARG 24 HA ARG 24 10.147 -0.724 4.596 178 HB2 ARG 24 2HB ARG 24 10.458 2.250 4.732 179 HB3 ARG 24 1HB ARG 24 11.164 1.172 5.926 180 HG2 ARG 24 2HG ARG 24 12.513 0.117 4.228 181 HG3 ARG 24 1HG ARG 24 11.723 1.077 2.973 182 HD2 ARG 24 2HD ARG 24 13.917 1.970 3.612 183 HD3 ARG 24 1HD ARG 24 12.606 3.107 3.910 184 HE ARG 24 HE ARG 24 13.304 1.482 6.178 185 HH11 ARG 24 1HH1 ARG 24 14.121 4.447 4.439 186 HH12 ARG 24 2HH1 ARG 24 14.650 5.307 5.812 187 HH21 ARG 24 1HH2 ARG 24 14.045 2.635 8.080 188 HH22 ARG 24 2HH2 ARG 24 14.609 4.233 7.941 189 H LEU 25 H LEU 25 7.856 1.896 5.071 190 HA LEU 25 HA LEU 25 7.496 1.427 7.845 191 HB2 LEU 25 2HB LEU 25 7.024 3.525 6.416 192 HB3 LEU 25 1HB LEU 25 5.561 2.736 5.925 193 HG LEU 25 HG LEU 25 5.163 4.469 7.630 194 HD11 LEU 25 1HD1 LEU 25 4.571 1.747 8.702 195 HD12 LEU 25 2HD1 LEU 25 3.658 2.637 7.483 196 HD13 LEU 25 3HD1 LEU 25 3.778 3.275 9.132 197 HD21 LEU 25 3HD2 LEU 25 5.903 4.221 9.904 198 HD22 LEU 25 1HD2 LEU 25 7.293 4.284 8.825 199 HD23 LEU 25 2HD2 LEU 25 6.756 2.738 9.501 200 H LEU 26 H LEU 26 5.792 0.341 4.936 201 HA LEU 26 HA LEU 26 3.791 -1.145 6.316 202 HB2 LEU 26 2HB LEU 26 4.726 -1.213 3.511 203 HB3 LEU 26 1HB LEU 26 3.321 -2.054 4.153 204 HG LEU 26 HG LEU 26 3.703 0.847 3.630 205 HD11 LEU 26 1HD1 LEU 26 1.610 -1.069 3.734 206 HD12 LEU 26 2HD1 LEU 26 2.475 -0.631 2.216 207 HD13 LEU 26 3HD1 LEU 26 1.354 0.539 3.040 208 HD21 LEU 26 3HD2 LEU 26 3.260 0.854 6.042 209 HD22 LEU 26 1HD2 LEU 26 1.866 -0.201 5.793 210 HD23 LEU 26 2HD2 LEU 26 1.866 1.433 5.137 211 H SER 27 H SER 27 7.052 -1.815 5.297 212 HA SER 27 HA SER 27 6.917 -4.621 5.401 213 HB2 SER 27 2HB SER 27 8.747 -3.302 4.327 214 HB3 SER 27 1HB SER 27 9.228 -2.709 5.905 215 HG SER 27 HG SER 27 9.468 -5.275 4.787 216 H LYS 28 H LYS 28 6.922 -2.099 7.747 217 HA LYS 28 HA LYS 28 7.664 -3.829 9.906 218 HB2 LYS 28 2HB LYS 28 6.599 -1.046 10.142 219 HB3 LYS 28 1HB LYS 28 7.573 -1.936 11.307 220 HG2 LYS 28 2HG LYS 28 9.295 -1.992 9.290 221 HG3 LYS 28 1HG LYS 28 8.289 -0.722 8.756 222 HD2 LYS 28 2HD LYS 28 9.559 -0.716 11.457 223 HD3 LYS 28 1HD LYS 28 10.227 0.138 10.061 224 HE2 LYS 28 2HE LYS 28 8.140 1.436 9.915 225 HE3 LYS 28 1HE LYS 28 7.539 0.625 11.362 226 HZ1 LYS 28 3HZ LYS 28 8.440 2.719 12.025 227 HZ2 LYS 28 1HZ LYS 28 9.872 2.445 11.160 228 HZ3 LYS 28 2HZ LYS 28 9.544 1.535 12.507 229 H ASN 29 H ASN 29 4.906 -2.960 8.153 230 HA ASN 29 HA ASN 29 3.033 -3.742 10.280 231 HB2 ASN 29 2HB ASN 29 2.757 -1.528 8.287 232 HB3 ASN 29 1HB ASN 29 1.443 -2.104 9.166 233 HD21 ASN 29 1HD2 ASN 29 4.310 -0.279 9.348 234 HD22 ASN 29 2HD2 ASN 29 4.076 0.366 10.941 235 HA PRO 30 HA PRO 30 2.217 -5.863 6.039 236 HB2 PRO 30 2HB PRO 30 2.889 -8.389 7.405 237 HB3 PRO 30 1HB PRO 30 3.451 -7.803 5.839 238 HG2 PRO 30 2HG PRO 30 5.100 -7.931 7.944 239 HG3 PRO 30 1HG PRO 30 5.209 -6.622 6.757 240 HD2 PRO 30 2HD PRO 30 3.955 -6.595 9.484 241 HD3 PRO 30 1HD PRO 30 4.990 -5.383 8.701 242 H GLU 31 H GLU 31 1.781 -6.344 9.305 243 HA GLU 31 HA GLU 31 -0.436 -8.025 9.519 244 HB2 GLU 31 2HB GLU 31 0.392 -5.757 11.328 245 HB3 GLU 31 1HB GLU 31 -0.549 -7.176 11.784 246 HG2 GLU 31 2HG GLU 31 1.362 -8.615 11.382 247 HG3 GLU 31 1HG GLU 31 2.302 -7.251 10.806 248 H TRP 32 H TRP 32 -0.124 -4.437 9.244 249 HA TRP 32 HA TRP 32 -2.962 -4.089 9.260 250 HB2 TRP 32 2HB TRP 32 -1.646 -2.258 10.090 251 HB3 TRP 32 1HB TRP 32 -0.637 -2.258 8.646 252 HD1 TRP 32 HD1 TRP 32 -4.167 -1.249 9.798 253 HE1 TRP 32 HE1 TRP 32 -5.091 0.448 8.115 254 HE3 TRP 32 HE3 TRP 32 -0.429 -1.415 6.360 255 HZ2 TRP 32 HZ2 TRP 32 -4.333 1.580 5.633 256 HZ3 TRP 32 HZ3 TRP 32 -0.579 -0.040 4.382 257 HH2 TRP 32 HH2 TRP 32 -2.510 1.462 4.010 258 H LEU 33 H LEU 33 -0.405 -4.109 6.905 259 HA LEU 33 HA LEU 33 -1.823 -3.191 4.689 260 HB2 LEU 33 2HB LEU 33 0.667 -3.330 5.162 261 HB3 LEU 33 1HB LEU 33 0.582 -4.977 4.659 262 HG LEU 33 HG LEU 33 1.401 -3.228 2.951 263 HD11 LEU 33 1HD1 LEU 33 -0.782 -5.104 2.343 264 HD12 LEU 33 2HD1 LEU 33 0.972 -5.435 2.197 265 HD13 LEU 33 3HD1 LEU 33 0.148 -4.257 1.124 266 HD21 LEU 33 3HD2 LEU 33 -0.362 -1.620 3.287 267 HD22 LEU 33 1HD2 LEU 33 -1.550 -2.794 2.711 268 HD23 LEU 33 2HD2 LEU 33 -0.296 -2.209 1.623 269 H SER 34 H SER 34 -1.205 -6.480 5.695 270 HA SER 34 HA SER 34 -2.331 -7.868 3.576 271 HB2 SER 34 2HB SER 34 -2.864 -9.663 5.304 272 HB3 SER 34 1HB SER 34 -1.195 -9.088 5.291 273 HG SER 34 HG SER 34 -1.439 -8.181 7.142 274 H ALA 35 H ALA 35 -3.990 -6.898 6.490 275 HA ALA 35 HA ALA 35 -6.601 -7.626 5.964 276 HB1 ALA 35 3HB ALA 35 -5.795 -6.853 8.148 277 HB2 ALA 35 1HB ALA 35 -7.255 -5.998 7.642 278 HB3 ALA 35 2HB ALA 35 -5.681 -5.215 7.509 279 H LYS 36 H LYS 36 -5.021 -4.523 5.265 280 HA LYS 36 HA LYS 36 -7.288 -3.405 4.073 281 HB2 LYS 36 2HB LYS 36 -4.395 -2.649 3.950 282 HB3 LYS 36 1HB LYS 36 -5.611 -1.793 3.008 283 HG2 LYS 36 2HG LYS 36 -5.442 -2.088 5.967 284 HG3 LYS 36 1HG LYS 36 -5.355 -0.613 4.997 285 HD2 LYS 36 2HD LYS 36 -7.729 -1.337 4.177 286 HD3 LYS 36 1HD LYS 36 -7.734 -2.310 5.652 287 HE2 LYS 36 2HE LYS 36 -7.196 -0.267 6.924 288 HE3 LYS 36 1HE LYS 36 -7.264 0.537 5.345 289 HZ1 LYS 36 3HZ LYS 36 -9.360 0.907 6.397 290 HZ2 LYS 36 1HZ LYS 36 -9.550 -0.745 6.739 291 HZ3 LYS 36 2HZ LYS 36 -9.593 -0.217 5.158 292 H LEU 37 H LEU 37 -4.570 -5.135 2.647 293 HA LEU 37 HA LEU 37 -5.234 -4.907 -0.033 294 HB2 LEU 37 2HB LEU 37 -4.095 -7.249 1.440 295 HB3 LEU 37 1HB LEU 37 -4.167 -7.149 -0.295 296 HG LEU 37 HG LEU 37 -2.561 -5.439 1.565 297 HD11 LEU 37 1HD1 LEU 37 -1.778 -7.487 -0.510 298 HD12 LEU 37 2HD1 LEU 37 -1.745 -7.704 1.239 299 HD13 LEU 37 3HD1 LEU 37 -0.666 -6.535 0.480 300 HD21 LEU 37 3HD2 LEU 37 -1.584 -4.443 -0.472 301 HD22 LEU 37 1HD2 LEU 37 -3.303 -4.079 -0.323 302 HD23 LEU 37 2HD2 LEU 37 -2.756 -5.320 -1.451 303 H ARG 38 H ARG 38 -6.468 -7.102 2.406 304 HA ARG 38 HA ARG 38 -7.825 -8.792 0.710 305 HB2 ARG 38 2HB ARG 38 -8.624 -8.154 3.516 306 HB3 ARG 38 1HB ARG 38 -9.075 -9.582 2.590 307 HG2 ARG 38 2HG ARG 38 -6.264 -9.542 2.469 308 HG3 ARG 38 1HG ARG 38 -6.667 -8.918 3.984 309 HD2 ARG 38 2HD ARG 38 -6.460 -11.281 4.231 310 HD3 ARG 38 1HD ARG 38 -8.140 -10.771 4.489 311 HE ARG 38 HE ARG 38 -7.571 -11.610 1.798 312 HH11 ARG 38 1HH1 ARG 38 -8.538 -12.755 5.001 313 HH12 ARG 38 2HH1 ARG 38 -9.313 -14.140 4.437 314 HH21 ARG 38 1HH2 ARG 38 -8.633 -13.489 0.989 315 HH22 ARG 38 2HH2 ARG 38 -9.369 -14.584 2.057 316 H SER 39 H SER 39 -8.625 -5.657 1.870 317 HA SER 39 HA SER 39 -11.445 -5.762 1.296 318 HB2 SER 39 2HB SER 39 -10.562 -4.467 3.193 319 HB3 SER 39 1HB SER 39 -9.608 -3.510 2.067 320 HG SER 39 HG SER 39 -11.300 -2.323 2.436 321 H PHE 40 H PHE 40 -8.539 -5.018 -0.347 322 HA PHE 40 HA PHE 40 -9.875 -3.437 -2.447 323 HB2 PHE 40 2HB PHE 40 -6.998 -3.918 -1.779 324 HB3 PHE 40 1HB PHE 40 -7.524 -3.051 -3.228 325 HD1 PHE 40 HD2 PHE 40 -9.477 -1.331 -2.572 326 HD2 PHE 40 HD1 PHE 40 -6.346 -2.567 -0.042 327 HE1 PHE 40 HE2 PHE 40 -9.794 0.730 -1.206 328 HE2 PHE 40 HE1 PHE 40 -6.634 -0.545 1.347 329 HZ PHE 40 HZ PHE 40 -8.355 1.109 0.757 330 H LEU 41 H LEU 41 -7.562 -6.174 -2.235 331 HA LEU 41 HA LEU 41 -8.177 -6.884 -4.929 332 HB2 LEU 41 2HB LEU 41 -6.379 -8.177 -2.895 333 HB3 LEU 41 1HB LEU 41 -6.429 -8.542 -4.606 334 HG LEU 41 HG LEU 41 -4.577 -7.294 -4.427 335 HD11 LEU 41 1HD1 LEU 41 -4.992 -5.035 -5.323 336 HD12 LEU 41 2HD1 LEU 41 -6.706 -5.321 -5.046 337 HD13 LEU 41 3HD1 LEU 41 -5.816 -6.345 -6.176 338 HD21 LEU 41 3HD2 LEU 41 -4.640 -6.642 -2.158 339 HD22 LEU 41 1HD2 LEU 41 -5.903 -5.453 -2.481 340 HD23 LEU 41 2HD2 LEU 41 -4.286 -5.225 -3.148 341 HA PRO 42 HA PRO 42 -11.631 -9.119 -3.356 342 HB2 PRO 42 2HB PRO 42 -12.326 -10.337 -5.696 343 HB3 PRO 42 1HB PRO 42 -12.714 -8.662 -5.281 344 HG2 PRO 42 2HG PRO 42 -10.495 -9.728 -6.982 345 HG3 PRO 42 1HG PRO 42 -11.534 -8.319 -7.259 346 HD2 PRO 42 2HD PRO 42 -9.030 -8.079 -6.336 347 HD3 PRO 42 1HD PRO 42 -10.320 -6.994 -5.804 348 H THR 43 H THR 43 -9.142 -10.857 -5.144 349 HA THR 43 HA THR 43 -10.049 -13.327 -3.856 350 HB THR 43 HB THR 43 -8.628 -14.284 -5.863 351 HG1 THR 43 HG1 THR 43 -9.771 -12.264 -7.316 352 HG21 THR 43 3HG2 THR 43 -10.810 -14.354 -7.071 353 HG22 THR 43 1HG2 THR 43 -11.353 -13.111 -5.921 354 HG23 THR 43 2HG2 THR 43 -10.917 -14.709 -5.319 355 H MET 44 H MET 44 -8.329 -11.416 -2.766 356 HA MET 44 HA MET 44 -5.730 -12.639 -2.959 357 HB2 MET 44 2HB MET 44 -5.505 -10.381 -3.218 358 HB3 MET 44 1HB MET 44 -6.638 -10.025 -1.917 359 HG2 MET 44 2HG MET 44 -5.210 -10.493 -0.341 360 HG3 MET 44 1HG MET 44 -4.107 -11.458 -1.336 361 HE1 MET 44 3HE MET 44 -2.277 -8.682 -3.422 362 HE2 MET 44 1HE MET 44 -3.725 -9.567 -3.909 363 HE3 MET 44 2HE MET 44 -2.415 -10.406 -3.084 364 H ASP 45 H ASP 45 -5.439 -14.272 -2.014 365 HA ASP 45 HA ASP 45 -5.681 -14.324 0.914 366 HB2 ASP 45 2HB ASP 45 -5.447 -16.589 -1.108 367 HB3 ASP 45 1HB ASP 45 -5.182 -16.821 0.612 368 H LEU 46 H LEU 46 -3.958 -12.960 1.001 369 HA LEU 46 HA LEU 46 -1.472 -13.622 -0.360 370 HB2 LEU 46 2HB LEU 46 -0.634 -11.542 0.395 371 HB3 LEU 46 1HB LEU 46 -2.279 -11.280 -0.152 372 HG LEU 46 HG LEU 46 -2.167 -11.848 2.693 373 HD11 LEU 46 1HD1 LEU 46 -0.628 -9.467 1.687 374 HD12 LEU 46 2HD1 LEU 46 -0.005 -10.851 2.598 375 HD13 LEU 46 3HD1 LEU 46 -1.140 -9.741 3.355 376 HD21 LEU 46 3HD2 LEU 46 -3.495 -9.789 2.815 377 HD22 LEU 46 1HD2 LEU 46 -4.109 -10.882 1.575 378 HD23 LEU 46 2HD2 LEU 46 -3.157 -9.476 1.110 379 H ASP 47 H ASP 47 -2.847 -14.677 2.411 380 HA ASP 47 HA ASP 47 -0.604 -14.353 4.172 381 HB2 ASP 47 2HB ASP 47 -2.915 -14.325 4.980 382 HB3 ASP 47 1HB ASP 47 -3.054 -16.047 4.614 383 H CYS 48 H CYS 48 0.276 -15.538 2.037 384 HA CYS 48 HA CYS 48 1.071 -18.177 2.981 385 HB2 CYS 48 2HB CYS 48 1.815 -18.455 0.574 386 HB3 CYS 48 1HB CYS 48 0.065 -18.544 0.848 387 HG CYS 48 HG CYS 48 1.633 -15.695 -0.097 388 H SER 49 H SER 49 2.830 -17.634 4.169 389 HA SER 49 HA SER 49 4.439 -15.477 3.273 390 HB2 SER 49 2HB SER 49 4.800 -17.232 5.700 391 HB3 SER 49 1HB SER 49 5.656 -15.725 5.375 392 HG SER 49 HG SER 49 3.854 -14.585 5.682 393 H TYR 50 H TYR 50 5.160 -16.316 1.388 394 HA TYR 50 HA TYR 50 7.023 -18.479 1.349 395 HB2 TYR 50 2HB TYR 50 7.576 -17.359 -0.973 396 HB3 TYR 50 1HB TYR 50 6.093 -18.312 -0.786 397 HD1 TYR 50 HD1 TYR 50 7.274 -14.794 -0.280 398 HD2 TYR 50 HD2 TYR 50 4.204 -17.324 -1.757 399 HE1 TYR 50 HE1 TYR 50 6.051 -12.831 -1.072 400 HE2 TYR 50 HE2 TYR 50 2.961 -15.350 -2.548 401 HH TYR 50 HH TYR 50 4.468 -12.287 -2.681 402 H GLU 51 H GLU 51 7.185 -15.167 1.648 403 HA GLU 51 HA GLU 51 9.956 -15.222 2.364 404 HB2 GLU 51 2HB GLU 51 8.442 -13.315 0.588 405 HB3 GLU 51 1HB GLU 51 9.909 -12.969 1.415 406 HG2 GLU 51 2HG GLU 51 11.105 -14.698 0.157 407 HG3 GLU 51 1HG GLU 51 9.600 -15.157 -0.639 408 HA PRO 52 HA PRO 52 8.003 -12.686 5.565 409 HB2 PRO 52 2HB PRO 52 10.273 -10.975 5.971 410 HB3 PRO 52 1HB PRO 52 9.827 -12.397 6.912 411 HG2 PRO 52 2HG PRO 52 12.047 -12.142 5.299 412 HG3 PRO 52 1HG PRO 52 11.359 -13.679 5.855 413 HD2 PRO 52 2HD PRO 52 11.101 -12.306 3.224 414 HD3 PRO 52 1HD PRO 52 11.167 -14.041 3.589 415 H SER 53 H SER 53 8.903 -9.952 6.040 416 HA SER 53 HA SER 53 7.005 -8.583 4.414 417 HB2 SER 53 2HB SER 53 9.007 -7.480 6.374 418 HB3 SER 53 1HB SER 53 7.444 -6.800 5.922 419 HG SER 53 HG SER 53 7.607 -8.003 7.949 420 H ASN 54 H ASN 54 9.154 -9.580 2.768 421 HA ASN 54 HA ASN 54 11.271 -7.791 2.367 422 HB2 ASN 54 2HB ASN 54 10.067 -10.047 0.934 423 HB3 ASN 54 1HB ASN 54 11.217 -9.057 0.071 424 HD21 ASN 54 1HD2 ASN 54 11.639 -11.749 0.504 425 HD22 ASN 54 2HD2 ASN 54 12.891 -11.994 1.641 426 HA PRO 55 HA PRO 55 9.611 -4.486 -0.047 427 HB2 PRO 55 2HB PRO 55 11.672 -4.194 -1.886 428 HB3 PRO 55 1HB PRO 55 11.658 -3.495 -0.264 429 HG2 PRO 55 2HG PRO 55 12.953 -6.005 -1.238 430 HG3 PRO 55 1HG PRO 55 13.575 -4.795 -0.100 431 HD2 PRO 55 2HD PRO 55 12.588 -7.122 0.768 432 HD3 PRO 55 1HD PRO 55 12.285 -5.623 1.661 433 H GLU 56 H GLU 56 10.901 -7.277 -1.806 434 HA GLU 56 HA GLU 56 9.575 -6.644 -4.257 435 HB2 GLU 56 2HB GLU 56 10.806 -9.207 -3.258 436 HB3 GLU 56 1HB GLU 56 10.181 -8.979 -4.885 437 HG2 GLU 56 2HG GLU 56 11.811 -7.319 -5.356 438 HG3 GLU 56 1HG GLU 56 12.364 -7.310 -3.684 439 H VAL 57 H VAL 57 8.842 -8.434 -1.411 440 HA VAL 57 HA VAL 57 6.559 -9.794 -2.348 441 HB VAL 57 HB VAL 57 7.378 -8.952 0.450 442 HG11 VAL 57 1HG1 VAL 57 5.842 -10.660 1.263 443 HG12 VAL 57 2HG1 VAL 57 5.260 -10.933 -0.388 444 HG13 VAL 57 3HG1 VAL 57 4.984 -9.374 0.407 445 HG21 VAL 57 3HG2 VAL 57 8.111 -11.228 0.712 446 HG22 VAL 57 1HG2 VAL 57 8.929 -10.456 -0.646 447 HG23 VAL 57 2HG2 VAL 57 7.624 -11.597 -0.949 448 H ILE 58 H ILE 58 7.049 -6.926 -0.414 449 HA ILE 58 HA ILE 58 4.499 -5.882 -0.233 450 HB ILE 58 HB ILE 58 7.128 -4.415 -0.519 451 HG12 ILE 58 2HG1 ILE 58 7.128 -5.921 1.398 452 HG13 ILE 58 1HG1 ILE 58 7.063 -4.239 1.910 453 HG21 ILE 58 1HG2 ILE 58 4.506 -3.352 0.496 454 HG22 ILE 58 2HG2 ILE 58 5.330 -2.887 -0.990 455 HG23 ILE 58 3HG2 ILE 58 6.054 -2.506 0.574 456 HD11 ILE 58 3HD1 ILE 58 5.646 -5.637 3.286 457 HD12 ILE 58 1HD1 ILE 58 4.736 -6.146 1.863 458 HD13 ILE 58 2HD1 ILE 58 4.693 -4.459 2.387 459 H HIS 59 H HIS 59 6.922 -5.471 -2.727 460 HA HIS 59 HA HIS 59 5.687 -3.597 -4.391 461 HB2 HIS 59 2HB HIS 59 8.115 -4.490 -4.402 462 HB3 HIS 59 1HB HIS 59 7.503 -5.839 -5.316 463 HD1 HIS 59 HD1 HIS 59 7.293 -5.512 -7.831 464 HD2 HIS 59 HD2 HIS 59 8.067 -1.997 -5.772 465 HE1 HIS 59 HE1 HIS 59 7.908 -3.827 -9.574 466 HE2 HIS 59 HE2 HIS 59 8.643 -1.811 -8.246 467 H ARG 60 H ARG 60 5.409 -7.139 -4.387 468 HA ARG 60 HA ARG 60 3.873 -7.429 -6.725 469 HB2 ARG 60 2HB ARG 60 5.029 -9.266 -5.637 470 HB3 ARG 60 1HB ARG 60 4.039 -9.084 -4.206 471 HG2 ARG 60 2HG ARG 60 2.086 -9.693 -5.410 472 HG3 ARG 60 1HG ARG 60 3.012 -9.865 -6.920 473 HD2 ARG 60 2HD ARG 60 4.346 -11.636 -5.774 474 HD3 ARG 60 1HD ARG 60 3.272 -11.497 -4.381 475 HE ARG 60 HE ARG 60 2.271 -12.212 -7.052 476 HH11 ARG 60 1HH1 ARG 60 2.556 -13.096 -3.577 477 HH12 ARG 60 2HH1 ARG 60 1.445 -14.368 -3.727 478 HH21 ARG 60 1HH2 ARG 60 0.796 -14.034 -7.154 479 HH22 ARG 60 2HH2 ARG 60 0.481 -14.944 -5.762 480 H GLN 61 H GLN 61 3.126 -6.805 -3.430 481 HA GLN 61 HA GLN 61 0.305 -7.247 -3.513 482 HB2 GLN 61 2HB GLN 61 2.014 -5.739 -1.564 483 HB3 GLN 61 1HB GLN 61 0.348 -6.249 -1.300 484 HG2 GLN 61 2HG GLN 61 0.903 -8.452 -1.485 485 HG3 GLN 61 1HG GLN 61 2.564 -8.156 -1.937 486 HE21 GLN 61 1HE2 GLN 61 1.659 -9.709 0.339 487 HE22 GLN 61 2HE2 GLN 61 2.264 -8.924 1.757 488 H LEU 62 H LEU 62 2.320 -4.438 -3.411 489 HA LEU 62 HA LEU 62 0.135 -2.596 -3.504 490 HB2 LEU 62 2HB LEU 62 3.092 -2.244 -3.814 491 HB3 LEU 62 1HB LEU 62 2.025 -0.918 -4.217 492 HG LEU 62 HG LEU 62 2.982 -0.688 -1.943 493 HD11 LEU 62 1HD1 LEU 62 0.040 -1.225 -1.869 494 HD12 LEU 62 2HD1 LEU 62 0.788 0.273 -2.425 495 HD13 LEU 62 3HD1 LEU 62 0.945 -0.226 -0.739 496 HD21 LEU 62 3HD2 LEU 62 2.285 -2.150 -0.130 497 HD22 LEU 62 1HD2 LEU 62 3.171 -3.058 -1.357 498 HD23 LEU 62 2HD2 LEU 62 1.414 -3.174 -1.275 499 H ASN 63 H ASN 63 2.062 -4.109 -5.920 500 HA ASN 63 HA ASN 63 1.451 -2.836 -8.284 501 HB2 ASN 63 2HB ASN 63 2.935 -4.815 -7.880 502 HB3 ASN 63 1HB ASN 63 1.471 -5.760 -7.679 503 HD21 ASN 63 1HD2 ASN 63 1.797 -3.223 -10.058 504 HD22 ASN 63 2HD2 ASN 63 1.673 -4.288 -11.388 505 H ARG 64 H ARG 64 -0.295 -5.293 -6.560 506 HA ARG 64 HA ARG 64 -2.449 -5.748 -8.216 507 HB2 ARG 64 2HB ARG 64 -2.093 -5.977 -5.256 508 HB3 ARG 64 1HB ARG 64 -3.637 -6.326 -6.009 509 HG2 ARG 64 2HG ARG 64 -1.115 -7.689 -6.842 510 HG3 ARG 64 1HG ARG 64 -2.129 -8.286 -5.524 511 HD2 ARG 64 2HD ARG 64 -4.020 -8.291 -7.106 512 HD3 ARG 64 1HD ARG 64 -2.898 -7.910 -8.416 513 HE ARG 64 HE ARG 64 -1.801 -10.065 -7.208 514 HH11 ARG 64 1HH1 ARG 64 -4.933 -9.479 -8.753 515 HH12 ARG 64 2HH1 ARG 64 -5.225 -11.119 -9.111 516 HH21 ARG 64 1HH2 ARG 64 -2.217 -12.305 -7.676 517 HH22 ARG 64 2HH2 ARG 64 -3.663 -12.760 -8.458 518 H LEU 65 H LEU 65 -2.012 -3.210 -5.801 519 HA LEU 65 HA LEU 65 -4.736 -2.344 -5.753 520 HB2 LEU 65 2HB LEU 65 -2.222 -0.951 -4.918 521 HB3 LEU 65 1HB LEU 65 -3.838 -0.350 -4.600 522 HG LEU 65 HG LEU 65 -2.718 -2.942 -3.522 523 HD11 LEU 65 1HD1 LEU 65 -1.701 -0.842 -2.651 524 HD12 LEU 65 2HD1 LEU 65 -2.587 -1.798 -1.454 525 HD13 LEU 65 3HD1 LEU 65 -3.335 -0.353 -2.168 526 HD21 LEU 65 3HD2 LEU 65 -4.684 -2.888 -2.123 527 HD22 LEU 65 1HD2 LEU 65 -5.142 -2.943 -3.827 528 HD23 LEU 65 2HD2 LEU 65 -5.225 -1.421 -2.928 529 H PHE 66 H PHE 66 -1.946 -1.495 -7.630 530 HA PHE 66 HA PHE 66 -2.847 0.872 -8.840 531 HB2 PHE 66 2HB PHE 66 -0.538 0.102 -9.100 532 HB3 PHE 66 1HB PHE 66 -1.083 -1.349 -9.925 533 HD1 PHE 66 HD2 PHE 66 -0.657 2.293 -10.232 534 HD2 PHE 66 HD1 PHE 66 -1.571 -1.330 -12.265 535 HE1 PHE 66 HE2 PHE 66 -0.404 3.441 -12.392 536 HE2 PHE 66 HE1 PHE 66 -1.323 -0.187 -14.427 537 HZ PHE 66 HZ PHE 66 -0.738 2.204 -14.491 538 H ALA 67 H ALA 67 -3.485 -2.471 -9.455 539 HA ALA 67 HA ALA 67 -4.898 -2.086 -11.898 540 HB1 ALA 67 3HB ALA 67 -5.488 -4.423 -11.704 541 HB2 ALA 67 1HB ALA 67 -4.882 -4.450 -10.050 542 HB3 ALA 67 2HB ALA 67 -3.767 -4.176 -11.394 543 H GLN 68 H GLN 68 -5.865 -2.011 -8.459 544 HA GLN 68 HA GLN 68 -8.557 -2.561 -8.947 545 HB2 GLN 68 2HB GLN 68 -7.090 -1.267 -6.692 546 HB3 GLN 68 1HB GLN 68 -8.824 -1.403 -6.740 547 HG2 GLN 68 2HG GLN 68 -6.816 -3.403 -5.933 548 HG3 GLN 68 1HG GLN 68 -8.437 -3.164 -5.525 549 HE21 GLN 68 1HE2 GLN 68 -6.507 -4.776 -7.939 550 HE22 GLN 68 2HE2 GLN 68 -7.792 -5.769 -8.524 551 H GLY 69 H GLY 69 -6.716 0.447 -8.392 552 HA2 GLY 69 2HA GLY 69 -8.567 2.100 -9.913 553 HA3 GLY 69 1HA GLY 69 -8.940 2.001 -8.250 554 H MET 70 H MET 70 -7.691 3.939 -10.268 555 HA MET 70 HA MET 70 -5.519 5.034 -8.809 556 HB2 MET 70 2HB MET 70 -6.059 7.164 -9.976 557 HB3 MET 70 1HB MET 70 -6.051 5.818 -11.099 558 HG2 MET 70 2HG MET 70 -8.473 5.757 -11.098 559 HG3 MET 70 1HG MET 70 -8.528 7.027 -9.883 560 HE1 MET 70 3HE MET 70 -7.309 10.162 -11.868 561 HE2 MET 70 1HE MET 70 -6.335 9.108 -10.844 562 HE3 MET 70 2HE MET 70 -7.962 9.558 -10.344 563 H ALA 71 H ALA 71 -8.946 5.032 -8.539 564 HA ALA 71 HA ALA 71 -9.217 7.026 -6.493 565 HB1 ALA 71 3HB ALA 71 -11.517 6.063 -6.330 566 HB2 ALA 71 1HB ALA 71 -10.996 4.816 -7.469 567 HB3 ALA 71 2HB ALA 71 -11.055 6.502 -7.985 568 H THR 72 H THR 72 -8.942 3.549 -6.733 569 HA THR 72 HA THR 72 -9.377 2.849 -4.087 570 HB THR 72 HB THR 72 -7.732 1.506 -6.255 571 HG1 THR 72 HG1 THR 72 -10.359 0.920 -5.406 572 HG21 THR 72 3HG2 THR 72 -7.144 0.568 -4.007 573 HG22 THR 72 1HG2 THR 72 -8.082 -0.600 -4.923 574 HG23 THR 72 2HG2 THR 72 -8.854 0.316 -3.672 575 H TRP 73 H TRP 73 -6.407 3.859 -5.767 576 HA TRP 73 HA TRP 73 -4.690 3.281 -3.593 577 HB2 TRP 73 2HB TRP 73 -4.033 3.611 -6.042 578 HB3 TRP 73 1HB TRP 73 -4.175 5.337 -5.762 579 HD1 TRP 73 HD1 TRP 73 -2.176 6.503 -4.404 580 HE1 TRP 73 HE1 TRP 73 0.171 5.791 -3.771 581 HE3 TRP 73 HE3 TRP 73 -2.577 1.521 -5.411 582 HZ2 TRP 73 HZ2 TRP 73 1.704 3.450 -3.739 583 HZ3 TRP 73 HZ3 TRP 73 -0.566 0.120 -5.071 584 HH2 TRP 73 HH2 TRP 73 1.507 1.071 -4.257 585 H LYS 74 H LYS 74 -6.493 6.231 -4.554 586 HA LYS 74 HA LYS 74 -5.620 8.000 -2.587 587 HB2 LYS 74 2HB LYS 74 -8.463 7.707 -3.568 588 HB3 LYS 74 1HB LYS 74 -7.759 9.133 -2.833 589 HG2 LYS 74 2HG LYS 74 -6.289 9.315 -4.828 590 HG3 LYS 74 1HG LYS 74 -7.210 7.973 -5.537 591 HD2 LYS 74 2HD LYS 74 -9.246 9.377 -5.045 592 HD3 LYS 74 1HD LYS 74 -8.066 10.649 -4.658 593 HE2 LYS 74 2HE LYS 74 -7.136 10.555 -6.838 594 HE3 LYS 74 1HE LYS 74 -8.189 9.205 -7.270 595 HZ1 LYS 74 3HZ LYS 74 -8.978 11.405 -8.116 596 HZ2 LYS 74 1HZ LYS 74 -9.167 11.906 -6.537 597 HZ3 LYS 74 2HZ LYS 74 -10.093 10.633 -7.139 598 H SER 75 H SER 75 -8.392 5.721 -2.434 599 HA SER 75 HA SER 75 -9.115 6.208 0.107 600 HB2 SER 75 2HB SER 75 -9.209 3.768 -1.612 601 HB3 SER 75 1HB SER 75 -10.197 4.071 -0.190 602 HG SER 75 HG SER 75 -10.495 6.194 -1.557 603 H PHE 76 H PHE 76 -6.787 4.006 -1.265 604 HA PHE 76 HA PHE 76 -6.105 2.545 0.995 605 HB2 PHE 76 2HB PHE 76 -5.455 1.879 -1.257 606 HB3 PHE 76 1HB PHE 76 -4.378 3.232 -1.397 607 HD1 PHE 76 HD2 PHE 76 -4.964 0.194 0.621 608 HD2 PHE 76 HD1 PHE 76 -2.166 3.091 -0.703 609 HE1 PHE 76 HE2 PHE 76 -3.150 -1.120 1.626 610 HE2 PHE 76 HE1 PHE 76 -0.335 1.801 0.309 611 HZ PHE 76 HZ PHE 76 -0.838 -0.338 1.470 612 H ILE 77 H ILE 77 -4.540 5.567 -0.348 613 HA ILE 77 HA ILE 77 -2.685 5.552 1.765 614 HB ILE 77 HB ILE 77 -3.545 7.825 -0.005 615 HG12 ILE 77 2HG1 ILE 77 -2.733 5.941 -1.340 616 HG13 ILE 77 1HG1 ILE 77 -1.569 7.258 -1.373 617 HG21 ILE 77 1HG2 ILE 77 -0.978 7.411 1.553 618 HG22 ILE 77 2HG2 ILE 77 -2.326 8.424 2.069 619 HG23 ILE 77 3HG2 ILE 77 -1.431 8.837 0.607 620 HD11 ILE 77 3HD1 ILE 77 -0.439 5.144 -1.193 621 HD12 ILE 77 1HD1 ILE 77 -1.361 4.737 0.260 622 HD13 ILE 77 2HD1 ILE 77 -0.221 6.071 0.297 623 H ASN 78 H ASN 78 -5.823 6.904 1.301 624 HA ASN 78 HA ASN 78 -6.019 8.713 3.423 625 HB2 ASN 78 2HB ASN 78 -7.735 8.379 1.645 626 HB3 ASN 78 1HB ASN 78 -8.168 6.848 2.398 627 HD21 ASN 78 1HD2 ASN 78 -10.251 7.506 2.794 628 HD22 ASN 78 2HD2 ASN 78 -10.637 8.680 4.003 629 H ASP 79 H ASP 79 -6.688 5.224 3.345 630 HA ASP 79 HA ASP 79 -7.186 5.054 6.164 631 HB2 ASP 79 2HB ASP 79 -6.772 2.948 4.050 632 HB3 ASP 79 1HB ASP 79 -6.788 2.575 5.773 633 H LEU 80 H LEU 80 -4.443 4.484 4.103 634 HA LEU 80 HA LEU 80 -2.563 3.278 5.712 635 HB2 LEU 80 2HB LEU 80 -2.388 3.878 3.319 636 HB3 LEU 80 1HB LEU 80 -2.256 5.527 3.726 637 HG LEU 80 HG LEU 80 -0.171 4.720 2.939 638 HD11 LEU 80 1HD1 LEU 80 0.083 5.196 5.881 639 HD12 LEU 80 2HD1 LEU 80 0.019 6.405 4.606 640 HD13 LEU 80 3HD1 LEU 80 1.387 5.289 4.688 641 HD21 LEU 80 3HD2 LEU 80 -0.329 2.731 5.119 642 HD22 LEU 80 1HD2 LEU 80 1.075 2.988 4.059 643 HD23 LEU 80 2HD2 LEU 80 -0.489 2.466 3.379 644 H CYS 81 H CYS 81 -3.139 6.714 5.345 645 HA CYS 81 HA CYS 81 -1.299 7.523 7.352 646 HB2 CYS 81 2HB CYS 81 -3.679 9.045 6.342 647 HB3 CYS 81 1HB CYS 81 -2.284 9.723 7.168 648 HG CYS 81 HG CYS 81 -2.404 8.362 4.056 649 H PHE 82 H PHE 82 -4.797 7.025 7.400 650 HA PHE 82 HA PHE 82 -5.367 8.110 9.928 651 HB2 PHE 82 2HB PHE 82 -7.050 7.486 8.099 652 HB3 PHE 82 1HB PHE 82 -6.805 5.838 8.587 653 HD1 PHE 82 HD1 PHE 82 -8.070 9.084 9.802 654 HD2 PHE 82 HD2 PHE 82 -7.873 4.884 10.457 655 HE1 PHE 82 HE1 PHE 82 -9.797 9.270 11.549 656 HE2 PHE 82 HE2 PHE 82 -9.595 5.067 12.198 657 HZ PHE 82 HZ PHE 82 -10.560 7.265 12.745 658 H GLU 83 H GLU 83 -4.917 4.773 8.915 659 HA GLU 83 HA GLU 83 -5.294 3.667 11.460 660 HB2 GLU 83 2HB GLU 83 -4.300 2.639 8.882 661 HB3 GLU 83 1HB GLU 83 -4.323 1.642 10.331 662 HG2 GLU 83 2HG GLU 83 -6.711 3.068 9.206 663 HG3 GLU 83 1HG GLU 83 -6.280 1.396 8.914 664 H LEU 84 H LEU 84 -2.413 4.475 9.588 665 HA LEU 84 HA LEU 84 -0.784 3.094 11.478 666 HB2 LEU 84 2HB LEU 84 0.044 4.780 9.133 667 HB3 LEU 84 1HB LEU 84 1.113 3.779 10.097 668 HG LEU 84 HG LEU 84 -1.156 2.786 8.368 669 HD11 LEU 84 1HD1 LEU 84 0.602 1.803 7.004 670 HD12 LEU 84 2HD1 LEU 84 1.804 2.534 8.059 671 HD13 LEU 84 3HD1 LEU 84 0.749 3.560 7.091 672 HD21 LEU 84 3HD2 LEU 84 -0.317 0.547 8.869 673 HD22 LEU 84 1HD2 LEU 84 -0.895 1.360 10.321 674 HD23 LEU 84 2HD2 LEU 84 0.839 1.229 10.017 675 H ASP 85 H ASP 85 -1.493 6.527 10.807 676 HA ASP 85 HA ASP 85 -0.840 7.180 13.459 677 HB2 ASP 85 2HB ASP 85 1.492 6.876 12.532 678 HB3 ASP 85 1HB ASP 85 1.200 8.227 11.453 679 H VAL 86 H VAL 86 0.071 9.476 11.031 680 HA VAL 86 HA VAL 86 -2.581 10.624 10.764 681 HB VAL 86 HB VAL 86 -1.660 12.933 11.150 682 HG11 VAL 86 1HG1 VAL 86 -2.690 11.892 13.059 683 HG12 VAL 86 2HG1 VAL 86 -1.342 12.915 13.559 684 HG13 VAL 86 3HG1 VAL 86 -1.152 11.163 13.515 685 HG21 VAL 86 3HG2 VAL 86 0.567 13.280 12.104 686 HG22 VAL 86 1HG2 VAL 86 0.663 12.510 10.518 687 HG23 VAL 86 2HG2 VAL 86 0.887 11.550 11.981 688 HA PRO 87 HA PRO 87 -1.063 11.265 6.482 689 HB2 PRO 87 2HB PRO 87 -0.868 14.094 6.361 690 HB3 PRO 87 1HB PRO 87 -2.238 13.125 5.815 691 HG2 PRO 87 2HG PRO 87 -1.847 14.579 8.387 692 HG3 PRO 87 1HG PRO 87 -3.337 14.302 7.468 693 HD2 PRO 87 2HD PRO 87 -2.877 12.931 9.695 694 HD3 PRO 87 1HD PRO 87 -3.582 12.134 8.283 695 H LEU 88 H LEU 88 0.989 10.523 6.496 696 HA LEU 88 HA LEU 88 3.058 11.100 8.140 697 HB2 LEU 88 2HB LEU 88 3.742 10.413 5.340 698 HB3 LEU 88 1HB LEU 88 4.314 9.715 6.828 699 HG LEU 88 HG LEU 88 3.211 8.002 5.809 700 HD11 LEU 88 1HD1 LEU 88 1.209 7.400 6.997 701 HD12 LEU 88 2HD1 LEU 88 1.106 9.026 7.635 702 HD13 LEU 88 3HD1 LEU 88 2.491 8.005 8.051 703 HD21 LEU 88 3HD2 LEU 88 2.238 9.167 3.972 704 HD22 LEU 88 1HD2 LEU 88 0.952 9.817 4.981 705 HD23 LEU 88 2HD2 LEU 88 1.044 8.086 4.679 706 H ASP 89 H ASP 89 2.629 12.281 4.859 707 HA ASP 89 HA ASP 89 3.798 14.852 5.410 708 HB2 ASP 89 2HB ASP 89 5.789 13.419 4.826 709 HB3 ASP 89 1HB ASP 89 4.981 12.939 3.343 710 H MET 90 H MET 90 1.378 14.308 5.143 711 HA MET 90 HA MET 90 -0.591 14.554 4.103 712 HB2 MET 90 2HB MET 90 1.030 15.455 1.704 713 HB3 MET 90 1HB MET 90 -0.720 15.413 1.729 714 HG2 MET 90 2HG MET 90 -0.705 17.069 3.540 715 HG3 MET 90 1HG MET 90 1.058 17.115 3.455 716 HE1 MET 90 3HE MET 90 -0.068 20.533 1.877 717 HE2 MET 90 1HE MET 90 0.895 19.764 3.139 718 HE3 MET 90 2HE MET 90 -0.865 19.656 3.180 719 H GLU 91 H GLU 91 -1.997 13.343 2.912 720 HA GLU 91 HA GLU 91 -1.063 10.716 2.301 721 HB2 GLU 91 2HB GLU 91 -3.436 10.294 1.619 722 HB3 GLU 91 1HB GLU 91 -3.245 10.846 3.277 723 HG2 GLU 91 2HG GLU 91 -4.028 12.668 1.006 724 HG3 GLU 91 1HG GLU 91 -5.209 11.757 1.943 725 H ILE 92 H ILE 92 -1.826 13.494 0.561 726 HA ILE 92 HA ILE 92 -2.433 12.394 -1.934 727 HB ILE 92 HB ILE 92 -1.496 15.120 -1.058 728 HG12 ILE 92 2HG1 ILE 92 -3.619 14.653 -0.136 729 HG13 ILE 92 1HG1 ILE 92 -3.870 15.753 -1.484 730 HG21 ILE 92 1HG2 ILE 92 -0.865 14.905 -3.298 731 HG22 ILE 92 2HG2 ILE 92 -2.200 16.059 -3.133 732 HG23 ILE 92 3HG2 ILE 92 -2.503 14.432 -3.770 733 HD11 ILE 92 3HD1 ILE 92 -5.569 14.077 -1.431 734 HD12 ILE 92 1HD1 ILE 92 -4.369 12.788 -1.499 735 HD13 ILE 92 2HD1 ILE 92 -4.574 13.875 -2.873 736 HA PRO 93 HA PRO 93 2.278 13.175 -3.310 737 HB2 PRO 93 2HB PRO 93 3.434 12.548 -0.629 738 HB3 PRO 93 1HB PRO 93 4.049 13.631 -1.882 739 HG2 PRO 93 2HG PRO 93 2.877 14.641 0.282 740 HG3 PRO 93 1HG PRO 93 2.555 15.343 -1.311 741 HD2 PRO 93 2HD PRO 93 0.798 13.608 0.333 742 HD3 PRO 93 1HD PRO 93 0.432 14.956 -0.748 743 H LEU 94 H LEU 94 1.314 11.080 -0.698 744 HA LEU 94 HA LEU 94 2.703 8.746 -1.541 745 HB2 LEU 94 2HB LEU 94 0.480 9.268 0.383 746 HB3 LEU 94 1HB LEU 94 0.947 7.632 -0.015 747 HG LEU 94 HG LEU 94 1.819 8.329 2.098 748 HD11 LEU 94 1HD1 LEU 94 3.948 8.019 0.012 749 HD12 LEU 94 2HD1 LEU 94 3.083 6.747 0.887 750 HD13 LEU 94 3HD1 LEU 94 4.175 7.838 1.754 751 HD21 LEU 94 3HD2 LEU 94 3.584 10.075 2.261 752 HD22 LEU 94 1HD2 LEU 94 1.994 10.710 1.828 753 HD23 LEU 94 2HD2 LEU 94 3.227 10.521 0.589 754 H VAL 95 H VAL 95 -0.522 10.054 -2.151 755 HA VAL 95 HA VAL 95 -1.140 7.638 -3.475 756 HB VAL 95 HB VAL 95 -3.039 8.738 -2.327 757 HG11 VAL 95 1HG1 VAL 95 -2.668 10.626 -2.143 758 HG12 VAL 95 2HG1 VAL 95 -4.197 10.337 -3.011 759 HG13 VAL 95 3HG1 VAL 95 -2.788 11.057 -3.905 760 HG21 VAL 95 3HG2 VAL 95 -4.667 8.867 -4.158 761 HG22 VAL 95 1HG2 VAL 95 -3.799 7.326 -4.084 762 HG23 VAL 95 2HG2 VAL 95 -3.323 8.571 -5.255 763 H SER 96 H SER 96 -0.292 10.674 -4.273 764 HA SER 96 HA SER 96 -0.635 10.823 -6.994 765 HB2 SER 96 2HB SER 96 0.183 12.718 -5.705 766 HB3 SER 96 1HB SER 96 1.705 11.895 -5.414 767 HG SER 96 HG SER 96 2.078 11.939 -7.667 768 H ILE 97 H ILE 97 1.654 8.901 -5.257 769 HA ILE 97 HA ILE 97 3.536 8.493 -7.332 770 HB ILE 97 HB ILE 97 3.811 8.101 -4.782 771 HG12 ILE 97 2HG1 ILE 97 4.842 5.954 -6.630 772 HG13 ILE 97 1HG1 ILE 97 5.458 7.602 -6.617 773 HG21 ILE 97 1HG2 ILE 97 2.706 5.375 -5.566 774 HG22 ILE 97 2HG2 ILE 97 1.864 6.518 -4.579 775 HG23 ILE 97 3HG2 ILE 97 3.375 5.798 -3.985 776 HD11 ILE 97 3HD1 ILE 97 5.565 5.615 -4.371 777 HD12 ILE 97 1HD1 ILE 97 6.030 7.313 -4.247 778 HD13 ILE 97 2HD1 ILE 97 6.901 6.262 -5.346 779 H TRP 98 H TRP 98 0.530 7.098 -6.499 780 HA TRP 98 HA TRP 98 -0.430 5.135 -6.901 781 HB2 TRP 98 2HB TRP 98 -1.442 6.908 -8.146 782 HB3 TRP 98 1HB TRP 98 -0.453 6.519 -9.556 783 HD1 TRP 98 HD1 TRP 98 -2.351 4.158 -7.260 784 HE1 TRP 98 HE1 TRP 98 -4.068 2.827 -8.701 785 HE3 TRP 98 HE3 TRP 98 -1.498 6.430 -11.632 786 HZ2 TRP 98 HZ2 TRP 98 -4.897 2.804 -11.394 787 HZ3 TRP 98 HZ3 TRP 98 -2.763 5.734 -13.645 788 HH2 TRP 98 HH2 TRP 98 -4.427 3.961 -13.521 789 H GLY 99 H GLY 99 1.093 3.600 -6.540 790 HA2 GLY 99 2HA GLY 99 1.404 1.393 -7.342 791 HA3 GLY 99 1HA GLY 99 1.543 2.049 -8.968 792 HA PRO 100 HA PRO 100 5.824 1.504 -7.350 793 HB2 PRO 100 2HB PRO 100 6.354 -0.703 -8.997 794 HB3 PRO 100 1HB PRO 100 5.930 -0.765 -7.288 795 HG2 PRO 100 2HG PRO 100 4.386 -1.719 -9.447 796 HG3 PRO 100 1HG PRO 100 3.856 -1.555 -7.763 797 HD2 PRO 100 2HD PRO 100 3.431 0.236 -10.093 798 HD3 PRO 100 1HD PRO 100 2.367 -0.086 -8.705 799 H ARG 101 H ARG 101 5.031 3.350 -9.198 800 HA ARG 101 HA ARG 101 6.724 2.874 -11.512 801 HB2 ARG 101 2HB ARG 101 5.626 4.890 -12.538 802 HB3 ARG 101 1HB ARG 101 4.539 3.559 -12.216 803 HG2 ARG 101 2HG ARG 101 3.773 4.736 -10.176 804 HG3 ARG 101 1HG ARG 101 4.820 6.086 -10.608 805 HD2 ARG 101 2HD ARG 101 3.576 6.344 -12.727 806 HD3 ARG 101 1HD ARG 101 2.513 5.024 -12.245 807 HE ARG 101 HE ARG 101 2.549 6.912 -10.213 808 HH11 ARG 101 1HH1 ARG 101 1.253 6.515 -13.460 809 HH12 ARG 101 2HH1 ARG 101 0.033 7.699 -13.315 810 HH21 ARG 101 1HH2 ARG 101 0.880 8.600 -9.981 811 HH22 ARG 101 2HH2 ARG 101 -0.184 8.916 -11.272
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