NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
473245 | 2k0m | 15652 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 -3.875 -1.363 0.878 2 H1 MET 1 1H MET 1 -2.952 0.843 0.575 3 H2 MET 1 2H MET 1 -1.792 0.234 -0.495 4 H3 MET 1 3H MET 1 -1.783 -0.245 1.127 5 HB2 MET 1 2HB MET 1 -3.698 -0.604 -2.051 6 HB3 MET 1 1HB MET 1 -4.985 -1.526 -1.280 7 HG2 MET 1 2HG MET 1 -4.317 1.382 -0.863 8 HG3 MET 1 1HG MET 1 -5.757 0.709 -1.627 9 HE1 MET 1 3HE MET 1 -7.020 2.343 1.754 10 HE2 MET 1 1HE MET 1 -7.149 2.381 -0.005 11 HE3 MET 1 2HE MET 1 -5.660 2.907 0.784 12 H ALA 2 H ALA 2 -2.185 -1.666 -2.248 13 HA ALA 2 HA ALA 2 -1.552 -4.435 -1.667 14 HB1 ALA 2 3HB ALA 2 -2.324 -3.790 -3.903 15 HB2 ALA 2 1HB ALA 2 -0.719 -4.517 -3.961 16 HB3 ALA 2 2HB ALA 2 -0.899 -2.768 -4.102 17 H LYS 3 H LYS 3 -0.177 -3.811 0.196 18 HA LYS 3 HA LYS 3 2.617 -3.457 -0.647 19 HB2 LYS 3 2HB LYS 3 1.833 -1.234 0.058 20 HB3 LYS 3 1HB LYS 3 1.290 -1.899 1.591 21 HG2 LYS 3 2HG LYS 3 3.363 -0.758 1.944 22 HG3 LYS 3 1HG LYS 3 3.643 -2.490 2.122 23 HD2 LYS 3 2HD LYS 3 5.463 -1.565 0.858 24 HD3 LYS 3 1HD LYS 3 4.472 -2.527 -0.241 25 HE2 LYS 3 2HE LYS 3 3.333 -0.419 -0.947 26 HE3 LYS 3 1HE LYS 3 4.486 0.480 0.040 27 HZ1 LYS 3 3HZ LYS 3 6.278 -0.523 -1.312 28 HZ2 LYS 3 1HZ LYS 3 5.233 0.457 -2.211 29 HZ3 LYS 3 2HZ LYS 3 5.105 -1.225 -2.307 30 H ALA 4 H ALA 4 3.887 -4.976 0.254 31 HA ALA 4 HA ALA 4 2.883 -6.739 2.293 32 HB1 ALA 4 3HB ALA 4 5.645 -6.584 1.083 33 HB2 ALA 4 1HB ALA 4 4.315 -7.578 0.491 34 HB3 ALA 4 2HB ALA 4 5.020 -7.900 2.076 35 H GLN 5 H GLN 5 2.540 -5.423 4.099 36 HA GLN 5 HA GLN 5 4.777 -4.006 5.314 37 HB2 GLN 5 2HB GLN 5 1.870 -4.331 6.069 38 HB3 GLN 5 1HB GLN 5 3.025 -3.496 7.099 39 HG2 GLN 5 2HG GLN 5 2.321 -2.720 4.271 40 HG3 GLN 5 1HG GLN 5 1.697 -1.955 5.730 41 HE21 GLN 5 1HE2 GLN 5 3.111 -0.698 6.998 42 HE22 GLN 5 2HE2 GLN 5 4.589 -0.073 6.354 43 HA PRO 6 HA PRO 6 5.965 -7.107 8.307 44 HB2 PRO 6 2HB PRO 6 6.118 -5.652 10.639 45 HB3 PRO 6 1HB PRO 6 7.360 -5.644 9.383 46 HG2 PRO 6 2HG PRO 6 5.153 -3.676 9.877 47 HG3 PRO 6 1HG PRO 6 6.854 -3.372 9.469 48 HD2 PRO 6 2HD PRO 6 4.915 -3.208 7.615 49 HD3 PRO 6 1HD PRO 6 6.527 -3.843 7.215 50 H ILE 7 H ILE 7 5.194 -8.363 10.094 51 HA ILE 7 HA ILE 7 2.331 -8.502 10.160 52 HB ILE 7 HB ILE 7 4.424 -10.130 11.629 53 HG12 ILE 7 2HG1 ILE 7 3.646 -11.934 10.033 54 HG13 ILE 7 1HG1 ILE 7 2.717 -10.705 9.185 55 HG21 ILE 7 1HG2 ILE 7 2.372 -10.119 12.933 56 HG22 ILE 7 2HG2 ILE 7 2.608 -11.698 12.184 57 HG23 ILE 7 3HG2 ILE 7 1.435 -10.567 11.506 58 HD11 ILE 7 3HD1 ILE 7 4.768 -9.530 8.616 59 HD12 ILE 7 1HD1 ILE 7 4.829 -11.205 8.071 60 HD13 ILE 7 2HD1 ILE 7 5.713 -10.717 9.517 61 H GLU 8 H GLU 8 1.293 -6.956 11.308 62 HA GLU 8 HA GLU 8 2.333 -6.084 13.888 63 HB2 GLU 8 2HB GLU 8 1.490 -4.398 12.297 64 HB3 GLU 8 1HB GLU 8 -0.101 -5.148 12.351 65 HG2 GLU 8 2HG GLU 8 -0.177 -4.665 14.798 66 HG3 GLU 8 1HG GLU 8 1.335 -3.777 14.621 67 H ILE 9 H ILE 9 1.734 -7.010 15.722 68 HA ILE 9 HA ILE 9 -1.059 -7.906 16.051 69 HB ILE 9 HB ILE 9 1.356 -9.332 17.209 70 HG12 ILE 9 2HG1 ILE 9 -0.596 -10.245 15.071 71 HG13 ILE 9 1HG1 ILE 9 1.069 -9.755 14.782 72 HG21 ILE 9 1HG2 ILE 9 -0.289 -10.980 18.020 73 HG22 ILE 9 2HG2 ILE 9 -1.596 -9.964 17.412 74 HG23 ILE 9 3HG2 ILE 9 -0.561 -9.382 18.716 75 HD11 ILE 9 3HD1 ILE 9 0.823 -12.174 14.785 76 HD12 ILE 9 1HD1 ILE 9 0.195 -12.117 16.432 77 HD13 ILE 9 2HD1 ILE 9 1.861 -11.637 16.106 78 H ALA 10 H ALA 10 -1.957 -6.545 17.481 79 HA ALA 10 HA ALA 10 -2.323 -5.249 19.323 80 HB1 ALA 10 3HB ALA 10 -1.763 -7.339 20.509 81 HB2 ALA 10 1HB ALA 10 -1.280 -5.907 21.420 82 HB3 ALA 10 2HB ALA 10 -0.070 -6.848 20.548 83 H GLY 11 H GLY 11 -0.408 -4.340 17.284 84 HA2 GLY 11 2HA GLY 11 0.654 -2.228 17.140 85 HA3 GLY 11 1HA GLY 11 0.972 -2.283 18.865 86 H HIS 12 H HIS 12 1.982 -5.149 18.430 87 HA HIS 12 HA HIS 12 4.752 -4.439 18.120 88 HD1 HIS 12 HD1 HIS 12 5.965 -6.061 20.821 89 HD2 HIS 12 HD2 HIS 12 1.828 -6.237 20.505 90 HE1 HIS 12 HE1 HIS 12 5.101 -5.775 23.157 91 HE2 HIS 12 HE2 HIS 12 2.600 -5.742 22.924 92 HB2 HIS 12 2HB HIS 12 3.482 -7.182 18.342 93 HB3 HIS 12 1HB HIS 12 5.193 -6.819 18.534 94 H GLU 13 H GLU 13 5.768 -4.249 16.211 95 HA GLU 13 HA GLU 13 4.590 -5.514 13.833 96 HB2 GLU 13 2HB GLU 13 6.064 -3.925 12.564 97 HB3 GLU 13 1HB GLU 13 4.849 -3.152 13.573 98 HG2 GLU 13 2HG GLU 13 6.569 -2.730 15.287 99 HG3 GLU 13 1HG GLU 13 7.776 -3.463 14.232 100 H PHE 14 H PHE 14 5.388 -7.519 13.563 101 HA PHE 14 HA PHE 14 8.233 -8.061 13.982 102 HD1 PHE 14 HD1 PHE 14 8.538 -10.330 15.826 103 HD2 PHE 14 HD2 PHE 14 4.483 -9.256 15.087 104 HE1 PHE 14 HE1 PHE 14 8.066 -10.475 18.234 105 HE2 PHE 14 HE2 PHE 14 4.004 -9.400 17.494 106 HZ PHE 14 HZ PHE 14 5.795 -10.008 19.072 107 HB2 PHE 14 2HB PHE 14 5.935 -9.907 13.278 108 HB3 PHE 14 1HB PHE 14 7.592 -10.429 13.578 109 H ALA 15 H ALA 15 9.674 -8.533 12.372 110 HA ALA 15 HA ALA 15 8.971 -7.564 9.739 111 HB1 ALA 15 3HB ALA 15 11.360 -7.765 9.262 112 HB2 ALA 15 1HB ALA 15 11.599 -8.605 10.795 113 HB3 ALA 15 2HB ALA 15 11.078 -6.920 10.785 114 H ARG 16 H ARG 16 8.375 -10.485 10.990 115 HA ARG 16 HA ARG 16 8.322 -11.807 8.436 116 HE ARG 16 HE ARG 16 12.073 -13.126 7.446 117 HB2 ARG 16 2HB ARG 16 10.719 -12.061 9.204 118 HB3 ARG 16 1HB ARG 16 10.121 -12.994 10.567 119 HG2 ARG 16 2HG ARG 16 10.843 -14.565 8.975 120 HG3 ARG 16 1HG ARG 16 9.081 -14.565 8.878 121 HD2 ARG 16 2HD ARG 16 10.014 -14.598 6.644 122 HD3 ARG 16 1HD ARG 16 9.220 -13.047 6.924 123 HH11 ARG 16 1HH1 ARG 16 9.586 -12.364 5.177 124 HH12 ARG 16 2HH1 ARG 16 10.608 -11.332 4.247 125 HH21 ARG 16 1HH2 ARG 16 13.361 -11.813 6.244 126 HH22 ARG 16 2HH2 ARG 16 12.725 -11.029 4.839 127 H LYS 17 H LYS 17 7.013 -13.696 8.445 128 HA LYS 17 HA LYS 17 5.039 -13.958 10.418 129 HB2 LYS 17 2HB LYS 17 4.586 -14.728 8.208 130 HB3 LYS 17 1HB LYS 17 5.971 -15.804 8.209 131 HG2 LYS 17 2HG LYS 17 3.678 -16.255 10.098 132 HG3 LYS 17 1HG LYS 17 3.583 -16.782 8.418 133 HD2 LYS 17 2HD LYS 17 5.750 -18.034 8.814 134 HD3 LYS 17 1HD LYS 17 5.555 -17.666 10.528 135 HE2 LYS 17 2HE LYS 17 4.686 -19.852 10.190 136 HE3 LYS 17 1HE LYS 17 3.300 -18.785 10.409 137 HZ1 LYS 17 3HZ LYS 17 3.001 -18.753 8.008 138 HZ2 LYS 17 1HZ LYS 17 2.957 -20.335 8.595 139 HZ3 LYS 17 2HZ LYS 17 4.337 -19.765 7.805 140 H ALA 18 H ALA 18 7.983 -15.906 9.880 141 HA ALA 18 HA ALA 18 7.641 -17.606 12.128 142 HB1 ALA 18 3HB ALA 18 9.993 -18.205 11.787 143 HB2 ALA 18 1HB ALA 18 10.179 -16.851 10.672 144 HB3 ALA 18 2HB ALA 18 9.102 -18.187 10.266 145 H ASP 19 H ASP 19 8.833 -14.361 11.827 146 HA ASP 19 HA ASP 19 10.303 -14.210 14.258 147 HB2 ASP 19 2HB ASP 19 10.541 -12.614 12.367 148 HB3 ASP 19 1HB ASP 19 8.927 -12.003 12.696 149 H ALA 20 H ALA 20 6.941 -13.431 13.392 150 HA ALA 20 HA ALA 20 6.049 -12.581 15.921 151 HB1 ALA 20 3HB ALA 20 4.479 -13.979 13.748 152 HB2 ALA 20 1HB ALA 20 4.761 -12.241 13.868 153 HB3 ALA 20 2HB ALA 20 3.795 -13.064 15.093 154 H LEU 21 H LEU 21 6.204 -15.826 14.483 155 HA LEU 21 HA LEU 21 4.956 -17.244 16.579 156 HG LEU 21 HG LEU 21 5.162 -17.497 13.387 157 HB2 LEU 21 2HB LEU 21 7.103 -18.203 14.676 158 HB3 LEU 21 1HB LEU 21 6.098 -19.237 15.675 159 HD11 LEU 21 1HD1 LEU 21 6.348 -19.504 12.678 160 HD12 LEU 21 2HD1 LEU 21 4.629 -19.621 12.306 161 HD13 LEU 21 3HD1 LEU 21 5.294 -20.499 13.684 162 HD21 LEU 21 3HD2 LEU 21 3.469 -17.544 15.134 163 HD22 LEU 21 1HD2 LEU 21 3.566 -19.303 15.212 164 HD23 LEU 21 2HD2 LEU 21 2.955 -18.516 13.757 165 H ALA 22 H ALA 22 8.347 -16.371 16.041 166 HA ALA 22 HA ALA 22 9.568 -17.826 18.062 167 HB1 ALA 22 3HB ALA 22 10.790 -16.563 16.350 168 HB2 ALA 22 1HB ALA 22 11.366 -16.184 17.974 169 HB3 ALA 22 2HB ALA 22 10.312 -15.051 17.125 170 H PHE 23 H PHE 23 8.279 -14.495 18.277 171 HA PHE 23 HA PHE 23 8.827 -13.942 20.931 172 HD1 PHE 23 HD1 PHE 23 8.658 -11.102 21.426 173 HD2 PHE 23 HD2 PHE 23 4.764 -12.797 21.056 174 HE1 PHE 23 HE1 PHE 23 7.887 -9.741 23.323 175 HE2 PHE 23 HE2 PHE 23 3.992 -11.437 22.953 176 HZ PHE 23 HZ PHE 23 5.551 -9.907 24.090 177 HB2 PHE 23 2HB PHE 23 7.929 -12.280 19.368 178 HB3 PHE 23 1HB PHE 23 6.383 -13.119 19.332 179 H MET 24 H MET 24 5.908 -15.526 19.628 180 HA MET 24 HA MET 24 4.649 -15.902 22.129 181 HB2 MET 24 2HB MET 24 4.269 -17.290 19.474 182 HB3 MET 24 1HB MET 24 3.271 -17.632 20.882 183 HG2 MET 24 2HG MET 24 2.589 -15.266 20.948 184 HG3 MET 24 1HG MET 24 3.546 -14.969 19.499 185 HE1 MET 24 3HE MET 24 2.915 -15.741 17.105 186 HE2 MET 24 1HE MET 24 1.627 -16.889 16.741 187 HE3 MET 24 2HE MET 24 3.056 -17.420 17.630 188 H LYS 25 H LYS 25 6.823 -18.004 20.258 189 HA LYS 25 HA LYS 25 6.575 -20.275 21.931 190 HB2 LYS 25 2HB LYS 25 7.543 -20.402 19.671 191 HB3 LYS 25 1HB LYS 25 8.930 -19.459 20.210 192 HG2 LYS 25 2HG LYS 25 9.469 -21.259 21.836 193 HG3 LYS 25 1HG LYS 25 8.138 -22.210 21.176 194 HD2 LYS 25 2HD LYS 25 9.238 -22.231 18.986 195 HD3 LYS 25 1HD LYS 25 10.560 -21.258 19.638 196 HE2 LYS 25 2HE LYS 25 9.782 -24.033 20.549 197 HE3 LYS 25 1HE LYS 25 11.165 -23.628 19.534 198 HZ1 LYS 25 3HZ LYS 25 11.865 -23.924 21.803 199 HZ2 LYS 25 1HZ LYS 25 10.751 -22.777 22.353 200 HZ3 LYS 25 2HZ LYS 25 12.047 -22.303 21.378 201 H VAL 26 H VAL 26 8.731 -17.467 22.071 202 HA VAL 26 HA VAL 26 10.512 -18.357 24.035 203 HB VAL 26 HB VAL 26 9.525 -15.536 23.537 204 HG11 VAL 26 1HG1 VAL 26 10.490 -15.709 25.771 205 HG12 VAL 26 2HG1 VAL 26 11.577 -14.818 24.705 206 HG13 VAL 26 3HG1 VAL 26 11.921 -16.500 25.112 207 HG21 VAL 26 3HG2 VAL 26 11.598 -15.284 22.262 208 HG22 VAL 26 1HG2 VAL 26 10.614 -16.588 21.601 209 HG23 VAL 26 2HG2 VAL 26 12.022 -16.964 22.594 210 H MET 27 H MET 27 7.618 -16.282 24.584 211 HA MET 27 HA MET 27 7.722 -16.526 27.393 212 HB2 MET 27 2HB MET 27 5.416 -15.654 27.397 213 HB3 MET 27 1HB MET 27 6.482 -14.718 26.362 214 HG2 MET 27 2HG MET 27 5.556 -15.809 24.391 215 HG3 MET 27 1HG MET 27 4.507 -16.789 25.417 216 HE1 MET 27 3HE MET 27 2.371 -16.013 24.054 217 HE2 MET 27 1HE MET 27 3.355 -15.001 22.995 218 HE3 MET 27 2HE MET 27 1.931 -14.328 23.785 219 H LEU 28 H LEU 28 5.971 -18.418 24.951 220 HA LEU 28 HA LEU 28 4.423 -20.057 26.554 221 HG LEU 28 HG LEU 28 4.953 -22.807 25.158 222 HB2 LEU 28 2HB LEU 28 4.356 -20.037 24.100 223 HB3 LEU 28 1HB LEU 28 5.933 -20.797 24.039 224 HD11 LEU 28 1HD1 LEU 28 2.522 -23.050 25.234 225 HD12 LEU 28 2HD1 LEU 28 2.329 -21.383 24.690 226 HD13 LEU 28 3HD1 LEU 28 3.059 -21.719 26.260 227 HD21 LEU 28 3HD2 LEU 28 3.676 -21.961 22.552 228 HD22 LEU 28 1HD2 LEU 28 3.772 -23.614 23.161 229 HD23 LEU 28 2HD2 LEU 28 5.246 -22.742 22.743 230 H ASN 29 H ASN 29 7.792 -20.621 25.533 231 HA ASN 29 HA ASN 29 8.165 -23.028 26.990 232 HB2 ASN 29 2HB ASN 29 10.096 -21.023 25.814 233 HB3 ASN 29 1HB ASN 29 10.639 -22.487 26.628 234 HD21 ASN 29 1HD2 ASN 29 7.714 -22.473 24.731 235 HD22 ASN 29 2HD2 ASN 29 8.334 -23.434 23.440 236 H ARG 30 H ARG 30 8.135 -19.745 27.982 237 HA ARG 30 HA ARG 30 9.754 -20.159 30.353 238 HE ARG 30 HE ARG 30 12.952 -17.450 30.454 239 HB2 ARG 30 2HB ARG 30 8.796 -17.897 28.850 240 HB3 ARG 30 1HB ARG 30 8.357 -17.695 30.539 241 HG2 ARG 30 2HG ARG 30 10.485 -16.651 30.097 242 HG3 ARG 30 1HG ARG 30 10.698 -18.021 31.183 243 HD2 ARG 30 2HD ARG 30 11.429 -19.393 29.254 244 HD3 ARG 30 1HD ARG 30 11.283 -17.970 28.218 245 HH11 ARG 30 1HH1 ARG 30 12.972 -19.028 27.382 246 HH12 ARG 30 2HH1 ARG 30 14.677 -18.826 27.186 247 HH21 ARG 30 1HH2 ARG 30 15.122 -17.216 30.173 248 HH22 ARG 30 2HH2 ARG 30 15.869 -17.812 28.733 249 H TYR 31 H TYR 31 6.540 -20.769 29.548 250 HA TYR 31 HA TYR 31 5.729 -20.681 32.388 251 HD1 TYR 31 HD1 TYR 31 3.405 -19.098 33.089 252 HD2 TYR 31 HD2 TYR 31 4.592 -18.621 29.028 253 HE1 TYR 31 HE1 TYR 31 3.158 -16.661 33.307 254 HE2 TYR 31 HE2 TYR 31 4.348 -16.185 29.236 255 HH TYR 31 HH TYR 31 3.441 -14.510 30.537 256 HB2 TYR 31 2HB TYR 31 4.055 -20.801 29.869 257 HB3 TYR 31 1HB TYR 31 3.390 -21.011 31.484 258 H ARG 32 H ARG 32 4.371 -22.513 33.143 259 HA ARG 32 HA ARG 32 5.367 -25.080 32.075 260 HE ARG 32 HE ARG 32 4.784 -23.483 36.409 261 HB2 ARG 32 2HB ARG 32 4.209 -24.453 34.803 262 HB3 ARG 32 1HB ARG 32 4.890 -25.992 34.304 263 HG2 ARG 32 2HG ARG 32 7.088 -25.033 34.135 264 HG3 ARG 32 1HG ARG 32 6.446 -23.415 34.435 265 HD2 ARG 32 2HD ARG 32 6.433 -25.738 36.371 266 HD3 ARG 32 1HD ARG 32 7.462 -24.308 36.458 267 HH11 ARG 32 1HH1 ARG 32 6.958 -25.127 38.509 268 HH12 ARG 32 2HH1 ARG 32 6.135 -24.605 39.936 269 HH21 ARG 32 1HH2 ARG 32 3.764 -22.797 38.233 270 HH22 ARG 32 2HH2 ARG 32 4.366 -23.277 39.785 271 HA PRO 33 HA PRO 33 1.387 -26.398 30.735 272 HB2 PRO 33 2HB PRO 33 1.093 -28.943 31.682 273 HB3 PRO 33 1HB PRO 33 2.198 -28.509 30.371 274 HG2 PRO 33 2HG PRO 33 2.784 -28.883 33.293 275 HG3 PRO 33 1HG PRO 33 3.671 -29.509 31.890 276 HD2 PRO 33 2HD PRO 33 4.517 -27.339 33.215 277 HD3 PRO 33 1HD PRO 33 4.672 -27.455 31.449 278 H GLY 34 H GLY 34 1.521 -25.309 33.728 279 HA2 GLY 34 2HA GLY 34 -1.348 -25.737 34.144 280 HA3 GLY 34 1HA GLY 34 -0.274 -26.190 35.458 281 H ASP 35 H ASP 35 0.850 -23.504 33.680 282 HA ASP 35 HA ASP 35 0.066 -21.734 35.903 283 HB2 ASP 35 2HB ASP 35 2.399 -21.602 33.983 284 HB3 ASP 35 1HB ASP 35 2.008 -20.326 35.135 285 H ILE 36 H ILE 36 -0.692 -19.650 35.541 286 HA ILE 36 HA ILE 36 -2.168 -19.300 33.063 287 HB ILE 36 HB ILE 36 -2.102 -17.570 35.550 288 HG12 ILE 36 2HG1 ILE 36 -2.996 -19.829 35.976 289 HG13 ILE 36 1HG1 ILE 36 -4.258 -18.610 36.098 290 HG21 ILE 36 1HG2 ILE 36 -3.991 -17.510 33.187 291 HG22 ILE 36 2HG2 ILE 36 -2.796 -16.280 33.602 292 HG23 ILE 36 3HG2 ILE 36 -4.172 -16.566 34.667 293 HD11 ILE 36 3HD1 ILE 36 -5.069 -19.213 33.881 294 HD12 ILE 36 1HD1 ILE 36 -5.043 -20.608 34.960 295 HD13 ILE 36 2HD1 ILE 36 -3.789 -20.419 33.736 296 H VAL 37 H VAL 37 -1.758 -17.820 31.501 297 HA VAL 37 HA VAL 37 0.839 -16.667 31.301 298 HB VAL 37 HB VAL 37 -1.594 -16.101 29.584 299 HG11 VAL 37 1HG1 VAL 37 1.352 -15.789 28.973 300 HG12 VAL 37 2HG1 VAL 37 0.217 -14.476 29.283 301 HG13 VAL 37 3HG1 VAL 37 0.020 -15.490 27.854 302 HG21 VAL 37 3HG2 VAL 37 0.547 -18.208 29.236 303 HG22 VAL 37 1HG2 VAL 37 -0.749 -17.854 28.093 304 HG23 VAL 37 2HG2 VAL 37 -1.132 -18.503 29.688 305 H SER 38 H SER 38 1.517 -14.543 31.503 306 HA SER 38 HA SER 38 0.213 -12.820 33.293 307 HG SER 38 HG SER 38 2.771 -10.378 32.532 308 HB2 SER 38 2HB SER 38 2.619 -12.680 32.924 309 HB3 SER 38 1HB SER 38 2.363 -12.185 31.251 310 H THR 39 H THR 39 -0.747 -10.729 32.976 311 HA THR 39 HA THR 39 -2.748 -10.619 31.015 312 HB THR 39 HB THR 39 -1.600 -8.337 32.649 313 HG1 THR 39 HG1 THR 39 -4.051 -9.646 33.161 314 HG21 THR 39 3HG2 THR 39 -2.874 -7.494 30.723 315 HG22 THR 39 1HG2 THR 39 -3.740 -7.200 32.231 316 HG23 THR 39 2HG2 THR 39 -4.238 -8.519 31.171 317 H VAL 40 H VAL 40 0.478 -9.177 31.062 318 HA VAL 40 HA VAL 40 0.224 -7.491 28.825 319 HB VAL 40 HB VAL 40 2.723 -8.910 29.786 320 HG11 VAL 40 1HG1 VAL 40 3.003 -7.982 27.547 321 HG12 VAL 40 2HG1 VAL 40 3.936 -7.058 28.723 322 HG13 VAL 40 3HG1 VAL 40 2.414 -6.415 28.106 323 HG21 VAL 40 3HG2 VAL 40 1.602 -6.212 30.569 324 HG22 VAL 40 1HG2 VAL 40 3.167 -6.856 31.066 325 HG23 VAL 40 2HG2 VAL 40 1.682 -7.647 31.592 326 H ASP 41 H ASP 41 1.581 -10.793 29.015 327 HA ASP 41 HA ASP 41 1.915 -11.150 26.231 328 HB2 ASP 41 2HB ASP 41 1.468 -13.320 28.295 329 HB3 ASP 41 1HB ASP 41 2.285 -13.483 26.743 330 H GLY 42 H GLY 42 -0.723 -11.975 28.445 331 HA2 GLY 42 2HA GLY 42 -2.408 -13.368 26.710 332 HA3 GLY 42 1HA GLY 42 -2.945 -12.414 28.084 333 H ALA 43 H ALA 43 -2.162 -9.862 27.262 334 HA ALA 43 HA ALA 43 -4.266 -9.031 25.612 335 HB1 ALA 43 3HB ALA 43 -3.160 -6.857 25.566 336 HB2 ALA 43 1HB ALA 43 -1.669 -7.588 26.161 337 HB3 ALA 43 2HB ALA 43 -3.103 -7.550 27.187 338 H PHE 44 H PHE 44 -0.926 -9.847 24.832 339 HA PHE 44 HA PHE 44 -1.006 -9.137 22.084 340 HD1 PHE 44 HD2 PHE 44 1.849 -8.600 21.216 341 HD2 PHE 44 HD1 PHE 44 0.916 -12.740 21.621 342 HE1 PHE 44 HE2 PHE 44 3.025 -9.073 19.110 343 HE2 PHE 44 HE1 PHE 44 2.092 -13.212 19.513 344 HZ PHE 44 HZ PHE 44 3.149 -11.378 18.256 345 HB2 PHE 44 2HB PHE 44 1.089 -9.510 23.339 346 HB3 PHE 44 1HB PHE 44 0.689 -11.214 23.505 347 H LEU 45 H LEU 45 -1.517 -12.203 23.797 348 HA LEU 45 HA LEU 45 -2.042 -13.866 21.617 349 HG LEU 45 HG LEU 45 -0.606 -14.265 24.205 350 HB2 LEU 45 2HB LEU 45 -3.080 -13.970 24.453 351 HB3 LEU 45 1HB LEU 45 -3.310 -15.264 23.288 352 HD11 LEU 45 1HD1 LEU 45 -2.130 -16.725 25.070 353 HD12 LEU 45 2HD1 LEU 45 -1.818 -15.297 26.060 354 HD13 LEU 45 3HD1 LEU 45 -0.477 -16.310 25.528 355 HD21 LEU 45 3HD2 LEU 45 -1.424 -16.684 22.588 356 HD22 LEU 45 1HD2 LEU 45 0.211 -16.333 23.154 357 HD23 LEU 45 2HD2 LEU 45 -0.565 -15.263 21.988 358 H VAL 46 H VAL 46 -4.282 -11.814 23.471 359 HA VAL 46 HA VAL 46 -6.700 -12.642 22.371 360 HB VAL 46 HB VAL 46 -5.895 -9.841 23.206 361 HG11 VAL 46 1HG1 VAL 46 -8.317 -9.410 23.434 362 HG12 VAL 46 2HG1 VAL 46 -8.651 -10.983 22.708 363 HG13 VAL 46 3HG1 VAL 46 -7.845 -9.728 21.766 364 HG21 VAL 46 3HG2 VAL 46 -7.058 -10.387 25.305 365 HG22 VAL 46 1HG2 VAL 46 -5.700 -11.473 25.009 366 HG23 VAL 46 2HG2 VAL 46 -7.349 -12.022 24.713 367 H GLU 47 H GLU 47 -4.599 -9.982 21.202 368 HA GLU 47 HA GLU 47 -6.157 -9.469 18.880 369 HB2 GLU 47 2HB GLU 47 -3.248 -8.793 19.388 370 HB3 GLU 47 1HB GLU 47 -4.269 -8.085 18.143 371 HG2 GLU 47 2HG GLU 47 -4.583 -7.786 21.128 372 HG3 GLU 47 1HG GLU 47 -4.056 -6.552 19.988 373 H ALA 48 H ALA 48 -3.336 -11.527 19.479 374 HA ALA 48 HA ALA 48 -2.863 -12.338 16.817 375 HB1 ALA 48 3HB ALA 48 -2.411 -13.959 19.329 376 HB2 ALA 48 1HB ALA 48 -1.295 -12.754 18.686 377 HB3 ALA 48 2HB ALA 48 -1.646 -14.212 17.759 378 H LEU 49 H LEU 49 -5.202 -13.379 19.203 379 HA LEU 49 HA LEU 49 -6.190 -15.619 17.709 380 HG LEU 49 HG LEU 49 -9.164 -15.275 18.763 381 HB2 LEU 49 2HB LEU 49 -6.470 -15.496 20.123 382 HB3 LEU 49 1HB LEU 49 -7.384 -14.007 19.973 383 HD11 LEU 49 1HD1 LEU 49 -9.163 -17.715 18.875 384 HD12 LEU 49 2HD1 LEU 49 -7.540 -17.688 19.567 385 HD13 LEU 49 3HD1 LEU 49 -7.808 -17.114 17.921 386 HD21 LEU 49 3HD2 LEU 49 -10.051 -16.380 20.766 387 HD22 LEU 49 1HD2 LEU 49 -9.369 -14.796 21.136 388 HD23 LEU 49 2HD2 LEU 49 -8.465 -16.258 21.531 389 H LYS 50 H LYS 50 -7.423 -12.333 18.324 390 HA LYS 50 HA LYS 50 -9.776 -12.419 16.873 391 HB2 LYS 50 2HB LYS 50 -7.909 -10.106 17.409 392 HB3 LYS 50 1HB LYS 50 -9.517 -9.911 16.720 393 HG2 LYS 50 2HG LYS 50 -10.571 -10.617 18.699 394 HG3 LYS 50 1HG LYS 50 -9.081 -11.303 19.350 395 HD2 LYS 50 2HD LYS 50 -9.677 -9.187 20.451 396 HD3 LYS 50 1HD LYS 50 -8.134 -9.079 19.604 397 HE2 LYS 50 2HE LYS 50 -9.321 -7.996 17.702 398 HE3 LYS 50 1HE LYS 50 -10.798 -8.004 18.666 399 HZ1 LYS 50 3HZ LYS 50 -8.266 -6.617 19.365 400 HZ2 LYS 50 1HZ LYS 50 -9.659 -6.650 20.325 401 HZ3 LYS 50 2HZ LYS 50 -9.689 -5.883 18.820 402 H ARG 51 H ARG 51 -6.529 -12.121 15.604 403 HA ARG 51 HA ARG 51 -7.383 -11.157 13.027 404 HE ARG 51 HE ARG 51 -2.695 -12.767 11.724 405 HB2 ARG 51 2HB ARG 51 -5.080 -11.456 12.320 406 HB3 ARG 51 1HB ARG 51 -5.146 -10.637 13.874 407 HG2 ARG 51 2HG ARG 51 -4.540 -12.704 15.010 408 HG3 ARG 51 1HG ARG 51 -4.524 -13.564 13.468 409 HD2 ARG 51 2HD ARG 51 -2.716 -11.279 14.276 410 HD3 ARG 51 1HD ARG 51 -2.257 -12.977 14.120 411 HH11 ARG 51 1HH1 ARG 51 -2.190 -9.862 13.519 412 HH12 ARG 51 2HH1 ARG 51 -1.840 -8.929 12.112 413 HH21 ARG 51 1HH2 ARG 51 -2.270 -11.559 9.940 414 HH22 ARG 51 2HH2 ARG 51 -1.915 -9.872 10.097 415 H HIS 52 H HIS 52 -8.233 -13.908 14.274 416 HA HIS 52 HA HIS 52 -7.873 -15.465 11.787 417 HD1 HIS 52 HD1 HIS 52 -6.067 -15.576 15.361 418 HD2 HIS 52 HD2 HIS 52 -6.021 -18.236 12.171 419 HE1 HIS 52 HE1 HIS 52 -3.684 -16.320 15.140 420 HE2 HIS 52 HE2 HIS 52 -3.657 -17.775 13.092 421 HB2 HIS 52 2HB HIS 52 -8.417 -16.405 14.615 422 HB3 HIS 52 1HB HIS 52 -8.490 -17.459 13.205 423 HA PRO 53 HA PRO 53 -12.197 -14.854 10.911 424 HB2 PRO 53 2HB PRO 53 -12.705 -17.250 9.612 425 HB3 PRO 53 1HB PRO 53 -11.973 -15.831 8.859 426 HG2 PRO 53 2HG PRO 53 -10.652 -18.279 9.971 427 HG3 PRO 53 1HG PRO 53 -10.280 -17.380 8.487 428 HD2 PRO 53 2HD PRO 53 -8.788 -17.100 10.699 429 HD3 PRO 53 1HD PRO 53 -9.127 -15.714 9.639 430 H ASP 54 H ASP 54 -11.086 -17.682 12.642 431 HA ASP 54 HA ASP 54 -13.715 -18.569 13.436 432 HB2 ASP 54 2HB ASP 54 -11.040 -19.384 14.593 433 HB3 ASP 54 1HB ASP 54 -12.564 -20.261 14.712 434 H ALA 55 H ALA 55 -12.126 -15.883 14.329 435 HA ALA 55 HA ALA 55 -11.621 -15.754 16.980 436 HB1 ALA 55 3HB ALA 55 -13.114 -13.634 15.438 437 HB2 ALA 55 1HB ALA 55 -11.367 -13.876 15.424 438 HB3 ALA 55 2HB ALA 55 -12.177 -13.389 16.913 439 H THR 56 H THR 56 -14.890 -15.069 15.668 440 HA THR 56 HA THR 56 -16.201 -14.725 18.101 441 HB THR 56 HB THR 56 -17.293 -14.142 16.010 442 HG1 THR 56 HG1 THR 56 -18.675 -14.611 17.773 443 HG21 THR 56 3HG2 THR 56 -17.513 -17.117 15.497 444 HG22 THR 56 1HG2 THR 56 -16.480 -15.995 14.609 445 HG23 THR 56 2HG2 THR 56 -18.235 -15.841 14.515 446 H SER 57 H SER 57 -15.585 -17.734 16.338 447 HA SER 57 HA SER 57 -17.207 -19.400 17.986 448 HG SER 57 HG SER 57 -17.352 -20.737 15.271 449 HB2 SER 57 2HB SER 57 -14.875 -20.183 16.210 450 HB3 SER 57 1HB SER 57 -16.098 -21.277 16.857 451 H LYS 58 H LYS 58 -13.771 -18.558 18.012 452 HA LYS 58 HA LYS 58 -13.029 -20.448 20.025 453 HB2 LYS 58 2HB LYS 58 -11.552 -17.897 19.339 454 HB3 LYS 58 1HB LYS 58 -10.884 -19.371 20.022 455 HG2 LYS 58 2HG LYS 58 -12.012 -19.082 17.242 456 HG3 LYS 58 1HG LYS 58 -10.301 -19.078 17.662 457 HD2 LYS 58 2HD LYS 58 -12.164 -21.388 18.232 458 HD3 LYS 58 1HD LYS 58 -11.176 -21.262 16.777 459 HE2 LYS 58 2HE LYS 58 -9.153 -21.168 18.194 460 HE3 LYS 58 1HE LYS 58 -10.169 -21.373 19.623 461 HZ1 LYS 58 3HZ LYS 58 -9.922 -23.317 17.389 462 HZ2 LYS 58 1HZ LYS 58 -10.878 -23.515 18.769 463 HZ3 LYS 58 2HZ LYS 58 -9.198 -23.467 18.906 464 H ILE 59 H ILE 59 -13.751 -16.977 20.079 465 HA ILE 59 HA ILE 59 -13.099 -16.614 22.842 466 HB ILE 59 HB ILE 59 -14.615 -14.812 20.939 467 HG12 ILE 59 2HG1 ILE 59 -11.703 -14.788 21.787 468 HG13 ILE 59 1HG1 ILE 59 -12.304 -15.353 20.233 469 HG21 ILE 59 1HG2 ILE 59 -14.093 -13.000 22.506 470 HG22 ILE 59 2HG2 ILE 59 -13.363 -14.163 23.614 471 HG23 ILE 59 3HG2 ILE 59 -15.091 -14.239 23.268 472 HD11 ILE 59 3HD1 ILE 59 -13.110 -13.093 19.738 473 HD12 ILE 59 1HD1 ILE 59 -11.373 -13.137 20.036 474 HD13 ILE 59 2HD1 ILE 59 -12.466 -12.536 21.284 475 H GLY 60 H GLY 60 -16.229 -16.685 21.089 476 HA2 GLY 60 2HA GLY 60 -18.339 -17.240 21.865 477 HA3 GLY 60 1HA GLY 60 -17.612 -17.719 23.390 478 HA PRO 61 HA PRO 61 -19.661 -13.929 24.779 479 HB2 PRO 61 2HB PRO 61 -19.437 -14.314 27.417 480 HB3 PRO 61 1HB PRO 61 -20.521 -15.316 26.441 481 HG2 PRO 61 2HG PRO 61 -17.753 -15.936 27.429 482 HG3 PRO 61 1HG PRO 61 -19.202 -16.960 27.462 483 HD2 PRO 61 2HD PRO 61 -17.249 -17.157 25.545 484 HD3 PRO 61 1HD PRO 61 -18.945 -17.599 25.262 485 H GLY 62 H GLY 62 -16.386 -14.911 25.498 486 HA2 GLY 62 2HA GLY 62 -15.034 -12.631 25.173 487 HA3 GLY 62 1HA GLY 62 -15.700 -12.384 26.779 488 H VAL 63 H VAL 63 -12.914 -12.557 26.017 489 HA VAL 63 HA VAL 63 -11.946 -15.120 26.968 490 HB VAL 63 HB VAL 63 -10.403 -12.582 26.367 491 HG11 VAL 63 1HG1 VAL 63 -9.424 -15.424 26.705 492 HG12 VAL 63 2HG1 VAL 63 -9.209 -14.118 27.870 493 HG13 VAL 63 3HG1 VAL 63 -8.433 -14.024 26.290 494 HG21 VAL 63 3HG2 VAL 63 -9.824 -13.686 24.236 495 HG22 VAL 63 1HG2 VAL 63 -11.557 -13.392 24.381 496 HG23 VAL 63 2HG2 VAL 63 -10.914 -15.014 24.640 497 H ARG 64 H ARG 64 -11.623 -15.617 29.053 498 HA ARG 64 HA ARG 64 -11.682 -13.509 31.074 499 HE ARG 64 HE ARG 64 -12.999 -14.992 35.518 500 HB2 ARG 64 2HB ARG 64 -13.035 -15.630 31.272 501 HB3 ARG 64 1HB ARG 64 -11.523 -16.500 31.500 502 HG2 ARG 64 2HG ARG 64 -11.066 -15.209 33.514 503 HG3 ARG 64 1HG ARG 64 -12.552 -14.287 33.272 504 HD2 ARG 64 2HD ARG 64 -13.822 -16.432 33.424 505 HD3 ARG 64 1HD ARG 64 -12.312 -17.243 33.842 506 HH11 ARG 64 1HH1 ARG 64 -13.171 -18.407 35.086 507 HH12 ARG 64 2HH1 ARG 64 -13.563 -18.708 36.744 508 HH21 ARG 64 1HH2 ARG 64 -13.454 -15.388 37.645 509 HH22 ARG 64 2HH2 ARG 64 -13.701 -17.014 38.181 510 H ASN 65 H ASN 65 -9.559 -16.219 30.121 511 HA ASN 65 HA ASN 65 -7.198 -14.670 30.493 512 HB2 ASN 65 2HB ASN 65 -6.175 -15.959 32.321 513 HB3 ASN 65 1HB ASN 65 -7.634 -15.138 32.865 514 HD21 ASN 65 1HD2 ASN 65 -9.422 -16.346 33.430 515 HD22 ASN 65 2HD2 ASN 65 -9.354 -18.056 33.654 516 H PHE 66 H PHE 66 -5.186 -16.211 30.386 517 HA PHE 66 HA PHE 66 -5.752 -18.447 28.533 518 HD1 PHE 66 HD1 PHE 66 -5.043 -14.634 27.929 519 HD2 PHE 66 HD2 PHE 66 -4.774 -18.173 25.572 520 HE1 PHE 66 HE1 PHE 66 -6.214 -13.496 26.091 521 HE2 PHE 66 HE2 PHE 66 -5.943 -17.039 23.731 522 HZ PHE 66 HZ PHE 66 -6.667 -14.698 23.986 523 HB2 PHE 66 2HB PHE 66 -3.475 -16.449 28.489 524 HB3 PHE 66 1HB PHE 66 -3.461 -17.939 27.555 525 H GLU 67 H GLU 67 -4.849 -20.390 29.014 526 HA GLU 67 HA GLU 67 -2.779 -20.486 31.129 527 HB2 GLU 67 2HB GLU 67 -4.918 -21.424 31.912 528 HB3 GLU 67 1HB GLU 67 -4.940 -22.534 30.547 529 HG2 GLU 67 2HG GLU 67 -2.882 -23.588 31.390 530 HG3 GLU 67 1HG GLU 67 -2.899 -22.494 32.771 531 H VAL 68 H VAL 68 -0.940 -21.637 30.713 532 HA VAL 68 HA VAL 68 -0.590 -22.748 28.040 533 HB VAL 68 HB VAL 68 1.374 -22.435 30.328 534 HG11 VAL 68 1HG1 VAL 68 3.119 -22.994 28.704 535 HG12 VAL 68 2HG1 VAL 68 1.890 -23.293 27.474 536 HG13 VAL 68 3HG1 VAL 68 1.984 -24.329 28.898 537 HG21 VAL 68 3HG2 VAL 68 2.339 -20.646 28.936 538 HG22 VAL 68 1HG2 VAL 68 0.668 -20.302 29.384 539 HG23 VAL 68 2HG2 VAL 68 1.045 -20.872 27.758 540 H ARG 69 H ARG 69 -1.149 -24.806 27.666 541 HA ARG 69 HA ARG 69 -0.500 -26.848 29.690 542 HE ARG 69 HE ARG 69 -3.859 -30.482 30.592 543 HB2 ARG 69 2HB ARG 69 -2.944 -26.181 29.782 544 HB3 ARG 69 1HB ARG 69 -3.113 -26.829 28.158 545 HG2 ARG 69 2HG ARG 69 -2.533 -29.045 28.936 546 HG3 ARG 69 1HG ARG 69 -2.211 -28.422 30.557 547 HD2 ARG 69 2HD ARG 69 -4.594 -27.689 30.680 548 HD3 ARG 69 1HD ARG 69 -4.875 -28.480 29.128 549 HH11 ARG 69 1HH1 ARG 69 -6.349 -28.201 31.306 550 HH12 ARG 69 2HH1 ARG 69 -7.216 -29.304 32.318 551 HH21 ARG 69 1HH2 ARG 69 -4.984 -31.880 31.905 552 HH22 ARG 69 2HH2 ARG 69 -6.451 -31.353 32.656 553 H SER 70 H SER 70 -0.415 -29.066 28.766 554 HA SER 70 HA SER 70 1.257 -29.098 26.500 555 HG SER 70 HG SER 70 -0.282 -31.863 28.866 556 HB2 SER 70 2HB SER 70 1.146 -31.560 26.671 557 HB3 SER 70 1HB SER 70 1.411 -30.809 28.244 558 H ALA 71 H ALA 71 0.916 -29.460 24.371 559 HA ALA 71 HA ALA 71 -1.783 -29.473 23.345 560 HB1 ALA 71 3HB ALA 71 0.019 -28.199 22.248 561 HB2 ALA 71 1HB ALA 71 -0.740 -29.355 21.152 562 HB3 ALA 71 2HB ALA 71 0.836 -29.711 21.857 563 H ASP 72 H ASP 72 1.006 -31.675 22.967 564 HA ASP 72 HA ASP 72 -0.859 -33.943 22.940 565 HB2 ASP 72 2HB ASP 72 0.718 -34.957 21.134 566 HB3 ASP 72 1HB ASP 72 -0.505 -33.788 20.649 567 H TYR 73 H TYR 73 2.696 -33.648 22.556 568 HA TYR 73 HA TYR 73 3.047 -35.010 25.143 569 HD1 TYR 73 HD1 TYR 73 2.872 -37.926 25.205 570 HD2 TYR 73 HD2 TYR 73 2.662 -36.508 21.194 571 HE1 TYR 73 HE1 TYR 73 1.104 -39.568 24.721 572 HE2 TYR 73 HE2 TYR 73 0.893 -38.140 20.702 573 HH TYR 73 HH TYR 73 0.115 -40.325 21.580 574 HB2 TYR 73 2HB TYR 73 4.481 -35.849 22.600 575 HB3 TYR 73 1HB TYR 73 4.699 -36.551 24.199 576 H GLY 74 H GLY 74 4.104 -33.438 26.263 577 HA2 GLY 74 2HA GLY 74 5.941 -32.173 26.908 578 HA3 GLY 74 1HA GLY 74 6.749 -32.637 25.421 579 H THR 75 H THR 75 4.736 -31.681 23.631 580 HA THR 75 HA THR 75 5.544 -29.029 23.233 581 HB THR 75 HB THR 75 3.736 -28.910 21.538 582 HG1 THR 75 HG1 THR 75 2.448 -30.867 21.276 583 HG21 THR 75 3HG2 THR 75 5.866 -29.981 20.948 584 HG22 THR 75 1HG2 THR 75 4.517 -30.763 20.121 585 HG23 THR 75 2HG2 THR 75 5.252 -31.530 21.528 586 H GLN 76 H GLN 76 4.577 -27.058 23.600 587 HA GLN 76 HA GLN 76 2.388 -27.016 25.581 588 HB2 GLN 76 2HB GLN 76 4.536 -24.963 24.992 589 HB3 GLN 76 1HB GLN 76 3.258 -24.768 26.183 590 HG2 GLN 76 2HG GLN 76 4.140 -26.552 27.517 591 HG3 GLN 76 1HG GLN 76 5.313 -26.970 26.269 592 HE21 GLN 76 1HE2 GLN 76 4.441 -24.622 28.691 593 HE22 GLN 76 2HE2 GLN 76 5.982 -23.860 28.789 594 H CYS 77 H CYS 77 0.623 -25.635 25.287 595 HA CYS 77 HA CYS 77 0.587 -23.808 23.013 596 HG CYS 77 HG CYS 77 1.217 -25.736 21.410 597 HB2 CYS 77 2HB CYS 77 -1.368 -26.094 23.321 598 HB3 CYS 77 1HB CYS 77 -1.706 -24.678 22.329 599 H PHE 78 H PHE 78 -1.234 -22.296 23.072 600 HA PHE 78 HA PHE 78 -1.860 -21.584 25.829 601 HD1 PHE 78 HD2 PHE 78 -0.720 -19.152 26.476 602 HD2 PHE 78 HD1 PHE 78 -0.120 -19.939 22.331 603 HE1 PHE 78 HE2 PHE 78 1.585 -18.309 26.651 604 HE2 PHE 78 HE1 PHE 78 2.183 -19.096 22.502 605 HZ PHE 78 HZ PHE 78 3.038 -18.279 24.662 606 HB2 PHE 78 2HB PHE 78 -2.289 -20.069 23.242 607 HB3 PHE 78 1HB PHE 78 -2.636 -19.436 24.846 608 H TRP 79 H TRP 79 -3.749 -21.970 26.758 609 HA TRP 79 HA TRP 79 -6.052 -22.741 25.100 610 HD1 TRP 79 HD1 TRP 79 -3.232 -24.530 26.661 611 HE1 TRP 79 HE1 TRP 79 -3.137 -26.968 25.844 612 HE3 TRP 79 HE3 TRP 79 -8.246 -25.533 26.507 613 HZ2 TRP 79 HZ2 TRP 79 -4.945 -29.044 25.219 614 HZ3 TRP 79 HZ3 TRP 79 -8.978 -27.769 25.789 615 HH2 TRP 79 HH2 TRP 79 -7.362 -29.488 25.158 616 HB2 TRP 79 2HB TRP 79 -5.408 -23.254 28.012 617 HB3 TRP 79 1HB TRP 79 -6.968 -23.632 27.287 618 H ILE 80 H ILE 80 -7.860 -21.574 25.030 619 HA ILE 80 HA ILE 80 -7.941 -18.977 26.344 620 HB ILE 80 HB ILE 80 -9.947 -20.163 24.411 621 HG12 ILE 80 2HG1 ILE 80 -7.601 -18.359 23.749 622 HG13 ILE 80 1HG1 ILE 80 -7.610 -20.099 23.481 623 HG21 ILE 80 1HG2 ILE 80 -10.530 -17.814 23.968 624 HG22 ILE 80 2HG2 ILE 80 -9.363 -17.299 25.187 625 HG23 ILE 80 3HG2 ILE 80 -10.777 -18.240 25.663 626 HD11 ILE 80 3HD1 ILE 80 -9.488 -18.118 22.209 627 HD12 ILE 80 1HD1 ILE 80 -9.464 -19.858 21.921 628 HD13 ILE 80 2HD1 ILE 80 -8.088 -18.865 21.440 629 H LEU 81 H LEU 81 -8.727 -19.011 28.414 630 HA LEU 81 HA LEU 81 -10.984 -20.724 29.100 631 HG LEU 81 HG LEU 81 -8.744 -20.776 32.088 632 HB2 LEU 81 2HB LEU 81 -9.369 -18.768 30.747 633 HB3 LEU 81 1HB LEU 81 -10.736 -19.666 31.376 634 HD11 LEU 81 1HD1 LEU 81 -9.038 -22.999 31.176 635 HD12 LEU 81 2HD1 LEU 81 -9.926 -22.342 29.801 636 HD13 LEU 81 3HD1 LEU 81 -10.601 -22.221 31.426 637 HD21 LEU 81 3HD2 LEU 81 -7.030 -21.599 30.575 638 HD22 LEU 81 1HD2 LEU 81 -7.196 -19.851 30.427 639 HD23 LEU 81 2HD2 LEU 81 -7.886 -20.909 29.196 640 H ARG 82 H ARG 82 -12.990 -20.088 28.662 641 HA ARG 82 HA ARG 82 -13.590 -17.351 27.972 642 HE ARG 82 HE ARG 82 -14.456 -19.856 23.752 643 HB2 ARG 82 2HB ARG 82 -15.358 -19.800 28.150 644 HB3 ARG 82 1HB ARG 82 -15.888 -18.231 27.560 645 HG2 ARG 82 2HG ARG 82 -14.283 -18.365 25.725 646 HG3 ARG 82 1HG ARG 82 -13.726 -19.931 26.323 647 HD2 ARG 82 2HD ARG 82 -15.963 -20.866 25.972 648 HD3 ARG 82 1HD ARG 82 -16.536 -19.299 25.402 649 HH11 ARG 82 1HH1 ARG 82 -17.330 -21.543 24.638 650 HH12 ARG 82 2HH1 ARG 82 -17.433 -22.380 23.130 651 HH21 ARG 82 1HH2 ARG 82 -14.623 -20.925 21.811 652 HH22 ARG 82 2HH2 ARG 82 -15.934 -22.018 21.543 653 H THR 83 H THR 83 -15.261 -16.066 28.914 654 HA THR 83 HA THR 83 -15.172 -15.939 31.744 655 HB THR 83 HB THR 83 -16.809 -14.125 31.571 656 HG1 THR 83 HG1 THR 83 -17.478 -13.621 29.297 657 HG21 THR 83 3HG2 THR 83 -14.487 -13.586 31.059 658 HG22 THR 83 1HG2 THR 83 -15.565 -12.646 30.029 659 HG23 THR 83 2HG2 THR 83 -14.727 -14.054 29.375 660 H ASP 84 H ASP 84 -17.266 -17.687 29.619 661 HA ASP 84 HA ASP 84 -19.414 -17.983 31.518 662 HB2 ASP 84 2HB ASP 84 -20.259 -19.712 29.904 663 HB3 ASP 84 1HB ASP 84 -20.008 -18.116 29.205 664 H GLY 85 H GLY 85 -16.345 -19.252 31.423 665 HA2 GLY 85 2HA GLY 85 -15.540 -20.664 33.167 666 HA3 GLY 85 1HA GLY 85 -17.122 -21.420 33.257 667 H SER 86 H SER 86 -16.306 -21.152 30.034 668 HA SER 86 HA SER 86 -15.505 -23.976 29.925 669 HG SER 86 HG SER 86 -18.126 -22.323 28.743 670 HB2 SER 86 2HB SER 86 -16.284 -22.138 27.641 671 HB3 SER 86 1HB SER 86 -16.115 -23.892 27.573 672 H GLU 87 H GLU 87 -14.039 -24.363 27.779 673 HA GLU 87 HA GLU 87 -11.877 -22.387 27.683 674 HB2 GLU 87 2HB GLU 87 -10.137 -24.001 28.126 675 HB3 GLU 87 1HB GLU 87 -11.270 -23.999 29.468 676 HG2 GLU 87 2HG GLU 87 -11.239 -26.037 27.248 677 HG3 GLU 87 1HG GLU 87 -10.485 -26.247 28.825 678 H GLU 88 H GLU 88 -10.323 -22.784 25.954 679 HA GLU 88 HA GLU 88 -11.065 -24.668 23.857 680 HB2 GLU 88 2HB GLU 88 -11.822 -21.889 23.752 681 HB3 GLU 88 1HB GLU 88 -10.629 -22.193 22.499 682 HG2 GLU 88 2HG GLU 88 -13.075 -23.909 22.853 683 HG3 GLU 88 1HG GLU 88 -13.070 -22.451 21.862 684 H ARG 89 H ARG 89 -9.424 -24.537 22.003 685 HA ARG 89 HA ARG 89 -6.788 -23.581 22.922 686 HE ARG 89 HE ARG 89 -5.536 -27.285 20.308 687 HB2 ARG 89 2HB ARG 89 -5.787 -25.680 21.942 688 HB3 ARG 89 1HB ARG 89 -6.728 -25.920 23.408 689 HG2 ARG 89 2HG ARG 89 -8.581 -26.794 22.151 690 HG3 ARG 89 1HG ARG 89 -7.791 -26.395 20.625 691 HD2 ARG 89 2HD ARG 89 -6.670 -28.336 22.652 692 HD3 ARG 89 1HD ARG 89 -7.656 -28.813 21.270 693 HH11 ARG 89 1HH1 ARG 89 -6.008 -30.327 21.864 694 HH12 ARG 89 2HH1 ARG 89 -4.622 -31.040 21.113 695 HH21 ARG 89 1HH2 ARG 89 -3.780 -28.201 19.360 696 HH22 ARG 89 2HH2 ARG 89 -3.356 -29.840 19.722 697 H PHE 90 H PHE 90 -5.435 -22.773 21.318 698 HA PHE 90 HA PHE 90 -6.318 -23.043 18.525 699 HD1 PHE 90 HD1 PHE 90 -6.196 -20.537 21.784 700 HD2 PHE 90 HD2 PHE 90 -4.223 -19.284 18.219 701 HE1 PHE 90 HE1 PHE 90 -4.845 -18.945 23.090 702 HE2 PHE 90 HE2 PHE 90 -2.870 -17.695 19.520 703 HZ PHE 90 HZ PHE 90 -3.179 -17.521 21.958 704 HB2 PHE 90 2HB PHE 90 -6.073 -20.694 18.064 705 HB3 PHE 90 1HB PHE 90 -7.172 -20.876 19.421 706 H SER 91 H SER 91 -4.718 -23.245 17.045 707 HA SER 91 HA SER 91 -2.034 -23.678 18.047 708 HG SER 91 HG SER 91 -3.388 -26.116 15.747 709 HB2 SER 91 2HB SER 91 -3.135 -23.986 15.236 710 HB3 SER 91 1HB SER 91 -1.557 -24.542 15.790 711 H TYR 92 H TYR 92 -1.131 -21.732 18.526 712 HA TYR 92 HA TYR 92 -1.305 -19.308 17.231 713 HD1 TYR 92 HD1 TYR 92 0.294 -21.971 20.006 714 HD2 TYR 92 HD2 TYR 92 2.931 -19.574 17.670 715 HE1 TYR 92 HE1 TYR 92 2.111 -23.575 20.417 716 HE2 TYR 92 HE2 TYR 92 4.750 -21.178 18.071 717 HH TYR 92 HH TYR 92 5.389 -22.911 19.571 718 HB2 TYR 92 2HB TYR 92 0.789 -18.702 18.356 719 HB3 TYR 92 1HB TYR 92 -0.259 -19.616 19.435 720 H LYS 93 H LYS 93 0.602 -22.063 16.286 721 HA LYS 93 HA LYS 93 2.613 -20.989 14.741 722 HB2 LYS 93 2HB LYS 93 2.562 -23.133 13.485 723 HB3 LYS 93 1HB LYS 93 2.497 -23.349 15.230 724 HG2 LYS 93 2HG LYS 93 0.014 -23.599 15.031 725 HG3 LYS 93 1HG LYS 93 0.209 -23.586 13.277 726 HD2 LYS 93 2HD LYS 93 1.496 -25.569 15.166 727 HD3 LYS 93 1HD LYS 93 0.048 -25.875 14.207 728 HE2 LYS 93 2HE LYS 93 1.336 -25.565 12.148 729 HE3 LYS 93 1HE LYS 93 2.780 -25.211 13.097 730 HZ1 LYS 93 3HZ LYS 93 2.724 -27.433 13.996 731 HZ2 LYS 93 1HZ LYS 93 2.735 -27.506 12.307 732 HZ3 LYS 93 2HZ LYS 93 1.300 -27.783 13.157 733 H LYS 94 H LYS 94 -0.790 -21.195 13.945 734 HA LYS 94 HA LYS 94 -0.271 -20.293 11.189 735 HB2 LYS 94 2HB LYS 94 -2.841 -21.236 12.487 736 HB3 LYS 94 1HB LYS 94 -2.662 -20.783 10.796 737 HG2 LYS 94 2HG LYS 94 -0.965 -22.630 10.586 738 HG3 LYS 94 1HG LYS 94 -1.435 -23.145 12.209 739 HD2 LYS 94 2HD LYS 94 -3.756 -23.413 11.439 740 HD3 LYS 94 1HD LYS 94 -3.271 -22.918 9.816 741 HE2 LYS 94 2HE LYS 94 -1.657 -24.863 9.834 742 HE3 LYS 94 1HE LYS 94 -2.449 -25.402 11.316 743 HZ1 LYS 94 3HZ LYS 94 -4.556 -25.462 10.076 744 HZ2 LYS 94 1HZ LYS 94 -3.400 -26.515 9.429 745 HZ3 LYS 94 2HZ LYS 94 -3.727 -25.045 8.661 746 H CYS 95 H CYS 95 0.248 -18.412 13.225 747 HA CYS 95 HA CYS 95 -1.938 -16.707 13.804 748 HG CYS 95 HG CYS 95 2.537 -15.456 14.386 749 HB2 CYS 95 2HB CYS 95 -0.237 -15.067 14.481 750 HB3 CYS 95 1HB CYS 95 0.146 -16.667 15.110 751 H VAL 96 H VAL 96 0.361 -16.816 11.143 752 HA VAL 96 HA VAL 96 -0.922 -14.467 9.929 753 HB VAL 96 HB VAL 96 1.724 -15.723 9.183 754 HG11 VAL 96 1HG1 VAL 96 0.695 -14.541 7.314 755 HG12 VAL 96 2HG1 VAL 96 2.103 -13.662 7.905 756 HG13 VAL 96 3HG1 VAL 96 0.480 -13.105 8.317 757 HG21 VAL 96 3HG2 VAL 96 2.744 -13.772 10.290 758 HG22 VAL 96 1HG2 VAL 96 1.831 -14.772 11.419 759 HG23 VAL 96 2HG2 VAL 96 1.146 -13.256 10.833 760 H LEU 97 H LEU 97 0.851 -17.046 8.234 761 HA LEU 97 HA LEU 97 -1.560 -18.045 6.939 762 HG LEU 97 HG LEU 97 -1.415 -15.184 6.132 763 HB2 LEU 97 2HB LEU 97 0.576 -16.508 5.464 764 HB3 LEU 97 1HB LEU 97 -0.475 -17.647 4.644 765 HD11 LEU 97 1HD1 LEU 97 -1.902 -14.275 3.908 766 HD12 LEU 97 2HD1 LEU 97 -1.168 -15.695 3.163 767 HD13 LEU 97 3HD1 LEU 97 -0.178 -14.586 4.113 768 HD21 LEU 97 3HD2 LEU 97 -3.582 -15.661 5.116 769 HD22 LEU 97 1HD2 LEU 97 -3.057 -17.011 6.121 770 HD23 LEU 97 2HD2 LEU 97 -2.926 -17.116 4.365 771 H GLU 98 H GLU 98 -1.182 -19.930 5.582 772 HA GLU 98 HA GLU 98 1.284 -21.388 6.221 773 HB2 GLU 98 2HB GLU 98 -1.320 -22.322 4.985 774 HB3 GLU 98 1HB GLU 98 0.079 -23.359 5.227 775 HG2 GLU 98 2HG GLU 98 -0.072 -22.927 7.663 776 HG3 GLU 98 1HG GLU 98 -1.534 -21.988 7.374 777 H HIS 99 H HIS 99 -0.734 -20.588 3.389 778 HA HIS 99 HA HIS 99 -0.257 -20.216 1.198 779 HD1 HIS 99 HD1 HIS 99 0.042 -17.610 -0.055 780 HD2 HIS 99 HD2 HIS 99 3.853 -19.267 -0.140 781 HE1 HIS 99 HE1 HIS 99 1.008 -16.959 -2.275 782 HE2 HIS 99 HE2 HIS 99 3.228 -18.125 -2.374 783 HB2 HIS 99 2HB HIS 99 1.032 -18.379 2.312 784 HB3 HIS 99 1HB HIS 99 2.467 -19.392 2.241 785 H HIS 100 H HIS 100 -0.070 -22.873 1.734 786 HA HIS 100 HA HIS 100 0.586 -24.824 0.767 787 HD1 HIS 100 HD1 HIS 100 0.059 -25.649 -2.570 788 HD2 HIS 100 HD2 HIS 100 -0.645 -21.759 -1.292 789 HE1 HIS 100 HE1 HIS 100 -2.110 -24.977 -3.634 790 HE2 HIS 100 HE2 HIS 100 -2.471 -22.591 -2.921 791 HB2 HIS 100 2HB HIS 100 2.018 -22.953 -1.119 792 HB3 HIS 100 1HB HIS 100 2.000 -24.700 -1.336 793 H HIS 101 H HIS 101 2.919 -22.794 2.201 794 HA HIS 101 HA HIS 101 5.227 -24.402 1.646 795 HD1 HIS 101 HD1 HIS 101 7.208 -24.232 4.468 796 HD2 HIS 101 HD2 HIS 101 7.626 -21.500 1.359 797 HE1 HIS 101 HE1 HIS 101 9.674 -24.061 4.045 798 HE2 HIS 101 HE2 HIS 101 9.896 -22.495 2.092 799 HB2 HIS 101 2HB HIS 101 5.120 -21.883 2.277 800 HB3 HIS 101 1HB HIS 101 5.073 -22.461 3.939 801 H HIS 102 H HIS 102 2.621 -25.011 3.587 802 HA HIS 102 HA HIS 102 3.705 -26.217 5.877 803 HD1 HIS 102 HD1 HIS 102 1.219 -29.513 5.221 804 HD2 HIS 102 HD2 HIS 102 1.362 -26.568 8.145 805 HE1 HIS 102 HE1 HIS 102 0.681 -30.681 7.371 806 HE2 HIS 102 HE2 HIS 102 0.539 -28.840 9.075 807 HB2 HIS 102 2HB HIS 102 1.270 -25.806 5.422 808 HB3 HIS 102 1HB HIS 102 1.299 -27.136 4.272 809 H HIS 103 H HIS 103 5.464 -27.541 5.666 810 HA HIS 103 HA HIS 103 5.847 -29.088 3.263 811 HD1 HIS 103 HD1 HIS 103 8.227 -29.458 2.028 812 HD2 HIS 103 HD2 HIS 103 9.153 -31.072 5.747 813 HE1 HIS 103 HE1 HIS 103 9.819 -31.341 1.569 814 HE2 HIS 103 HE2 HIS 103 10.322 -32.340 3.815 815 HB2 HIS 103 2HB HIS 103 7.734 -27.895 4.255 816 HB3 HIS 103 1HB HIS 103 7.580 -28.843 5.732 817 H HIS 104 H HIS 104 5.436 -31.156 2.935 818 HA HIS 104 HA HIS 104 5.276 -32.994 5.241 819 HD1 HIS 104 HD1 HIS 104 3.865 -35.369 2.057 820 HD2 HIS 104 HD2 HIS 104 2.644 -34.971 6.007 821 HE1 HIS 104 HE1 HIS 104 3.246 -37.683 2.801 822 HE2 HIS 104 HE2 HIS 104 2.703 -37.444 5.243 823 HB2 HIS 104 2HB HIS 104 3.011 -32.648 4.464 824 HB3 HIS 104 1HB HIS 104 3.488 -32.926 2.793 Start of MODEL 2 1 HA MET 1 HA MET 1 2.979 1.233 1.223 2 H1 MET 1 1H MET 1 0.716 1.419 0.457 3 H2 MET 1 2H MET 1 0.763 1.465 2.146 4 H3 MET 1 3H MET 1 0.260 0.060 1.355 5 HB2 MET 1 2HB MET 1 2.494 0.274 3.425 6 HB3 MET 1 1HB MET 1 1.943 -1.218 2.677 7 HG2 MET 1 2HG MET 1 4.202 -1.402 3.626 8 HG3 MET 1 1HG MET 1 4.173 -1.696 1.886 9 HE1 MET 1 3HE MET 1 7.663 0.037 2.508 10 HE2 MET 1 1HE MET 1 6.848 -1.397 1.882 11 HE3 MET 1 2HE MET 1 6.826 -1.055 3.612 12 H ALA 2 H ALA 2 4.283 0.423 -0.351 13 HA ALA 2 HA ALA 2 3.179 -1.067 -2.488 14 HB1 ALA 2 3HB ALA 2 5.421 -1.045 -3.437 15 HB2 ALA 2 1HB ALA 2 6.086 -0.527 -1.887 16 HB3 ALA 2 2HB ALA 2 5.005 0.540 -2.784 17 H LYS 3 H LYS 3 5.557 -2.005 0.003 18 HA LYS 3 HA LYS 3 5.496 -4.777 -0.897 19 HB2 LYS 3 2HB LYS 3 7.100 -3.423 1.284 20 HB3 LYS 3 1HB LYS 3 7.258 -5.116 0.828 21 HG2 LYS 3 2HG LYS 3 7.952 -4.464 -1.420 22 HG3 LYS 3 1HG LYS 3 7.772 -2.762 -0.989 23 HD2 LYS 3 2HD LYS 3 9.528 -2.988 0.696 24 HD3 LYS 3 1HD LYS 3 9.684 -4.707 0.321 25 HE2 LYS 3 2HE LYS 3 10.407 -4.171 -1.938 26 HE3 LYS 3 1HE LYS 3 10.173 -2.452 -1.628 27 HZ1 LYS 3 3HZ LYS 3 12.506 -3.185 -1.468 28 HZ2 LYS 3 1HZ LYS 3 12.096 -4.167 -0.156 29 HZ3 LYS 3 2HZ LYS 3 11.937 -2.490 -0.034 30 H ALA 4 H ALA 4 5.677 -6.366 1.165 31 HA ALA 4 HA ALA 4 3.036 -6.638 2.084 32 HB1 ALA 4 3HB ALA 4 5.525 -7.965 3.159 33 HB2 ALA 4 1HB ALA 4 4.583 -8.515 1.774 34 HB3 ALA 4 2HB ALA 4 3.865 -8.520 3.385 35 H GLN 5 H GLN 5 2.036 -6.261 4.024 36 HA GLN 5 HA GLN 5 3.188 -4.225 5.726 37 HB2 GLN 5 2HB GLN 5 1.022 -4.030 6.725 38 HB3 GLN 5 1HB GLN 5 0.780 -4.209 4.996 39 HG2 GLN 5 2HG GLN 5 0.469 -6.421 7.026 40 HG3 GLN 5 1HG GLN 5 -0.851 -5.473 6.350 41 HE21 GLN 5 1HE2 GLN 5 1.508 -7.958 5.723 42 HE22 GLN 5 2HE2 GLN 5 0.802 -8.525 4.249 43 HA PRO 6 HA PRO 6 4.541 -6.995 8.957 44 HB2 PRO 6 2HB PRO 6 4.747 -5.280 11.022 45 HB3 PRO 6 1HB PRO 6 5.823 -5.186 9.623 46 HG2 PRO 6 2HG PRO 6 3.382 -3.554 10.241 47 HG3 PRO 6 1HG PRO 6 4.962 -3.016 9.641 48 HD2 PRO 6 2HD PRO 6 2.790 -3.400 8.024 49 HD3 PRO 6 1HD PRO 6 4.465 -3.578 7.465 50 H ILE 7 H ILE 7 3.877 -8.043 10.909 51 HA ILE 7 HA ILE 7 0.997 -7.878 11.430 52 HB ILE 7 HB ILE 7 3.021 -9.965 12.304 53 HG12 ILE 7 2HG1 ILE 7 1.620 -11.454 10.773 54 HG13 ILE 7 1HG1 ILE 7 0.879 -9.981 10.159 55 HG21 ILE 7 1HG2 ILE 7 1.266 -9.751 13.974 56 HG22 ILE 7 2HG2 ILE 7 1.094 -11.272 13.099 57 HG23 ILE 7 3HG2 ILE 7 0.028 -9.917 12.729 58 HD11 ILE 7 3HD1 ILE 7 2.672 -10.823 8.718 59 HD12 ILE 7 1HD1 ILE 7 3.818 -10.628 10.041 60 HD13 ILE 7 2HD1 ILE 7 3.026 -9.214 9.345 61 H GLU 8 H GLU 8 0.567 -6.293 12.890 62 HA GLU 8 HA GLU 8 2.274 -5.985 15.261 63 HB2 GLU 8 2HB GLU 8 1.743 -3.933 14.065 64 HB3 GLU 8 1HB GLU 8 0.020 -4.260 14.197 65 HG2 GLU 8 2HG GLU 8 0.207 -4.070 16.658 66 HG3 GLU 8 1HG GLU 8 1.911 -3.659 16.471 67 H ILE 9 H ILE 9 1.742 -7.014 17.083 68 HA ILE 9 HA ILE 9 -1.118 -7.490 17.673 69 HB ILE 9 HB ILE 9 1.192 -9.289 18.458 70 HG12 ILE 9 2HG1 ILE 9 -0.982 -9.715 16.383 71 HG13 ILE 9 1HG1 ILE 9 0.715 -9.401 16.038 72 HG21 ILE 9 1HG2 ILE 9 -1.791 -9.617 18.834 73 HG22 ILE 9 2HG2 ILE 9 -0.601 -9.316 20.100 74 HG23 ILE 9 3HG2 ILE 9 -0.572 -10.836 19.209 75 HD11 ILE 9 3HD1 ILE 9 -0.381 -11.823 17.450 76 HD12 ILE 9 1HD1 ILE 9 1.322 -11.508 17.115 77 HD13 ILE 9 2HD1 ILE 9 0.190 -11.751 15.784 78 H ALA 10 H ALA 10 -1.658 -6.064 19.217 79 HA ALA 10 HA ALA 10 -1.737 -4.939 21.194 80 HB1 ALA 10 3HB ALA 10 -1.884 -7.212 22.067 81 HB2 ALA 10 1HB ALA 10 -1.018 -6.160 23.185 82 HB3 ALA 10 2HB ALA 10 -0.126 -7.296 22.173 83 H GLY 11 H GLY 11 0.108 -3.790 19.592 84 HA2 GLY 11 2HA GLY 11 1.704 -2.120 19.837 85 HA3 GLY 11 1HA GLY 11 1.935 -2.616 21.504 86 H HIS 12 H HIS 12 2.258 -5.403 19.817 87 HA HIS 12 HA HIS 12 5.182 -5.113 19.675 88 HD1 HIS 12 HD1 HIS 12 6.560 -7.161 21.781 89 HD2 HIS 12 HD2 HIS 12 2.470 -6.699 22.350 90 HE1 HIS 12 HE1 HIS 12 6.248 -6.947 24.261 91 HE2 HIS 12 HE2 HIS 12 3.792 -6.498 24.568 92 HB2 HIS 12 2HB HIS 12 3.444 -7.589 19.821 93 HB3 HIS 12 1HB HIS 12 5.200 -7.613 19.678 94 H GLU 13 H GLU 13 5.854 -4.521 17.718 95 HA GLU 13 HA GLU 13 4.384 -5.209 15.313 96 HB2 GLU 13 2HB GLU 13 6.885 -3.581 15.779 97 HB3 GLU 13 1HB GLU 13 6.161 -3.823 14.197 98 HG2 GLU 13 2HG GLU 13 4.154 -2.671 14.891 99 HG3 GLU 13 1HG GLU 13 4.779 -2.523 16.534 100 H PHE 14 H PHE 14 4.683 -7.230 14.540 101 HA PHE 14 HA PHE 14 7.416 -8.323 14.379 102 HD1 PHE 14 HD1 PHE 14 7.594 -10.055 16.263 103 HD2 PHE 14 HD2 PHE 14 3.391 -9.712 15.661 104 HE1 PHE 14 HE1 PHE 14 7.227 -10.373 18.672 105 HE2 PHE 14 HE2 PHE 14 3.020 -10.032 18.070 106 HZ PHE 14 HZ PHE 14 4.937 -10.361 19.579 107 HB2 PHE 14 2HB PHE 14 4.790 -9.734 13.823 108 HB3 PHE 14 1HB PHE 14 6.382 -10.478 13.972 109 H ALA 15 H ALA 15 8.382 -7.552 12.569 110 HA ALA 15 HA ALA 15 6.905 -6.924 10.180 111 HB1 ALA 15 3HB ALA 15 9.044 -6.219 9.268 112 HB2 ALA 15 1HB ALA 15 9.890 -6.971 10.623 113 HB3 ALA 15 2HB ALA 15 8.832 -5.587 10.901 114 H ARG 16 H ARG 16 7.631 -9.857 11.301 115 HA ARG 16 HA ARG 16 7.687 -11.052 8.660 116 HE ARG 16 HE ARG 16 11.288 -11.151 7.229 117 HB2 ARG 16 2HB ARG 16 10.083 -10.629 9.235 118 HB3 ARG 16 1HB ARG 16 9.895 -11.658 10.646 119 HG2 ARG 16 2HG ARG 16 9.592 -13.594 9.311 120 HG3 ARG 16 1HG ARG 16 9.409 -12.633 7.840 121 HD2 ARG 16 2HD ARG 16 11.925 -12.833 9.510 122 HD3 ARG 16 1HD ARG 16 11.635 -13.679 7.989 123 HH11 ARG 16 1HH1 ARG 16 13.747 -12.478 9.243 124 HH12 ARG 16 2HH1 ARG 16 14.954 -11.382 8.676 125 HH21 ARG 16 1HH2 ARG 16 12.833 -9.734 6.532 126 HH22 ARG 16 2HH2 ARG 16 14.445 -9.839 7.156 127 H LYS 17 H LYS 17 6.856 -13.133 8.616 128 HA LYS 17 HA LYS 17 4.978 -13.779 10.578 129 HB2 LYS 17 2HB LYS 17 4.619 -14.498 8.351 130 HB3 LYS 17 1HB LYS 17 6.148 -15.358 8.288 131 HG2 LYS 17 2HG LYS 17 4.203 -16.305 10.315 132 HG3 LYS 17 1HG LYS 17 3.757 -16.552 8.627 133 HD2 LYS 17 2HD LYS 17 5.901 -17.709 8.241 134 HD3 LYS 17 1HD LYS 17 6.324 -17.477 9.938 135 HE2 LYS 17 2HE LYS 17 4.464 -18.861 10.633 136 HE3 LYS 17 1HE LYS 17 3.903 -19.005 8.967 137 HZ1 LYS 17 3HZ LYS 17 5.849 -20.241 8.404 138 HZ2 LYS 17 1HZ LYS 17 5.161 -20.959 9.770 139 HZ3 LYS 17 2HZ LYS 17 6.538 -19.985 9.923 140 H ALA 18 H ALA 18 8.267 -15.012 10.169 141 HA ALA 18 HA ALA 18 8.063 -17.092 12.101 142 HB1 ALA 18 3HB ALA 18 10.537 -15.656 11.131 143 HB2 ALA 18 1HB ALA 18 9.795 -17.059 10.362 144 HB3 ALA 18 2HB ALA 18 10.490 -17.204 11.976 145 H ASP 19 H ASP 19 8.832 -13.674 12.323 146 HA ASP 19 HA ASP 19 10.032 -13.662 14.881 147 HB2 ASP 19 2HB ASP 19 10.174 -11.820 13.195 148 HB3 ASP 19 1HB ASP 19 8.494 -11.424 13.538 149 H ALA 20 H ALA 20 6.660 -13.203 13.842 150 HA ALA 20 HA ALA 20 5.476 -12.635 16.305 151 HB1 ALA 20 3HB ALA 20 4.309 -14.258 14.039 152 HB2 ALA 20 1HB ALA 20 4.278 -12.499 14.169 153 HB3 ALA 20 2HB ALA 20 3.399 -13.485 15.338 154 H LEU 21 H LEU 21 6.054 -15.813 14.798 155 HA LEU 21 HA LEU 21 4.977 -17.346 16.933 156 HG LEU 21 HG LEU 21 5.078 -17.392 13.655 157 HB2 LEU 21 2HB LEU 21 7.013 -18.200 14.865 158 HB3 LEU 21 1HB LEU 21 6.011 -19.263 15.836 159 HD11 LEU 21 1HD1 LEU 21 5.102 -20.401 13.864 160 HD12 LEU 21 2HD1 LEU 21 6.099 -19.407 12.800 161 HD13 LEU 21 3HD1 LEU 21 4.354 -19.475 12.561 162 HD21 LEU 21 3HD2 LEU 21 3.433 -17.383 15.433 163 HD22 LEU 21 1HD2 LEU 21 3.446 -19.147 15.492 164 HD23 LEU 21 2HD2 LEU 21 2.832 -18.316 14.064 165 H ALA 22 H ALA 22 8.211 -16.138 16.232 166 HA ALA 22 HA ALA 22 9.682 -17.587 18.127 167 HB1 ALA 22 3HB ALA 22 10.718 -16.219 16.370 168 HB2 ALA 22 1HB ALA 22 11.347 -15.809 17.968 169 HB3 ALA 22 2HB ALA 22 10.166 -14.756 17.186 170 H PHE 23 H PHE 23 8.053 -14.425 18.447 171 HA PHE 23 HA PHE 23 8.686 -13.985 21.156 172 HD1 PHE 23 HD1 PHE 23 8.657 -11.192 21.738 173 HD2 PHE 23 HD2 PHE 23 4.697 -12.732 21.430 174 HE1 PHE 23 HE1 PHE 23 7.998 -9.892 23.722 175 HE2 PHE 23 HE2 PHE 23 4.033 -11.434 23.410 176 HZ PHE 23 HZ PHE 23 5.684 -10.008 24.560 177 HB2 PHE 23 2HB PHE 23 7.801 -12.233 19.641 178 HB3 PHE 23 1HB PHE 23 6.235 -13.038 19.641 179 H MET 24 H MET 24 5.627 -15.212 19.756 180 HA MET 24 HA MET 24 4.296 -15.992 22.015 181 HB2 MET 24 2HB MET 24 4.391 -17.425 19.350 182 HB3 MET 24 1HB MET 24 3.194 -17.726 20.605 183 HG2 MET 24 2HG MET 24 2.439 -15.400 20.427 184 HG3 MET 24 1HG MET 24 3.617 -15.126 19.143 185 HE1 MET 24 3HE MET 24 0.205 -15.121 17.222 186 HE2 MET 24 1HE MET 24 1.702 -14.241 17.526 187 HE3 MET 24 2HE MET 24 0.536 -14.477 18.829 188 H LYS 25 H LYS 25 6.894 -17.772 20.374 189 HA LYS 25 HA LYS 25 6.764 -20.113 21.942 190 HB2 LYS 25 2HB LYS 25 8.064 -19.980 19.854 191 HB3 LYS 25 1HB LYS 25 9.189 -18.865 20.624 192 HG2 LYS 25 2HG LYS 25 9.727 -20.661 22.277 193 HG3 LYS 25 1HG LYS 25 8.727 -21.762 21.327 194 HD2 LYS 25 2HD LYS 25 10.178 -21.411 19.383 195 HD3 LYS 25 1HD LYS 25 11.169 -20.287 20.318 196 HE2 LYS 25 2HE LYS 25 11.659 -22.140 21.911 197 HE3 LYS 25 1HE LYS 25 10.779 -23.235 20.846 198 HZ1 LYS 25 3HZ LYS 25 12.376 -22.661 19.080 199 HZ2 LYS 25 1HZ LYS 25 13.113 -23.395 20.414 200 HZ3 LYS 25 2HZ LYS 25 13.245 -21.727 20.185 201 H VAL 26 H VAL 26 8.801 -17.194 22.331 202 HA VAL 26 HA VAL 26 10.172 -18.028 24.636 203 HB VAL 26 HB VAL 26 9.483 -15.193 23.826 204 HG11 VAL 26 1HG1 VAL 26 10.209 -15.299 26.148 205 HG12 VAL 26 2HG1 VAL 26 11.459 -14.554 25.150 206 HG13 VAL 26 3HG1 VAL 26 11.634 -16.228 25.681 207 HG21 VAL 26 3HG2 VAL 26 11.721 -15.176 22.789 208 HG22 VAL 26 1HG2 VAL 26 10.653 -16.363 22.040 209 HG23 VAL 26 2HG2 VAL 26 11.900 -16.888 23.170 210 H MET 27 H MET 27 7.201 -16.058 24.384 211 HA MET 27 HA MET 27 6.830 -15.745 27.179 212 HB2 MET 27 2HB MET 27 4.484 -15.113 26.560 213 HB3 MET 27 1HB MET 27 5.728 -14.228 25.687 214 HG2 MET 27 2HG MET 27 5.424 -15.885 23.813 215 HG3 MET 27 1HG MET 27 4.002 -16.465 24.673 216 HE1 MET 27 3HE MET 27 1.773 -15.219 24.868 217 HE2 MET 27 1HE MET 27 1.546 -13.512 24.496 218 HE3 MET 27 2HE MET 27 2.582 -13.990 25.840 219 H LEU 28 H LEU 28 5.610 -18.170 24.890 220 HA LEU 28 HA LEU 28 3.908 -19.543 26.687 221 HG LEU 28 HG LEU 28 4.522 -22.468 25.465 222 HB2 LEU 28 2HB LEU 28 3.778 -19.796 24.261 223 HB3 LEU 28 1HB LEU 28 5.373 -20.520 24.230 224 HD11 LEU 28 1HD1 LEU 28 2.133 -22.761 25.850 225 HD12 LEU 28 2HD1 LEU 28 1.823 -21.131 25.253 226 HD13 LEU 28 3HD1 LEU 28 2.747 -21.366 26.737 227 HD21 LEU 28 3HD2 LEU 28 2.854 -21.817 23.033 228 HD22 LEU 28 1HD2 LEU 28 3.203 -23.425 23.667 229 HD23 LEU 28 2HD2 LEU 28 4.505 -22.439 23.000 230 H ASN 29 H ASN 29 7.312 -20.026 25.831 231 HA ASN 29 HA ASN 29 7.683 -22.372 27.420 232 HB2 ASN 29 2HB ASN 29 9.618 -20.461 26.100 233 HB3 ASN 29 1HB ASN 29 10.142 -21.887 26.989 234 HD21 ASN 29 1HD2 ASN 29 7.189 -21.995 25.167 235 HD22 ASN 29 2HD2 ASN 29 7.785 -23.000 23.904 236 H ARG 30 H ARG 30 7.179 -19.259 28.413 237 HA ARG 30 HA ARG 30 8.963 -19.337 30.724 238 HE ARG 30 HE ARG 30 8.525 -15.934 33.930 239 HB2 ARG 30 2HB ARG 30 8.614 -17.186 29.647 240 HB3 ARG 30 1HB ARG 30 6.875 -17.329 29.847 241 HG2 ARG 30 2HG ARG 30 7.761 -15.777 31.463 242 HG3 ARG 30 1HG ARG 30 7.163 -17.214 32.292 243 HD2 ARG 30 2HD ARG 30 9.484 -18.067 32.421 244 HD3 ARG 30 1HD ARG 30 10.048 -16.581 31.654 245 HH11 ARG 30 1HH1 ARG 30 11.578 -17.294 33.084 246 HH12 ARG 30 2HH1 ARG 30 12.322 -16.812 34.564 247 HH21 ARG 30 1HH2 ARG 30 9.493 -15.329 35.832 248 HH22 ARG 30 2HH2 ARG 30 11.159 -15.711 36.103 249 H TYR 31 H TYR 31 5.726 -20.181 29.893 250 HA TYR 31 HA TYR 31 5.021 -20.524 32.739 251 HD1 TYR 31 HD1 TYR 31 2.857 -18.617 33.565 252 HD2 TYR 31 HD2 TYR 31 4.002 -18.229 29.482 253 HE1 TYR 31 HE1 TYR 31 2.896 -16.173 33.810 254 HE2 TYR 31 HE2 TYR 31 4.045 -15.783 29.719 255 HH TYR 31 HH TYR 31 3.190 -14.043 31.114 256 HB2 TYR 31 2HB TYR 31 3.179 -20.343 30.336 257 HB3 TYR 31 1HB TYR 31 2.667 -20.508 32.014 258 H ARG 32 H ARG 32 4.295 -22.516 33.466 259 HA ARG 32 HA ARG 32 5.156 -24.773 31.809 260 HE ARG 32 HE ARG 32 5.090 -23.024 35.931 261 HB2 ARG 32 2HB ARG 32 4.450 -24.697 34.748 262 HB3 ARG 32 1HB ARG 32 5.260 -26.008 33.900 263 HG2 ARG 32 2HG ARG 32 7.269 -24.878 33.778 264 HG3 ARG 32 1HG ARG 32 6.505 -23.290 33.895 265 HD2 ARG 32 2HD ARG 32 6.748 -25.307 36.133 266 HD3 ARG 32 1HD ARG 32 7.727 -23.849 35.944 267 HH11 ARG 32 1HH1 ARG 32 7.186 -24.625 38.133 268 HH12 ARG 32 2HH1 ARG 32 6.369 -24.004 39.524 269 HH21 ARG 32 1HH2 ARG 32 4.056 -22.231 37.703 270 HH22 ARG 32 2HH2 ARG 32 4.595 -22.686 39.286 271 HA PRO 33 HA PRO 33 1.161 -26.599 31.122 272 HB2 PRO 33 2HB PRO 33 1.479 -29.174 32.074 273 HB3 PRO 33 1HB PRO 33 2.015 -28.612 30.487 274 HG2 PRO 33 2HG PRO 33 3.591 -28.918 33.017 275 HG3 PRO 33 1HG PRO 33 4.033 -29.329 31.357 276 HD2 PRO 33 2HD PRO 33 4.964 -27.112 32.508 277 HD3 PRO 33 1HD PRO 33 4.514 -27.129 30.789 278 H GLY 34 H GLY 34 0.418 -25.127 32.800 279 HA2 GLY 34 2HA GLY 34 -1.585 -25.965 34.352 280 HA3 GLY 34 1HA GLY 34 -0.222 -26.297 35.409 281 H ASP 35 H ASP 35 0.791 -23.670 33.785 282 HA ASP 35 HA ASP 35 0.002 -21.864 35.929 283 HB2 ASP 35 2HB ASP 35 1.968 -21.590 33.650 284 HB3 ASP 35 1HB ASP 35 1.612 -20.282 34.773 285 H ILE 36 H ILE 36 -1.170 -19.996 35.705 286 HA ILE 36 HA ILE 36 -2.697 -19.612 33.257 287 HB ILE 36 HB ILE 36 -2.749 -18.070 35.867 288 HG12 ILE 36 2HG1 ILE 36 -3.517 -20.375 36.157 289 HG13 ILE 36 1HG1 ILE 36 -4.879 -19.266 36.274 290 HG21 ILE 36 1HG2 ILE 36 -3.500 -16.673 34.023 291 HG22 ILE 36 2HG2 ILE 36 -4.866 -17.118 35.046 292 HG23 ILE 36 3HG2 ILE 36 -4.623 -17.929 33.499 293 HD11 ILE 36 3HD1 ILE 36 -4.160 -20.941 33.877 294 HD12 ILE 36 1HD1 ILE 36 -5.521 -19.824 33.983 295 HD13 ILE 36 2HD1 ILE 36 -5.469 -21.250 35.017 296 H VAL 37 H VAL 37 -2.232 -18.127 31.735 297 HA VAL 37 HA VAL 37 0.265 -16.841 31.631 298 HB VAL 37 HB VAL 37 -2.220 -16.251 30.000 299 HG11 VAL 37 1HG1 VAL 37 -0.677 -15.350 28.325 300 HG12 VAL 37 2HG1 VAL 37 0.678 -15.622 29.420 301 HG13 VAL 37 3HG1 VAL 37 -0.575 -14.454 29.841 302 HG21 VAL 37 3HG2 VAL 37 -1.559 -18.602 29.867 303 HG22 VAL 37 1HG2 VAL 37 0.087 -18.126 29.444 304 HG23 VAL 37 2HG2 VAL 37 -1.245 -17.775 28.342 305 H SER 38 H SER 38 0.959 -14.853 32.219 306 HA SER 38 HA SER 38 -0.423 -13.358 34.147 307 HG SER 38 HG SER 38 2.903 -13.980 33.658 308 HB2 SER 38 2HB SER 38 1.953 -12.535 32.458 309 HB3 SER 38 1HB SER 38 1.405 -11.706 33.914 310 H THR 39 H THR 39 -0.669 -10.885 33.963 311 HA THR 39 HA THR 39 -2.924 -10.411 32.380 312 HB THR 39 HB THR 39 -1.122 -8.314 33.617 313 HG1 THR 39 HG1 THR 39 -2.075 -8.753 35.493 314 HG21 THR 39 3HG2 THR 39 -2.753 -7.367 32.060 315 HG22 THR 39 1HG2 THR 39 -3.175 -6.960 33.721 316 HG23 THR 39 2HG2 THR 39 -4.055 -8.235 32.876 317 H VAL 40 H VAL 40 0.330 -8.928 31.966 318 HA VAL 40 HA VAL 40 -0.272 -7.503 29.625 319 HB VAL 40 HB VAL 40 2.421 -8.586 30.498 320 HG11 VAL 40 1HG1 VAL 40 1.752 -6.374 28.549 321 HG12 VAL 40 2HG1 VAL 40 2.458 -7.940 28.149 322 HG13 VAL 40 3HG1 VAL 40 3.373 -6.784 29.115 323 HG21 VAL 40 3HG2 VAL 40 1.110 -5.912 31.023 324 HG22 VAL 40 1HG2 VAL 40 2.759 -6.350 31.473 325 HG23 VAL 40 2HG2 VAL 40 1.392 -7.185 32.211 326 H ASP 41 H ASP 41 1.274 -10.697 29.968 327 HA ASP 41 HA ASP 41 1.585 -11.259 27.228 328 HB2 ASP 41 2HB ASP 41 1.099 -13.291 29.423 329 HB3 ASP 41 1HB ASP 41 1.944 -13.550 27.900 330 H GLY 42 H GLY 42 -1.109 -11.871 29.452 331 HA2 GLY 42 2HA GLY 42 -2.755 -13.368 27.731 332 HA3 GLY 42 1HA GLY 42 -3.312 -12.398 29.085 333 H ALA 43 H ALA 43 -2.754 -9.843 28.362 334 HA ALA 43 HA ALA 43 -4.746 -9.078 26.584 335 HB1 ALA 43 3HB ALA 43 -2.223 -7.552 27.242 336 HB2 ALA 43 1HB ALA 43 -3.695 -7.569 28.212 337 HB3 ALA 43 2HB ALA 43 -3.715 -6.869 26.594 338 H PHE 44 H PHE 44 -1.320 -9.703 25.948 339 HA PHE 44 HA PHE 44 -1.249 -9.029 23.217 340 HD1 PHE 44 HD2 PHE 44 1.646 -8.728 22.340 341 HD2 PHE 44 HD1 PHE 44 0.502 -12.782 22.979 342 HE1 PHE 44 HE2 PHE 44 2.833 -9.384 20.290 343 HE2 PHE 44 HE1 PHE 44 1.683 -13.442 20.927 344 HZ PHE 44 HZ PHE 44 2.850 -11.744 19.578 345 HB2 PHE 44 2HB PHE 44 0.789 -9.464 24.492 346 HB3 PHE 44 1HB PHE 44 0.308 -11.135 24.749 347 H LEU 45 H LEU 45 -1.895 -12.141 24.807 348 HA LEU 45 HA LEU 45 -2.363 -13.684 22.520 349 HG LEU 45 HG LEU 45 -0.977 -14.291 25.091 350 HB2 LEU 45 2HB LEU 45 -3.436 -13.945 25.328 351 HB3 LEU 45 1HB LEU 45 -3.693 -15.156 24.086 352 HD11 LEU 45 1HD1 LEU 45 -2.197 -15.429 26.846 353 HD12 LEU 45 2HD1 LEU 45 -0.916 -16.466 26.217 354 HD13 LEU 45 3HD1 LEU 45 -2.594 -16.749 25.745 355 HD21 LEU 45 3HD2 LEU 45 -1.815 -16.552 23.272 356 HD22 LEU 45 1HD2 LEU 45 -0.182 -16.275 23.881 357 HD23 LEU 45 2HD2 LEU 45 -0.928 -15.102 22.798 358 H VAL 46 H VAL 46 -4.597 -11.663 24.398 359 HA VAL 46 HA VAL 46 -6.995 -12.433 23.174 360 HB VAL 46 HB VAL 46 -6.279 -9.682 24.230 361 HG11 VAL 46 1HG1 VAL 46 -8.991 -10.924 23.730 362 HG12 VAL 46 2HG1 VAL 46 -8.256 -9.623 22.791 363 HG13 VAL 46 3HG1 VAL 46 -8.695 -9.352 24.477 364 HG21 VAL 46 3HG2 VAL 46 -7.398 -10.418 26.300 365 HG22 VAL 46 1HG2 VAL 46 -5.978 -11.396 25.931 366 HG23 VAL 46 2HG2 VAL 46 -7.592 -12.032 25.613 367 H GLU 47 H GLU 47 -4.733 -9.817 22.234 368 HA GLU 47 HA GLU 47 -6.096 -9.030 19.890 369 HB2 GLU 47 2HB GLU 47 -3.214 -8.829 20.752 370 HB3 GLU 47 1HB GLU 47 -3.727 -8.270 19.168 371 HG2 GLU 47 2HG GLU 47 -4.908 -7.281 21.759 372 HG3 GLU 47 1HG GLU 47 -3.574 -6.495 20.917 373 H ALA 48 H ALA 48 -3.338 -11.274 20.283 374 HA ALA 48 HA ALA 48 -3.073 -12.101 17.638 375 HB1 ALA 48 3HB ALA 48 -1.971 -14.096 18.533 376 HB2 ALA 48 1HB ALA 48 -2.620 -13.742 20.135 377 HB3 ALA 48 2HB ALA 48 -1.458 -12.643 19.392 378 H LEU 49 H LEU 49 -5.345 -13.151 20.087 379 HA LEU 49 HA LEU 49 -6.428 -15.354 18.622 380 HG LEU 49 HG LEU 49 -9.366 -14.915 19.929 381 HB2 LEU 49 2HB LEU 49 -6.571 -15.272 21.035 382 HB3 LEU 49 1HB LEU 49 -7.444 -13.755 20.972 383 HD11 LEU 49 1HD1 LEU 49 -8.168 -16.735 18.834 384 HD12 LEU 49 2HD1 LEU 49 -9.436 -17.359 19.890 385 HD13 LEU 49 3HD1 LEU 49 -7.749 -17.421 20.405 386 HD21 LEU 49 3HD2 LEU 49 -8.426 -16.117 22.536 387 HD22 LEU 49 1HD2 LEU 49 -10.087 -16.107 21.940 388 HD23 LEU 49 2HD2 LEU 49 -9.286 -14.588 22.345 389 H LYS 50 H LYS 50 -7.516 -12.011 19.222 390 HA LYS 50 HA LYS 50 -9.913 -12.215 17.727 391 HB2 LYS 50 2HB LYS 50 -8.305 -9.870 18.718 392 HB3 LYS 50 1HB LYS 50 -9.760 -9.647 17.754 393 HG2 LYS 50 2HG LYS 50 -11.068 -10.853 19.427 394 HG3 LYS 50 1HG LYS 50 -9.612 -11.100 20.394 395 HD2 LYS 50 2HD LYS 50 -9.402 -8.752 20.812 396 HD3 LYS 50 1HD LYS 50 -10.653 -8.370 19.627 397 HE2 LYS 50 2HE LYS 50 -11.127 -9.954 22.154 398 HE3 LYS 50 1HE LYS 50 -11.417 -8.222 21.996 399 HZ1 LYS 50 3HZ LYS 50 -12.740 -10.332 20.373 400 HZ2 LYS 50 1HZ LYS 50 -13.036 -8.670 20.271 401 HZ3 LYS 50 2HZ LYS 50 -13.445 -9.517 21.675 402 H ARG 51 H ARG 51 -6.718 -12.085 16.618 403 HA ARG 51 HA ARG 51 -7.292 -10.792 14.099 404 HE ARG 51 HE ARG 51 -2.764 -10.883 13.024 405 HB2 ARG 51 2HB ARG 51 -4.927 -12.491 14.935 406 HB3 ARG 51 1HB ARG 51 -5.040 -11.591 13.427 407 HG2 ARG 51 2HG ARG 51 -5.234 -9.498 14.737 408 HG3 ARG 51 1HG ARG 51 -4.996 -10.437 16.210 409 HD2 ARG 51 2HD ARG 51 -2.897 -9.437 15.556 410 HD3 ARG 51 1HD ARG 51 -2.801 -11.182 15.341 411 HH11 ARG 51 1HH1 ARG 51 -3.099 -7.877 14.667 412 HH12 ARG 51 2HH1 ARG 51 -2.695 -6.940 13.269 413 HH21 ARG 51 1HH2 ARG 51 -2.208 -9.653 11.236 414 HH22 ARG 51 2HH2 ARG 51 -2.176 -7.928 11.366 415 H HIS 52 H HIS 52 -8.137 -13.752 15.347 416 HA HIS 52 HA HIS 52 -8.096 -15.165 12.774 417 HD1 HIS 52 HD1 HIS 52 -6.996 -18.511 13.822 418 HD2 HIS 52 HD2 HIS 52 -6.144 -15.112 16.046 419 HE1 HIS 52 HE1 HIS 52 -4.606 -18.767 14.537 420 HE2 HIS 52 HE2 HIS 52 -4.173 -16.784 16.025 421 HB2 HIS 52 2HB HIS 52 -8.945 -16.067 15.542 422 HB3 HIS 52 1HB HIS 52 -8.988 -17.083 14.105 423 HA PRO 53 HA PRO 53 -12.388 -14.064 11.952 424 HB2 PRO 53 2HB PRO 53 -12.962 -16.102 10.202 425 HB3 PRO 53 1HB PRO 53 -12.071 -14.646 9.748 426 HG2 PRO 53 2HG PRO 53 -11.018 -17.360 10.470 427 HG3 PRO 53 1HG PRO 53 -10.511 -16.273 9.161 428 HD2 PRO 53 2HD PRO 53 -9.113 -16.487 11.458 429 HD3 PRO 53 1HD PRO 53 -9.247 -14.944 10.586 430 H ASP 54 H ASP 54 -11.321 -17.189 13.068 431 HA ASP 54 HA ASP 54 -13.946 -18.119 13.865 432 HB2 ASP 54 2HB ASP 54 -11.239 -19.250 14.610 433 HB3 ASP 54 1HB ASP 54 -12.787 -20.088 14.627 434 H ALA 55 H ALA 55 -12.888 -15.574 15.018 435 HA ALA 55 HA ALA 55 -11.785 -15.774 17.538 436 HB1 ALA 55 3HB ALA 55 -13.751 -13.688 16.606 437 HB2 ALA 55 1HB ALA 55 -12.018 -13.684 16.278 438 HB3 ALA 55 2HB ALA 55 -12.602 -13.527 17.934 439 H THR 56 H THR 56 -15.297 -15.196 16.974 440 HA THR 56 HA THR 56 -16.074 -15.470 19.638 441 HB THR 56 HB THR 56 -17.610 -14.539 17.984 442 HG1 THR 56 HG1 THR 56 -18.983 -15.132 19.490 443 HG21 THR 56 3HG2 THR 56 -17.110 -16.052 16.108 444 HG22 THR 56 1HG2 THR 56 -18.841 -15.978 16.432 445 HG23 THR 56 2HG2 THR 56 -17.903 -17.372 16.967 446 H SER 57 H SER 57 -15.558 -17.988 17.238 447 HA SER 57 HA SER 57 -16.768 -20.169 18.480 448 HG SER 57 HG SER 57 -15.719 -22.353 17.467 449 HB2 SER 57 2HB SER 57 -15.890 -20.443 16.270 450 HB3 SER 57 1HB SER 57 -14.265 -20.003 16.790 451 H LYS 58 H LYS 58 -13.722 -18.588 19.213 452 HA LYS 58 HA LYS 58 -13.081 -20.646 21.221 453 HB2 LYS 58 2HB LYS 58 -11.334 -18.405 20.170 454 HB3 LYS 58 1HB LYS 58 -10.823 -19.741 21.199 455 HG2 LYS 58 2HG LYS 58 -11.863 -20.002 18.372 456 HG3 LYS 58 1HG LYS 58 -10.168 -20.071 18.855 457 HD2 LYS 58 2HD LYS 58 -10.562 -22.083 20.141 458 HD3 LYS 58 1HD LYS 58 -12.299 -21.972 19.849 459 HE2 LYS 58 2HE LYS 58 -10.219 -22.342 17.690 460 HE3 LYS 58 1HE LYS 58 -11.141 -23.653 18.427 461 HZ1 LYS 58 3HZ LYS 58 -13.171 -22.694 17.600 462 HZ2 LYS 58 1HZ LYS 58 -12.093 -22.892 16.313 463 HZ3 LYS 58 2HZ LYS 58 -12.343 -21.360 16.974 464 H ILE 59 H ILE 59 -13.800 -17.230 20.880 465 HA ILE 59 HA ILE 59 -13.113 -16.550 23.604 466 HB ILE 59 HB ILE 59 -14.582 -14.927 21.507 467 HG12 ILE 59 2HG1 ILE 59 -11.674 -14.850 22.364 468 HG13 ILE 59 1HG1 ILE 59 -12.275 -15.513 20.847 469 HG21 ILE 59 1HG2 ILE 59 -14.068 -12.982 22.909 470 HG22 ILE 59 2HG2 ILE 59 -13.354 -14.041 24.123 471 HG23 ILE 59 3HG2 ILE 59 -15.078 -14.145 23.768 472 HD11 ILE 59 3HD1 ILE 59 -12.408 -12.632 21.719 473 HD12 ILE 59 1HD1 ILE 59 -13.074 -13.274 20.217 474 HD13 ILE 59 2HD1 ILE 59 -11.335 -13.319 20.500 475 H GLY 60 H GLY 60 -16.148 -16.936 21.762 476 HA2 GLY 60 2HA GLY 60 -18.337 -17.112 22.468 477 HA3 GLY 60 1HA GLY 60 -17.725 -17.442 24.083 478 HA PRO 61 HA PRO 61 -19.591 -13.329 24.761 479 HB2 PRO 61 2HB PRO 61 -19.600 -13.474 27.477 480 HB3 PRO 61 1HB PRO 61 -20.826 -14.257 26.472 481 HG2 PRO 61 2HG PRO 61 -18.381 -15.445 27.741 482 HG3 PRO 61 1HG PRO 61 -20.033 -16.090 27.681 483 HD2 PRO 61 2HD PRO 61 -18.087 -16.945 26.001 484 HD3 PRO 61 1HD PRO 61 -19.793 -16.858 25.511 485 H GLY 62 H GLY 62 -16.789 -14.624 26.576 486 HA2 GLY 62 2HA GLY 62 -15.134 -12.406 25.944 487 HA3 GLY 62 1HA GLY 62 -15.775 -12.231 27.569 488 H VAL 63 H VAL 63 -13.021 -12.482 26.928 489 HA VAL 63 HA VAL 63 -12.283 -15.198 27.757 490 HB VAL 63 HB VAL 63 -10.525 -12.857 26.975 491 HG11 VAL 63 1HG1 VAL 63 -9.357 -14.390 28.467 492 HG12 VAL 63 2HG1 VAL 63 -8.714 -14.503 26.829 493 HG13 VAL 63 3HG1 VAL 63 -9.802 -15.754 27.436 494 HG21 VAL 63 3HG2 VAL 63 -11.833 -13.613 25.084 495 HG22 VAL 63 1HG2 VAL 63 -11.375 -15.290 25.394 496 HG23 VAL 63 2HG2 VAL 63 -10.158 -14.122 24.880 497 H ARG 64 H ARG 64 -11.785 -15.694 29.837 498 HA ARG 64 HA ARG 64 -11.598 -13.512 31.784 499 HE ARG 64 HE ARG 64 -11.524 -13.323 36.113 500 HB2 ARG 64 2HB ARG 64 -13.053 -15.716 31.974 501 HB3 ARG 64 1HB ARG 64 -11.554 -16.415 32.561 502 HG2 ARG 64 2HG ARG 64 -12.822 -13.958 33.766 503 HG3 ARG 64 1HG ARG 64 -13.153 -15.596 34.322 504 HD2 ARG 64 2HD ARG 64 -10.806 -15.900 34.899 505 HD3 ARG 64 1HD ARG 64 -10.422 -14.300 34.266 506 HH11 ARG 64 1HH1 ARG 64 -11.521 -16.772 36.288 507 HH12 ARG 64 2HH1 ARG 64 -11.783 -16.787 37.998 508 HH21 ARG 64 1HH2 ARG 64 -11.872 -13.374 38.317 509 HH22 ARG 64 2HH2 ARG 64 -11.991 -14.904 39.119 510 H ASN 65 H ASN 65 -9.824 -16.576 31.154 511 HA ASN 65 HA ASN 65 -7.289 -15.188 31.443 512 HB2 ASN 65 2HB ASN 65 -6.445 -16.695 33.209 513 HB3 ASN 65 1HB ASN 65 -7.784 -15.698 33.765 514 HD21 ASN 65 1HD2 ASN 65 -6.741 -18.916 33.010 515 HD22 ASN 65 2HD2 ASN 65 -8.112 -19.723 33.685 516 H PHE 66 H PHE 66 -5.486 -16.359 30.664 517 HA PHE 66 HA PHE 66 -6.167 -18.651 28.958 518 HD1 PHE 66 HD1 PHE 66 -5.197 -14.853 28.694 519 HD2 PHE 66 HD2 PHE 66 -5.262 -18.136 25.975 520 HE1 PHE 66 HE1 PHE 66 -6.321 -13.445 27.019 521 HE2 PHE 66 HE2 PHE 66 -6.384 -16.728 24.300 522 HZ PHE 66 HZ PHE 66 -6.916 -14.379 24.822 523 HB2 PHE 66 2HB PHE 66 -3.744 -16.836 29.005 524 HB3 PHE 66 1HB PHE 66 -3.908 -18.227 27.941 525 H GLU 67 H GLU 67 -5.125 -20.618 29.111 526 HA GLU 67 HA GLU 67 -3.317 -21.020 31.416 527 HB2 GLU 67 2HB GLU 67 -5.471 -22.064 31.854 528 HB3 GLU 67 1HB GLU 67 -5.421 -22.890 30.303 529 HG2 GLU 67 2HG GLU 67 -3.349 -24.075 31.119 530 HG3 GLU 67 1HG GLU 67 -3.684 -23.392 32.711 531 H VAL 68 H VAL 68 -1.508 -22.288 31.108 532 HA VAL 68 HA VAL 68 -0.918 -23.085 28.333 533 HB VAL 68 HB VAL 68 0.944 -22.710 30.694 534 HG11 VAL 68 1HG1 VAL 68 2.774 -23.063 29.089 535 HG12 VAL 68 2HG1 VAL 68 1.596 -23.458 27.837 536 HG13 VAL 68 3HG1 VAL 68 1.764 -24.500 29.249 537 HG21 VAL 68 3HG2 VAL 68 1.808 -20.823 29.331 538 HG22 VAL 68 1HG2 VAL 68 0.130 -20.608 29.825 539 HG23 VAL 68 2HG2 VAL 68 0.509 -21.102 28.175 540 H ARG 69 H ARG 69 -1.344 -25.137 27.858 541 HA ARG 69 HA ARG 69 -0.720 -27.236 29.840 542 HE ARG 69 HE ARG 69 -5.014 -27.278 30.379 543 HB2 ARG 69 2HB ARG 69 -3.183 -26.736 29.733 544 HB3 ARG 69 1HB ARG 69 -3.161 -27.215 28.043 545 HG2 ARG 69 2HG ARG 69 -2.537 -29.479 28.657 546 HG3 ARG 69 1HG ARG 69 -2.452 -29.016 30.357 547 HD2 ARG 69 2HD ARG 69 -4.917 -29.022 28.608 548 HD3 ARG 69 1HD ARG 69 -4.546 -30.158 29.905 549 HH11 ARG 69 1HH1 ARG 69 -5.436 -30.589 31.282 550 HH12 ARG 69 2HH1 ARG 69 -6.445 -30.190 32.628 551 HH21 ARG 69 1HH2 ARG 69 -6.284 -26.805 32.108 552 HH22 ARG 69 2HH2 ARG 69 -6.919 -28.079 33.091 553 H SER 70 H SER 70 -0.125 -29.289 28.957 554 HA SER 70 HA SER 70 1.364 -29.056 26.493 555 HG SER 70 HG SER 70 2.210 -30.256 29.570 556 HB2 SER 70 2HB SER 70 1.023 -31.462 28.309 557 HB3 SER 70 1HB SER 70 2.214 -31.299 27.019 558 H ALA 71 H ALA 71 0.589 -29.500 24.520 559 HA ALA 71 HA ALA 71 -1.575 -31.509 24.245 560 HB1 ALA 71 3HB ALA 71 -2.322 -29.266 23.634 561 HB2 ALA 71 1HB ALA 71 -2.276 -30.314 22.215 562 HB3 ALA 71 2HB ALA 71 -0.999 -29.125 22.476 563 H ASP 72 H ASP 72 1.616 -31.290 23.923 564 HA ASP 72 HA ASP 72 1.763 -33.266 21.786 565 HB2 ASP 72 2HB ASP 72 2.035 -31.116 20.620 566 HB3 ASP 72 1HB ASP 72 3.324 -30.667 21.726 567 H TYR 73 H TYR 73 4.186 -33.991 21.591 568 HA TYR 73 HA TYR 73 4.925 -35.213 23.973 569 HD1 TYR 73 HD1 TYR 73 5.477 -37.892 22.571 570 HD2 TYR 73 HD2 TYR 73 5.282 -34.626 19.850 571 HE1 TYR 73 HE1 TYR 73 4.196 -39.283 21.000 572 HE2 TYR 73 HE2 TYR 73 4.002 -36.000 18.276 573 HH TYR 73 HH TYR 73 2.573 -38.928 19.118 574 HB2 TYR 73 2HB TYR 73 6.835 -34.590 21.708 575 HB3 TYR 73 1HB TYR 73 6.923 -35.932 22.844 576 H GLY 74 H GLY 74 6.487 -32.386 22.419 577 HA2 GLY 74 2HA GLY 74 7.595 -31.657 25.070 578 HA3 GLY 74 1HA GLY 74 8.626 -31.694 23.651 579 H THR 75 H THR 75 5.395 -30.570 23.170 580 HA THR 75 HA THR 75 6.259 -27.767 23.451 581 HB THR 75 HB THR 75 4.916 -27.187 21.391 582 HG1 THR 75 HG1 THR 75 5.063 -30.011 21.004 583 HG21 THR 75 3HG2 THR 75 7.369 -27.240 21.373 584 HG22 THR 75 1HG2 THR 75 6.703 -27.764 19.827 585 HG23 THR 75 2HG2 THR 75 7.333 -28.955 20.964 586 H GLN 76 H GLN 76 4.463 -26.210 23.513 587 HA GLN 76 HA GLN 76 2.364 -27.324 25.268 588 HB2 GLN 76 2HB GLN 76 3.395 -24.483 25.143 589 HB3 GLN 76 1HB GLN 76 2.387 -25.189 26.398 590 HG2 GLN 76 2HG GLN 76 4.143 -26.332 27.361 591 HG3 GLN 76 1HG GLN 76 5.084 -26.362 25.869 592 HE21 GLN 76 1HE2 GLN 76 4.174 -24.465 28.628 593 HE22 GLN 76 2HE2 GLN 76 5.365 -23.239 28.438 594 H CYS 77 H CYS 77 0.374 -25.792 25.408 595 HA CYS 77 HA CYS 77 -0.288 -24.448 22.891 596 HG CYS 77 HG CYS 77 -3.858 -24.792 23.288 597 HB2 CYS 77 2HB CYS 77 -1.129 -26.719 22.547 598 HB3 CYS 77 1HB CYS 77 -1.989 -26.657 24.081 599 H PHE 78 H PHE 78 -1.739 -22.770 23.112 600 HA PHE 78 HA PHE 78 -2.293 -21.867 25.812 601 HD1 PHE 78 HD2 PHE 78 -1.421 -19.453 26.382 602 HD2 PHE 78 HD1 PHE 78 -0.619 -20.198 22.262 603 HE1 PHE 78 HE2 PHE 78 0.791 -18.403 26.627 604 HE2 PHE 78 HE1 PHE 78 1.593 -19.145 22.504 605 HZ PHE 78 HZ PHE 78 2.302 -18.245 24.689 606 HB2 PHE 78 2HB PHE 78 -2.758 -20.606 23.103 607 HB3 PHE 78 1HB PHE 78 -3.265 -19.854 24.608 608 H TRP 79 H TRP 79 -4.056 -22.505 26.863 609 HA TRP 79 HA TRP 79 -6.533 -23.091 25.379 610 HD1 TRP 79 HD1 TRP 79 -3.590 -25.084 26.794 611 HE1 TRP 79 HE1 TRP 79 -3.585 -27.452 25.786 612 HE3 TRP 79 HE3 TRP 79 -8.641 -25.868 26.526 613 HZ2 TRP 79 HZ2 TRP 79 -5.470 -29.400 24.987 614 HZ3 TRP 79 HZ3 TRP 79 -9.459 -28.010 25.628 615 HH2 TRP 79 HH2 TRP 79 -7.901 -29.740 24.872 616 HB2 TRP 79 2HB TRP 79 -5.665 -23.806 28.193 617 HB3 TRP 79 1HB TRP 79 -7.275 -24.127 27.556 618 H ILE 80 H ILE 80 -8.367 -21.919 25.679 619 HA ILE 80 HA ILE 80 -8.104 -19.422 27.193 620 HB ILE 80 HB ILE 80 -10.217 -20.194 25.167 621 HG12 ILE 80 2HG1 ILE 80 -7.772 -18.451 24.750 622 HG13 ILE 80 1HG1 ILE 80 -7.887 -20.127 24.227 623 HG21 ILE 80 1HG2 ILE 80 -10.929 -18.426 26.701 624 HG22 ILE 80 2HG2 ILE 80 -10.685 -17.787 25.075 625 HG23 ILE 80 3HG2 ILE 80 -9.474 -17.500 26.326 626 HD11 ILE 80 3HD1 ILE 80 -9.640 -17.870 23.285 627 HD12 ILE 80 1HD1 ILE 80 -9.735 -19.549 22.756 628 HD13 ILE 80 2HD1 ILE 80 -8.298 -18.592 22.397 629 H LEU 81 H LEU 81 -8.814 -19.631 29.273 630 HA LEU 81 HA LEU 81 -11.286 -21.046 29.851 631 HG LEU 81 HG LEU 81 -9.211 -21.605 32.875 632 HB2 LEU 81 2HB LEU 81 -9.345 -19.512 31.571 633 HB3 LEU 81 1HB LEU 81 -10.905 -20.021 32.187 634 HD11 LEU 81 1HD1 LEU 81 -10.192 -23.657 32.094 635 HD12 LEU 81 2HD1 LEU 81 -10.894 -22.835 30.700 636 HD13 LEU 81 3HD1 LEU 81 -11.458 -22.452 32.327 637 HD21 LEU 81 3HD2 LEU 81 -7.931 -22.931 31.260 638 HD22 LEU 81 1HD2 LEU 81 -7.558 -21.213 31.123 639 HD23 LEU 81 2HD2 LEU 81 -8.614 -21.983 29.938 640 H ARG 82 H ARG 82 -13.004 -20.111 29.046 641 HA ARG 82 HA ARG 82 -13.239 -17.279 28.618 642 HE ARG 82 HE ARG 82 -16.505 -19.948 26.673 643 HB2 ARG 82 2HB ARG 82 -15.168 -19.578 28.242 644 HB3 ARG 82 1HB ARG 82 -15.508 -17.924 27.754 645 HG2 ARG 82 2HG ARG 82 -14.195 -18.043 25.925 646 HG3 ARG 82 1HG ARG 82 -12.977 -19.035 26.726 647 HD2 ARG 82 2HD ARG 82 -14.242 -20.128 24.820 648 HD3 ARG 82 1HD ARG 82 -14.191 -21.024 26.335 649 HH11 ARG 82 1HH1 ARG 82 -15.238 -20.879 23.619 650 HH12 ARG 82 2HH1 ARG 82 -16.781 -21.343 22.997 651 HH21 ARG 82 1HH2 ARG 82 -18.489 -20.545 25.870 652 HH22 ARG 82 2HH2 ARG 82 -18.604 -21.152 24.254 653 H THR 83 H THR 83 -14.817 -15.855 29.491 654 HA THR 83 HA THR 83 -15.576 -16.106 32.202 655 HB THR 83 HB THR 83 -17.151 -14.232 31.757 656 HG1 THR 83 HG1 THR 83 -17.916 -14.113 29.792 657 HG21 THR 83 3HG2 THR 83 -14.436 -13.905 30.463 658 HG22 THR 83 1HG2 THR 83 -14.806 -13.698 32.176 659 HG23 THR 83 2HG2 THR 83 -15.483 -12.585 30.986 660 H ASP 84 H ASP 84 -16.932 -17.286 29.290 661 HA ASP 84 HA ASP 84 -19.558 -17.912 29.996 662 HB2 ASP 84 2HB ASP 84 -18.606 -18.052 27.719 663 HB3 ASP 84 1HB ASP 84 -17.633 -19.431 28.211 664 H GLY 85 H GLY 85 -16.547 -19.380 30.979 665 HA2 GLY 85 2HA GLY 85 -16.461 -20.742 32.963 666 HA3 GLY 85 1HA GLY 85 -18.042 -21.386 32.553 667 H SER 86 H SER 86 -16.832 -21.495 29.673 668 HA SER 86 HA SER 86 -15.826 -24.233 29.956 669 HG SER 86 HG SER 86 -17.920 -22.341 27.209 670 HB2 SER 86 2HB SER 86 -16.279 -24.352 27.482 671 HB3 SER 86 1HB SER 86 -17.704 -24.005 28.461 672 H GLU 87 H GLU 87 -14.112 -24.966 28.467 673 HA GLU 87 HA GLU 87 -12.029 -22.908 28.050 674 HB2 GLU 87 2HB GLU 87 -10.402 -24.830 28.328 675 HB3 GLU 87 1HB GLU 87 -11.280 -24.367 29.780 676 HG2 GLU 87 2HG GLU 87 -12.672 -26.254 29.683 677 HG3 GLU 87 1HG GLU 87 -12.223 -26.608 28.016 678 H GLU 88 H GLU 88 -10.923 -22.871 26.109 679 HA GLU 88 HA GLU 88 -11.034 -25.108 24.285 680 HB2 GLU 88 2HB GLU 88 -13.166 -23.899 23.813 681 HB3 GLU 88 1HB GLU 88 -12.228 -22.471 23.392 682 HG2 GLU 88 2HG GLU 88 -12.950 -23.714 21.412 683 HG3 GLU 88 1HG GLU 88 -11.193 -23.649 21.546 684 H ARG 89 H ARG 89 -9.379 -25.084 22.768 685 HA ARG 89 HA ARG 89 -7.267 -23.123 23.335 686 HE ARG 89 HE ARG 89 -7.977 -28.864 21.911 687 HB2 ARG 89 2HB ARG 89 -5.819 -24.807 22.096 688 HB3 ARG 89 1HB ARG 89 -6.511 -25.345 23.621 689 HG2 ARG 89 2HG ARG 89 -8.261 -26.554 22.410 690 HG3 ARG 89 1HG ARG 89 -7.575 -26.013 20.876 691 HD2 ARG 89 2HD ARG 89 -5.601 -27.289 21.202 692 HD3 ARG 89 1HD ARG 89 -5.986 -27.586 22.897 693 HH11 ARG 89 1HH1 ARG 89 -4.932 -28.614 20.319 694 HH12 ARG 89 2HH1 ARG 89 -5.034 -30.199 19.636 695 HH21 ARG 89 1HH2 ARG 89 -8.114 -30.871 21.005 696 HH22 ARG 89 2HH2 ARG 89 -6.827 -31.466 20.016 697 H PHE 90 H PHE 90 -5.917 -22.303 21.586 698 HA PHE 90 HA PHE 90 -7.201 -22.253 18.936 699 HD1 PHE 90 HD1 PHE 90 -6.553 -20.032 22.402 700 HD2 PHE 90 HD2 PHE 90 -4.941 -18.646 18.707 701 HE1 PHE 90 HE1 PHE 90 -4.939 -18.638 23.629 702 HE2 PHE 90 HE2 PHE 90 -3.324 -17.256 19.930 703 HZ PHE 90 HZ PHE 90 -3.321 -17.250 22.395 704 HB2 PHE 90 2HB PHE 90 -6.950 -19.874 18.717 705 HB3 PHE 90 1HB PHE 90 -7.817 -20.187 20.212 706 H SER 91 H SER 91 -5.811 -22.034 17.176 707 HA SER 91 HA SER 91 -3.121 -22.961 17.658 708 HG SER 91 HG SER 91 -5.169 -22.740 14.172 709 HB2 SER 91 2HB SER 91 -2.975 -23.052 15.168 710 HB3 SER 91 1HB SER 91 -4.361 -23.930 15.814 711 H TYR 92 H TYR 92 -1.908 -21.308 18.563 712 HA TYR 92 HA TYR 92 -1.868 -18.644 17.643 713 HD1 TYR 92 HD1 TYR 92 -0.578 -21.818 20.094 714 HD2 TYR 92 HD2 TYR 92 2.276 -19.116 18.445 715 HE1 TYR 92 HE1 TYR 92 1.201 -23.483 20.444 716 HE2 TYR 92 HE2 TYR 92 4.056 -20.773 18.790 717 HH TYR 92 HH TYR 92 4.514 -22.713 20.180 718 HB2 TYR 92 2HB TYR 92 0.090 -18.330 19.020 719 HB3 TYR 92 1HB TYR 92 -1.049 -19.358 19.878 720 H LYS 93 H LYS 93 -0.175 -21.492 16.501 721 HA LYS 93 HA LYS 93 1.816 -20.127 14.990 722 HB2 LYS 93 2HB LYS 93 2.199 -22.265 13.860 723 HB3 LYS 93 1HB LYS 93 2.088 -22.480 15.601 724 HG2 LYS 93 2HG LYS 93 -0.152 -23.359 15.403 725 HG3 LYS 93 1HG LYS 93 -0.170 -23.022 13.670 726 HD2 LYS 93 2HD LYS 93 1.740 -24.926 15.045 727 HD3 LYS 93 1HD LYS 93 0.272 -25.412 14.199 728 HE2 LYS 93 2HE LYS 93 1.149 -24.534 12.107 729 HE3 LYS 93 1HE LYS 93 2.586 -23.935 12.934 730 HZ1 LYS 93 3HZ LYS 93 2.995 -26.023 11.773 731 HZ2 LYS 93 1HZ LYS 93 1.813 -26.799 12.701 732 HZ3 LYS 93 2HZ LYS 93 3.209 -26.203 13.439 733 H LYS 94 H LYS 94 -1.513 -20.392 14.524 734 HA LYS 94 HA LYS 94 -1.300 -19.838 11.634 735 HB2 LYS 94 2HB LYS 94 -3.589 -20.836 13.333 736 HB3 LYS 94 1HB LYS 94 -3.817 -20.265 11.687 737 HG2 LYS 94 2HG LYS 94 -2.051 -22.572 12.510 738 HG3 LYS 94 1HG LYS 94 -3.661 -22.704 11.794 739 HD2 LYS 94 2HD LYS 94 -2.811 -21.474 9.797 740 HD3 LYS 94 1HD LYS 94 -1.196 -21.511 10.504 741 HE2 LYS 94 2HE LYS 94 -1.170 -23.929 10.414 742 HE3 LYS 94 1HE LYS 94 -2.841 -23.961 9.850 743 HZ1 LYS 94 3HZ LYS 94 -2.076 -22.698 7.875 744 HZ2 LYS 94 1HZ LYS 94 -1.417 -24.252 7.989 745 HZ3 LYS 94 2HZ LYS 94 -0.482 -22.904 8.396 746 H CYS 95 H CYS 95 -0.763 -17.913 13.814 747 HA CYS 95 HA CYS 95 -2.967 -16.062 13.881 748 HG CYS 95 HG CYS 95 1.081 -16.646 15.613 749 HB2 CYS 95 2HB CYS 95 -1.372 -14.571 15.047 750 HB3 CYS 95 1HB CYS 95 -1.430 -16.178 15.762 751 H VAL 96 H VAL 96 -0.312 -16.600 11.735 752 HA VAL 96 HA VAL 96 -0.685 -13.947 10.509 753 HB VAL 96 HB VAL 96 1.599 -15.879 10.049 754 HG11 VAL 96 1HG1 VAL 96 1.204 -14.374 8.155 755 HG12 VAL 96 2HG1 VAL 96 2.709 -13.971 8.980 756 HG13 VAL 96 3HG1 VAL 96 1.272 -12.982 9.238 757 HG21 VAL 96 3HG2 VAL 96 1.626 -15.069 12.346 758 HG22 VAL 96 1HG2 VAL 96 1.483 -13.404 11.781 759 HG23 VAL 96 2HG2 VAL 96 2.939 -14.335 11.423 760 H LEU 97 H LEU 97 0.669 -16.700 8.761 761 HA LEU 97 HA LEU 97 -1.695 -17.145 7.154 762 HG LEU 97 HG LEU 97 -1.250 -14.210 6.813 763 HB2 LEU 97 2HB LEU 97 0.663 -15.607 6.059 764 HB3 LEU 97 1HB LEU 97 -0.423 -16.500 5.014 765 HD11 LEU 97 1HD1 LEU 97 -1.485 -12.921 4.757 766 HD12 LEU 97 2HD1 LEU 97 -0.864 -14.281 3.821 767 HD13 LEU 97 3HD1 LEU 97 0.180 -13.459 4.980 768 HD21 LEU 97 3HD2 LEU 97 -2.799 -15.714 4.693 769 HD22 LEU 97 1HD2 LEU 97 -3.376 -14.318 5.606 770 HD23 LEU 97 2HD2 LEU 97 -3.046 -15.839 6.436 771 H GLU 98 H GLU 98 -1.290 -18.712 5.379 772 HA GLU 98 HA GLU 98 0.713 -20.711 6.023 773 HB2 GLU 98 2HB GLU 98 -1.397 -20.551 3.853 774 HB3 GLU 98 1HB GLU 98 -0.279 -21.895 4.010 775 HG2 GLU 98 2HG GLU 98 -2.398 -22.490 4.958 776 HG3 GLU 98 1HG GLU 98 -1.189 -22.381 6.234 777 H HIS 99 H HIS 99 1.459 -21.713 3.579 778 HA HIS 99 HA HIS 99 2.442 -19.487 1.932 779 HD1 HIS 99 HD1 HIS 99 4.139 -22.314 4.873 780 HD2 HIS 99 HD2 HIS 99 4.853 -23.165 0.870 781 HE1 HIS 99 HE1 HIS 99 4.823 -24.723 4.807 782 HE2 HIS 99 HE2 HIS 99 5.124 -25.252 2.370 783 HB2 HIS 99 2HB HIS 99 4.645 -20.471 1.680 784 HB3 HIS 99 1HB HIS 99 4.324 -20.224 3.391 785 H HIS 100 H HIS 100 2.815 -20.083 -0.314 786 HA HIS 100 HA HIS 100 0.804 -21.717 -1.351 787 HD1 HIS 100 HD1 HIS 100 -0.418 -20.487 -3.382 788 HD2 HIS 100 HD2 HIS 100 2.773 -17.965 -2.525 789 HE1 HIS 100 HE1 HIS 100 -1.328 -18.157 -3.590 790 HE2 HIS 100 HE2 HIS 100 0.560 -16.667 -2.859 791 HB2 HIS 100 2HB HIS 100 3.309 -20.624 -2.622 792 HB3 HIS 100 1HB HIS 100 2.118 -21.551 -3.534 793 H HIS 101 H HIS 101 0.693 -23.753 -2.178 794 HA HIS 101 HA HIS 101 2.951 -25.565 -2.008 795 HD1 HIS 101 HD1 HIS 101 0.735 -24.177 1.503 796 HD2 HIS 101 HD2 HIS 101 -1.226 -26.927 -0.919 797 HE1 HIS 101 HE1 HIS 101 -1.700 -23.926 2.039 798 HE2 HIS 101 HE2 HIS 101 -2.872 -25.434 0.405 799 HB2 HIS 101 2HB HIS 101 1.651 -27.118 -0.458 800 HB3 HIS 101 1HB HIS 101 2.328 -25.673 0.284 801 H HIS 102 H HIS 102 2.272 -27.845 -2.600 802 HA HIS 102 HA HIS 102 0.967 -27.749 -5.104 803 HD1 HIS 102 HD1 HIS 102 1.389 -32.368 -4.677 804 HD2 HIS 102 HD2 HIS 102 0.970 -29.097 -7.205 805 HE1 HIS 102 HE1 HIS 102 0.672 -33.310 -6.887 806 HE2 HIS 102 HE2 HIS 102 0.516 -31.329 -8.425 807 HB2 HIS 102 2HB HIS 102 2.792 -29.330 -4.513 808 HB3 HIS 102 1HB HIS 102 1.674 -30.196 -3.466 809 H HIS 103 H HIS 103 -0.041 -29.368 -2.070 810 HA HIS 103 HA HIS 103 -2.769 -28.690 -2.364 811 HD1 HIS 103 HD1 HIS 103 -3.922 -32.997 -2.177 812 HD2 HIS 103 HD2 HIS 103 -5.364 -29.312 -3.447 813 HE1 HIS 103 HE1 HIS 103 -6.412 -33.120 -1.910 814 HE2 HIS 103 HE2 HIS 103 -7.244 -30.837 -2.538 815 HB2 HIS 103 2HB HIS 103 -2.653 -30.333 -4.216 816 HB3 HIS 103 1HB HIS 103 -2.112 -31.562 -3.081 817 H HIS 104 H HIS 104 -3.420 -28.549 -0.310 818 HA HIS 104 HA HIS 104 -2.213 -30.214 1.760 819 HD1 HIS 104 HD1 HIS 104 -1.555 -29.093 4.403 820 HD2 HIS 104 HD2 HIS 104 -5.682 -28.700 4.158 821 HE1 HIS 104 HE1 HIS 104 -2.410 -29.547 6.716 822 HE2 HIS 104 HE2 HIS 104 -4.909 -29.500 6.494 823 HB2 HIS 104 2HB HIS 104 -2.475 -27.829 2.225 824 HB3 HIS 104 1HB HIS 104 -4.212 -27.943 1.959 Start of MODEL 3 1 HA MET 1 HA MET 1 -6.233 -9.796 3.543 2 H1 MET 1 1H MET 1 -6.417 -12.137 3.185 3 H2 MET 1 2H MET 1 -5.023 -12.445 4.080 4 H3 MET 1 3H MET 1 -4.915 -11.610 2.613 5 HB2 MET 1 2HB MET 1 -7.453 -11.107 5.204 6 HB3 MET 1 1HB MET 1 -5.966 -11.413 6.088 7 HG2 MET 1 2HG MET 1 -5.775 -9.028 6.601 8 HG3 MET 1 1HG MET 1 -7.255 -8.713 5.696 9 HE1 MET 1 3HE MET 1 -5.714 -10.562 8.821 10 HE2 MET 1 1HE MET 1 -6.590 -11.853 7.997 11 HE3 MET 1 2HE MET 1 -7.157 -11.256 9.557 12 H ALA 2 H ALA 2 -3.557 -11.528 5.175 13 HA ALA 2 HA ALA 2 -2.335 -9.129 6.139 14 HB1 ALA 2 3HB ALA 2 -1.124 -11.882 5.867 15 HB2 ALA 2 1HB ALA 2 -2.055 -11.306 7.251 16 HB3 ALA 2 2HB ALA 2 -0.507 -10.557 6.855 17 H LYS 3 H LYS 3 -1.927 -7.725 4.425 18 HA LYS 3 HA LYS 3 0.453 -8.414 2.835 19 HB2 LYS 3 2HB LYS 3 -1.989 -7.010 1.713 20 HB3 LYS 3 1HB LYS 3 -0.467 -7.231 0.863 21 HG2 LYS 3 2HG LYS 3 -0.828 -9.709 1.073 22 HG3 LYS 3 1HG LYS 3 -2.441 -9.349 1.687 23 HD2 LYS 3 2HD LYS 3 -1.358 -8.529 -1.016 24 HD3 LYS 3 1HD LYS 3 -2.462 -9.869 -0.715 25 HE2 LYS 3 2HE LYS 3 -3.873 -8.159 -1.435 26 HE3 LYS 3 1HE LYS 3 -4.015 -8.081 0.319 27 HZ1 LYS 3 3HZ LYS 3 -2.206 -6.355 -1.283 28 HZ2 LYS 3 1HZ LYS 3 -2.547 -6.209 0.365 29 HZ3 LYS 3 2HZ LYS 3 -3.749 -5.893 -0.782 30 H ALA 4 H ALA 4 1.919 -6.769 2.597 31 HA ALA 4 HA ALA 4 3.002 -4.797 2.920 32 HB1 ALA 4 3HB ALA 4 1.755 -2.733 2.524 33 HB2 ALA 4 1HB ALA 4 0.234 -3.611 2.698 34 HB3 ALA 4 2HB ALA 4 1.313 -3.976 1.353 35 H GLN 5 H GLN 5 1.921 -6.265 5.300 36 HA GLN 5 HA GLN 5 2.259 -4.065 7.225 37 HB2 GLN 5 2HB GLN 5 0.479 -4.918 8.654 38 HB3 GLN 5 1HB GLN 5 -0.155 -4.501 7.068 39 HG2 GLN 5 2HG GLN 5 -0.283 -6.804 6.434 40 HG3 GLN 5 1HG GLN 5 0.582 -7.306 7.887 41 HE21 GLN 5 1HE2 GLN 5 -0.490 -7.208 9.881 42 HE22 GLN 5 2HE2 GLN 5 -2.211 -7.150 9.986 43 HA PRO 6 HA PRO 6 4.790 -7.186 9.283 44 HB2 PRO 6 2HB PRO 6 5.510 -5.790 11.440 45 HB3 PRO 6 1HB PRO 6 6.080 -5.318 9.833 46 HG2 PRO 6 2HG PRO 6 3.852 -4.154 11.469 47 HG3 PRO 6 1HG PRO 6 5.097 -3.319 10.521 48 HD2 PRO 6 2HD PRO 6 2.520 -3.805 9.637 49 HD3 PRO 6 1HD PRO 6 3.913 -3.527 8.571 50 H ILE 7 H ILE 7 4.889 -8.200 11.551 51 HA ILE 7 HA ILE 7 2.178 -8.719 12.474 52 HB ILE 7 HB ILE 7 4.773 -9.965 13.430 53 HG12 ILE 7 2HG1 ILE 7 3.869 -11.984 12.123 54 HG13 ILE 7 1HG1 ILE 7 2.759 -10.861 11.351 55 HG21 ILE 7 1HG2 ILE 7 3.042 -10.132 15.116 56 HG22 ILE 7 2HG2 ILE 7 3.301 -11.716 14.383 57 HG23 ILE 7 3HG2 ILE 7 1.896 -10.751 13.926 58 HD11 ILE 7 3HD1 ILE 7 5.767 -10.721 11.234 59 HD12 ILE 7 1HD1 ILE 7 4.645 -9.624 10.427 60 HD13 ILE 7 2HD1 ILE 7 4.704 -11.325 9.963 61 H GLU 8 H GLU 8 1.982 -6.459 13.255 62 HA GLU 8 HA GLU 8 3.310 -5.906 15.801 63 HB2 GLU 8 2HB GLU 8 3.062 -4.109 14.119 64 HB3 GLU 8 1HB GLU 8 1.316 -4.250 14.226 65 HG2 GLU 8 2HG GLU 8 2.974 -3.590 16.642 66 HG3 GLU 8 1HG GLU 8 2.496 -2.344 15.494 67 H ILE 9 H ILE 9 2.461 -6.812 17.585 68 HA ILE 9 HA ILE 9 -0.484 -7.035 17.793 69 HB ILE 9 HB ILE 9 1.549 -9.000 18.874 70 HG12 ILE 9 2HG1 ILE 9 -0.424 -9.278 16.591 71 HG13 ILE 9 1HG1 ILE 9 1.324 -9.154 16.434 72 HG21 ILE 9 1HG2 ILE 9 -0.367 -10.365 19.511 73 HG22 ILE 9 2HG2 ILE 9 -1.467 -9.118 18.924 74 HG23 ILE 9 3HG2 ILE 9 -0.424 -8.793 20.309 75 HD11 ILE 9 3HD1 ILE 9 -0.182 -11.411 17.745 76 HD12 ILE 9 1HD1 ILE 9 1.575 -11.283 17.618 77 HD13 ILE 9 2HD1 ILE 9 0.593 -11.441 16.162 78 H ALA 10 H ALA 10 -1.202 -5.677 19.321 79 HA ALA 10 HA ALA 10 -1.495 -4.595 21.301 80 HB1 ALA 10 3HB ALA 10 -1.598 -6.894 22.144 81 HB2 ALA 10 1HB ALA 10 -0.898 -5.802 23.338 82 HB3 ALA 10 2HB ALA 10 0.146 -6.881 22.410 83 H GLY 11 H GLY 11 0.870 -3.874 19.681 84 HA2 GLY 11 2HA GLY 11 2.261 -1.976 20.117 85 HA3 GLY 11 1HA GLY 11 2.397 -2.487 21.790 86 H HIS 12 H HIS 12 2.832 -5.319 20.672 87 HA HIS 12 HA HIS 12 5.730 -5.104 20.534 88 HD1 HIS 12 HD1 HIS 12 6.405 -7.559 23.157 89 HD2 HIS 12 HD2 HIS 12 2.544 -6.123 22.635 90 HE1 HIS 12 HE1 HIS 12 5.506 -7.197 25.468 91 HE2 HIS 12 HE2 HIS 12 3.288 -6.069 25.105 92 HB2 HIS 12 2HB HIS 12 3.996 -7.593 20.480 93 HB3 HIS 12 1HB HIS 12 5.736 -7.534 20.750 94 H GLU 13 H GLU 13 6.526 -4.567 18.595 95 HA GLU 13 HA GLU 13 5.106 -5.332 16.156 96 HB2 GLU 13 2HB GLU 13 6.624 -3.676 15.067 97 HB3 GLU 13 1HB GLU 13 5.630 -2.999 16.350 98 HG2 GLU 13 2HG GLU 13 7.556 -3.150 17.887 99 HG3 GLU 13 1HG GLU 13 8.544 -3.750 16.556 100 H PHE 14 H PHE 14 5.721 -7.003 14.954 101 HA PHE 14 HA PHE 14 8.570 -7.805 14.924 102 HD1 PHE 14 HD1 PHE 14 9.109 -9.749 16.827 103 HD2 PHE 14 HD2 PHE 14 4.870 -9.523 16.453 104 HE1 PHE 14 HE1 PHE 14 8.877 -10.066 19.256 105 HE2 PHE 14 HE2 PHE 14 4.635 -9.839 18.877 106 HZ PHE 14 HZ PHE 14 6.638 -10.108 20.285 107 HB2 PHE 14 2HB PHE 14 6.194 -9.649 14.524 108 HB3 PHE 14 1HB PHE 14 7.888 -10.115 14.623 109 H ALA 15 H ALA 15 9.526 -7.834 12.941 110 HA ALA 15 HA ALA 15 7.930 -7.116 10.613 111 HB1 ALA 15 3HB ALA 15 10.067 -6.793 9.487 112 HB2 ALA 15 1HB ALA 15 10.916 -7.496 10.865 113 HB3 ALA 15 2HB ALA 15 10.056 -5.967 11.046 114 H ARG 16 H ARG 16 8.869 -9.998 12.030 115 HA ARG 16 HA ARG 16 8.412 -11.495 9.549 116 HE ARG 16 HE ARG 16 12.039 -13.251 11.944 117 HB2 ARG 16 2HB ARG 16 10.829 -11.283 9.698 118 HB3 ARG 16 1HB ARG 16 10.810 -11.850 11.360 119 HG2 ARG 16 2HG ARG 16 9.983 -14.046 10.561 120 HG3 ARG 16 1HG ARG 16 10.134 -13.461 8.901 121 HD2 ARG 16 2HD ARG 16 12.078 -14.815 9.652 122 HD3 ARG 16 1HD ARG 16 12.513 -13.177 9.161 123 HH11 ARG 16 1HH1 ARG 16 14.370 -14.239 9.608 124 HH12 ARG 16 2HH1 ARG 16 15.676 -14.174 10.734 125 HH21 ARG 16 1HH2 ARG 16 13.709 -13.159 13.368 126 HH22 ARG 16 2HH2 ARG 16 15.309 -13.559 12.849 127 H LYS 17 H LYS 17 7.507 -13.546 9.839 128 HA LYS 17 HA LYS 17 5.882 -13.964 12.077 129 HB2 LYS 17 2HB LYS 17 5.277 -14.972 10.001 130 HB3 LYS 17 1HB LYS 17 6.814 -15.812 9.878 131 HG2 LYS 17 2HG LYS 17 5.246 -17.460 10.428 132 HG3 LYS 17 1HG LYS 17 6.108 -17.129 11.928 133 HD2 LYS 17 2HD LYS 17 4.239 -15.691 12.664 134 HD3 LYS 17 1HD LYS 17 3.382 -16.055 11.162 135 HE2 LYS 17 2HE LYS 17 3.518 -18.490 11.798 136 HE3 LYS 17 1HE LYS 17 4.124 -17.977 13.370 137 HZ1 LYS 17 3HZ LYS 17 2.045 -16.673 13.613 138 HZ2 LYS 17 1HZ LYS 17 1.796 -18.346 13.533 139 HZ3 LYS 17 2HZ LYS 17 1.477 -17.377 12.183 140 H ALA 18 H ALA 18 9.039 -15.433 11.321 141 HA ALA 18 HA ALA 18 9.216 -17.293 13.367 142 HB1 ALA 18 3HB ALA 18 11.470 -15.565 12.335 143 HB2 ALA 18 1HB ALA 18 10.883 -17.042 11.568 144 HB3 ALA 18 2HB ALA 18 11.631 -17.114 13.164 145 H ASP 19 H ASP 19 9.624 -13.816 13.514 146 HA ASP 19 HA ASP 19 10.650 -13.663 16.159 147 HB2 ASP 19 2HB ASP 19 9.298 -11.697 14.320 148 HB3 ASP 19 1HB ASP 19 9.821 -11.250 15.937 149 H ALA 20 H ALA 20 7.357 -13.215 14.840 150 HA ALA 20 HA ALA 20 5.980 -12.823 17.234 151 HB1 ALA 20 3HB ALA 20 5.031 -14.317 14.784 152 HB2 ALA 20 1HB ALA 20 4.945 -12.574 15.031 153 HB3 ALA 20 2HB ALA 20 4.000 -13.657 16.054 154 H LEU 21 H LEU 21 6.961 -15.829 15.644 155 HA LEU 21 HA LEU 21 5.843 -17.636 17.503 156 HG LEU 21 HG LEU 21 6.200 -17.663 14.422 157 HB2 LEU 21 2HB LEU 21 8.275 -17.915 15.726 158 HB3 LEU 21 1HB LEU 21 7.552 -19.237 16.624 159 HD11 LEU 21 1HD1 LEU 21 7.963 -19.125 13.576 160 HD12 LEU 21 2HD1 LEU 21 6.369 -19.725 13.123 161 HD13 LEU 21 3HD1 LEU 21 7.258 -20.492 14.439 162 HD21 LEU 21 3HD2 LEU 21 4.599 -18.412 16.096 163 HD22 LEU 21 1HD2 LEU 21 5.242 -20.053 16.002 164 HD23 LEU 21 2HD2 LEU 21 4.422 -19.345 14.611 165 H ALA 22 H ALA 22 9.068 -16.134 17.331 166 HA ALA 22 HA ALA 22 10.286 -17.420 19.474 167 HB1 ALA 22 3HB ALA 22 11.468 -15.977 17.873 168 HB2 ALA 22 1HB ALA 22 11.833 -15.546 19.543 169 HB3 ALA 22 2HB ALA 22 10.713 -14.560 18.603 170 H PHE 23 H PHE 23 8.374 -14.403 19.524 171 HA PHE 23 HA PHE 23 8.609 -13.819 22.249 172 HD1 PHE 23 HD2 PHE 23 4.568 -13.389 22.257 173 HD2 PHE 23 HD1 PHE 23 7.976 -10.842 22.500 174 HE1 PHE 23 HE2 PHE 23 3.512 -12.152 24.103 175 HE2 PHE 23 HE1 PHE 23 6.919 -9.606 24.343 176 HZ PHE 23 HZ PHE 23 4.686 -10.259 25.146 177 HB2 PHE 23 2HB PHE 23 7.635 -12.275 20.576 178 HB3 PHE 23 1HB PHE 23 6.218 -13.309 20.453 179 H MET 24 H MET 24 5.934 -15.556 20.620 180 HA MET 24 HA MET 24 4.668 -16.341 23.039 181 HB2 MET 24 2HB MET 24 4.396 -17.303 20.189 182 HB3 MET 24 1HB MET 24 3.430 -17.963 21.503 183 HG2 MET 24 2HG MET 24 2.529 -15.738 21.964 184 HG3 MET 24 1HG MET 24 3.501 -15.070 20.655 185 HE1 MET 24 3HE MET 24 3.260 -16.903 18.193 186 HE2 MET 24 1HE MET 24 2.941 -15.168 18.202 187 HE3 MET 24 2HE MET 24 1.783 -16.271 17.460 188 H LYS 25 H LYS 25 7.317 -17.665 21.273 189 HA LYS 25 HA LYS 25 7.246 -20.334 22.238 190 HB2 LYS 25 2HB LYS 25 8.563 -19.588 20.276 191 HB3 LYS 25 1HB LYS 25 9.607 -18.661 21.339 192 HG2 LYS 25 2HG LYS 25 10.686 -20.715 20.673 193 HG3 LYS 25 1HG LYS 25 10.361 -20.739 22.406 194 HD2 LYS 25 2HD LYS 25 8.599 -22.277 22.165 195 HD3 LYS 25 1HD LYS 25 8.467 -21.989 20.429 196 HE2 LYS 25 2HE LYS 25 9.528 -24.169 21.031 197 HE3 LYS 25 1HE LYS 25 10.525 -23.137 20.008 198 HZ1 LYS 25 3HZ LYS 25 11.834 -24.126 21.752 199 HZ2 LYS 25 1HZ LYS 25 10.817 -23.492 22.942 200 HZ3 LYS 25 2HZ LYS 25 11.756 -22.457 21.990 201 H VAL 26 H VAL 26 9.229 -17.537 23.264 202 HA VAL 26 HA VAL 26 10.476 -18.784 25.441 203 HB VAL 26 HB VAL 26 9.851 -15.839 25.094 204 HG11 VAL 26 1HG1 VAL 26 11.900 -17.181 26.870 205 HG12 VAL 26 2HG1 VAL 26 10.427 -16.376 27.413 206 HG13 VAL 26 3HG1 VAL 26 11.709 -15.441 26.643 207 HG21 VAL 26 3HG2 VAL 26 12.171 -15.701 24.231 208 HG22 VAL 26 1HG2 VAL 26 11.125 -16.697 23.217 209 HG23 VAL 26 2HG2 VAL 26 12.281 -17.460 24.308 210 H MET 27 H MET 27 7.616 -16.589 25.511 211 HA MET 27 HA MET 27 7.301 -16.800 28.312 212 HB2 MET 27 2HB MET 27 5.197 -15.665 28.066 213 HB3 MET 27 1HB MET 27 6.370 -14.937 26.982 214 HG2 MET 27 2HG MET 27 5.376 -16.107 25.095 215 HG3 MET 27 1HG MET 27 4.225 -16.895 26.176 216 HE1 MET 27 3HE MET 27 3.166 -15.349 23.657 217 HE2 MET 27 1HE MET 27 1.860 -14.390 24.349 218 HE3 MET 27 2HE MET 27 2.096 -16.060 24.864 219 H LEU 28 H LEU 28 5.955 -18.742 25.681 220 HA LEU 28 HA LEU 28 4.035 -20.177 27.141 221 HG LEU 28 HG LEU 28 4.504 -23.009 25.884 222 HB2 LEU 28 2HB LEU 28 4.272 -20.242 24.687 223 HB3 LEU 28 1HB LEU 28 5.767 -21.139 24.859 224 HD11 LEU 28 1HD1 LEU 28 2.053 -23.019 25.748 225 HD12 LEU 28 2HD1 LEU 28 2.080 -21.343 25.200 226 HD13 LEU 28 3HD1 LEU 28 2.641 -21.750 26.822 227 HD21 LEU 28 3HD2 LEU 28 3.471 -22.128 23.186 228 HD22 LEU 28 1HD2 LEU 28 3.441 -23.772 23.824 229 HD23 LEU 28 2HD2 LEU 28 4.982 -22.989 23.482 230 H ASN 29 H ASN 29 7.454 -20.954 26.515 231 HA ASN 29 HA ASN 29 7.501 -23.256 28.200 232 HB2 ASN 29 2HB ASN 29 9.673 -21.595 26.921 233 HB3 ASN 29 1HB ASN 29 10.031 -22.993 27.932 234 HD21 ASN 29 1HD2 ASN 29 8.665 -21.924 24.921 235 HD22 ASN 29 2HD2 ASN 29 8.585 -23.478 24.175 236 H ARG 30 H ARG 30 7.724 -19.895 28.856 237 HA ARG 30 HA ARG 30 9.132 -19.984 31.320 238 HE ARG 30 HE ARG 30 8.034 -15.735 33.962 239 HB2 ARG 30 2HB ARG 30 8.798 -17.877 30.174 240 HB3 ARG 30 1HB ARG 30 7.052 -18.050 30.271 241 HG2 ARG 30 2HG ARG 30 7.195 -17.878 32.729 242 HG3 ARG 30 1HG ARG 30 8.937 -17.629 32.587 243 HD2 ARG 30 2HD ARG 30 8.546 -15.594 31.286 244 HD3 ARG 30 1HD ARG 30 6.803 -15.855 31.384 245 HH11 ARG 30 1HH1 ARG 30 6.838 -13.775 31.376 246 HH12 ARG 30 2HH1 ARG 30 6.528 -12.425 32.410 247 HH21 ARG 30 1HH2 ARG 30 7.643 -13.976 35.260 248 HH22 ARG 30 2HH2 ARG 30 6.990 -12.530 34.570 249 H TYR 31 H TYR 31 5.702 -20.327 30.494 250 HA TYR 31 HA TYR 31 4.971 -20.696 33.296 251 HD1 TYR 31 HD1 TYR 31 2.965 -18.804 33.988 252 HD2 TYR 31 HD2 TYR 31 3.822 -18.611 29.821 253 HE1 TYR 31 HE1 TYR 31 2.927 -16.347 34.095 254 HE2 TYR 31 HE2 TYR 31 3.793 -16.158 29.922 255 HH TYR 31 HH TYR 31 3.140 -14.372 31.199 256 HB2 TYR 31 2HB TYR 31 3.242 -20.698 30.809 257 HB3 TYR 31 1HB TYR 31 2.645 -20.784 32.462 258 H ARG 32 H ARG 32 3.668 -22.530 33.973 259 HA ARG 32 HA ARG 32 4.642 -25.043 32.766 260 HE ARG 32 HE ARG 32 7.717 -23.689 37.423 261 HB2 ARG 32 2HB ARG 32 3.543 -24.660 35.558 262 HB3 ARG 32 1HB ARG 32 4.510 -26.003 34.955 263 HG2 ARG 32 2HG ARG 32 6.481 -24.724 34.934 264 HG3 ARG 32 1HG ARG 32 5.597 -23.202 35.042 265 HD2 ARG 32 2HD ARG 32 4.821 -23.975 37.331 266 HD3 ARG 32 1HD ARG 32 6.019 -25.263 37.198 267 HH11 ARG 32 1HH1 ARG 32 4.649 -22.110 37.212 268 HH12 ARG 32 2HH1 ARG 32 5.266 -20.609 37.819 269 HH21 ARG 32 1HH2 ARG 32 8.492 -21.755 38.165 270 HH22 ARG 32 2HH2 ARG 32 7.423 -20.405 38.335 271 HA PRO 33 HA PRO 33 0.536 -26.503 31.759 272 HB2 PRO 33 2HB PRO 33 1.082 -28.950 33.359 273 HB3 PRO 33 1HB PRO 33 0.598 -28.792 31.666 274 HG2 PRO 33 2HG PRO 33 3.093 -29.430 32.331 275 HG3 PRO 33 1HG PRO 33 2.764 -28.381 30.947 276 HD2 PRO 33 2HD PRO 33 3.762 -27.679 33.681 277 HD3 PRO 33 1HD PRO 33 4.200 -26.985 32.105 278 H GLY 34 H GLY 34 -0.163 -24.810 33.271 279 HA2 GLY 34 2HA GLY 34 -2.332 -25.391 34.783 280 HA3 GLY 34 1HA GLY 34 -1.020 -25.597 35.934 281 H ASP 35 H ASP 35 0.552 -23.401 34.611 282 HA ASP 35 HA ASP 35 -0.387 -21.232 36.183 283 HB2 ASP 35 2HB ASP 35 1.733 -21.438 34.047 284 HB3 ASP 35 1HB ASP 35 1.336 -19.899 34.802 285 H ILE 36 H ILE 36 -1.640 -19.516 35.729 286 HA ILE 36 HA ILE 36 -2.964 -19.291 33.164 287 HB ILE 36 HB ILE 36 -3.104 -17.502 35.610 288 HG12 ILE 36 2HG1 ILE 36 -3.962 -19.769 36.034 289 HG13 ILE 36 1HG1 ILE 36 -5.269 -18.591 36.033 290 HG21 ILE 36 1HG2 ILE 36 -3.710 -16.261 33.608 291 HG22 ILE 36 2HG2 ILE 36 -5.142 -16.569 34.591 292 HG23 ILE 36 3HG2 ILE 36 -4.845 -17.527 33.139 293 HD11 ILE 36 3HD1 ILE 36 -4.571 -20.450 33.770 294 HD12 ILE 36 1HD1 ILE 36 -5.886 -19.274 33.772 295 HD13 ILE 36 2HD1 ILE 36 -5.916 -20.634 34.895 296 H VAL 37 H VAL 37 -2.611 -17.728 31.618 297 HA VAL 37 HA VAL 37 -0.034 -16.572 31.413 298 HB VAL 37 HB VAL 37 -2.530 -15.938 29.817 299 HG11 VAL 37 1HG1 VAL 37 -0.978 -15.169 28.076 300 HG12 VAL 37 2HG1 VAL 37 0.379 -15.443 29.169 301 HG13 VAL 37 3HG1 VAL 37 -0.826 -14.214 29.551 302 HG21 VAL 37 3HG2 VAL 37 -1.983 -18.312 29.736 303 HG22 VAL 37 1HG2 VAL 37 -0.318 -17.932 29.296 304 HG23 VAL 37 2HG2 VAL 37 -1.632 -17.550 28.184 305 H SER 38 H SER 38 0.649 -14.410 31.551 306 HA SER 38 HA SER 38 -0.447 -12.947 33.712 307 HG SER 38 HG SER 38 2.450 -12.071 31.104 308 HB2 SER 38 2HB SER 38 1.304 -11.359 33.368 309 HB3 SER 38 1HB SER 38 1.984 -12.933 32.957 310 H THR 39 H THR 39 -1.031 -10.625 33.654 311 HA THR 39 HA THR 39 -3.204 -10.036 31.979 312 HB THR 39 HB THR 39 -1.483 -8.022 33.462 313 HG1 THR 39 HG1 THR 39 -3.307 -8.371 35.052 314 HG21 THR 39 3HG2 THR 39 -3.061 -6.995 31.885 315 HG22 THR 39 1HG2 THR 39 -3.543 -6.686 33.552 316 HG23 THR 39 2HG2 THR 39 -4.385 -7.912 32.605 317 H VAL 40 H VAL 40 0.210 -9.493 31.558 318 HA VAL 40 HA VAL 40 -0.055 -7.579 29.412 319 HB VAL 40 HB VAL 40 2.377 -9.164 30.283 320 HG11 VAL 40 1HG1 VAL 40 2.177 -6.687 28.558 321 HG12 VAL 40 2HG1 VAL 40 2.592 -8.310 28.003 322 HG13 VAL 40 3HG1 VAL 40 3.673 -7.449 29.100 323 HG21 VAL 40 3HG2 VAL 40 1.484 -6.381 31.049 324 HG22 VAL 40 1HG2 VAL 40 3.034 -7.106 31.473 325 HG23 VAL 40 2HG2 VAL 40 1.537 -7.793 32.106 326 H ASP 41 H ASP 41 1.244 -10.919 29.551 327 HA ASP 41 HA ASP 41 1.424 -11.251 26.757 328 HB2 ASP 41 2HB ASP 41 1.105 -13.438 28.822 329 HB3 ASP 41 1HB ASP 41 1.805 -13.600 27.214 330 H GLY 42 H GLY 42 -1.186 -11.867 29.032 331 HA2 GLY 42 2HA GLY 42 -2.938 -13.356 27.445 332 HA3 GLY 42 1HA GLY 42 -3.429 -12.235 28.708 333 H ALA 43 H ALA 43 -2.677 -9.807 27.735 334 HA ALA 43 HA ALA 43 -4.699 -9.129 25.910 335 HB1 ALA 43 3HB ALA 43 -2.189 -7.566 26.540 336 HB2 ALA 43 1HB ALA 43 -3.681 -7.529 27.479 337 HB3 ALA 43 2HB ALA 43 -3.667 -6.923 25.823 338 H PHE 44 H PHE 44 -1.295 -9.891 25.415 339 HA PHE 44 HA PHE 44 -1.077 -9.282 22.676 340 HD1 PHE 44 HD1 PHE 44 0.506 -12.907 22.214 341 HD2 PHE 44 HD2 PHE 44 2.070 -8.944 22.342 342 HE1 PHE 44 HE1 PHE 44 1.898 -13.396 20.246 343 HE2 PHE 44 HE2 PHE 44 3.461 -9.432 20.373 344 HZ PHE 44 HZ PHE 44 3.376 -11.656 19.322 345 HB2 PHE 44 2HB PHE 44 0.833 -9.806 24.187 346 HB3 PHE 44 1HB PHE 44 0.311 -11.483 24.242 347 H LEU 45 H LEU 45 -1.978 -12.303 24.324 348 HA LEU 45 HA LEU 45 -2.421 -13.872 22.028 349 HG LEU 45 HG LEU 45 -1.123 -14.406 24.699 350 HB2 LEU 45 2HB LEU 45 -3.596 -14.065 24.803 351 HB3 LEU 45 1HB LEU 45 -3.786 -15.301 23.572 352 HD11 LEU 45 1HD1 LEU 45 -2.458 -15.524 26.406 353 HD12 LEU 45 2HD1 LEU 45 -1.115 -16.542 25.889 354 HD13 LEU 45 3HD1 LEU 45 -2.747 -16.877 25.311 355 HD21 LEU 45 3HD2 LEU 45 -1.868 -16.695 22.869 356 HD22 LEU 45 1HD2 LEU 45 -0.271 -16.432 23.576 357 HD23 LEU 45 2HD2 LEU 45 -0.933 -15.262 22.434 358 H VAL 46 H VAL 46 -4.614 -11.752 23.851 359 HA VAL 46 HA VAL 46 -7.020 -12.453 22.588 360 HB VAL 46 HB VAL 46 -6.235 -9.716 23.635 361 HG11 VAL 46 1HG1 VAL 46 -8.973 -10.898 23.147 362 HG12 VAL 46 2HG1 VAL 46 -8.201 -9.661 22.162 363 HG13 VAL 46 3HG1 VAL 46 -8.637 -9.308 23.833 364 HG21 VAL 46 3HG2 VAL 46 -7.387 -10.395 25.701 365 HG22 VAL 46 1HG2 VAL 46 -6.011 -11.441 25.354 366 HG23 VAL 46 2HG2 VAL 46 -7.649 -12.002 25.024 367 H GLU 47 H GLU 47 -4.697 -9.871 21.731 368 HA GLU 47 HA GLU 47 -5.967 -9.004 19.376 369 HB2 GLU 47 2HB GLU 47 -3.052 -8.970 20.181 370 HB3 GLU 47 1HB GLU 47 -3.652 -8.200 18.721 371 HG2 GLU 47 2HG GLU 47 -4.567 -7.519 21.511 372 HG3 GLU 47 1HG GLU 47 -3.326 -6.643 20.614 373 H ALA 48 H ALA 48 -3.552 -11.561 19.890 374 HA ALA 48 HA ALA 48 -3.214 -12.293 17.179 375 HB1 ALA 48 3HB ALA 48 -2.208 -14.342 18.033 376 HB2 ALA 48 1HB ALA 48 -2.887 -14.030 19.632 377 HB3 ALA 48 2HB ALA 48 -1.658 -12.952 18.970 378 H LEU 49 H LEU 49 -5.692 -13.050 19.513 379 HA LEU 49 HA LEU 49 -6.871 -15.214 18.028 380 HG LEU 49 HG LEU 49 -9.854 -14.450 19.117 381 HB2 LEU 49 2HB LEU 49 -7.195 -15.107 20.416 382 HB3 LEU 49 1HB LEU 49 -7.907 -13.510 20.296 383 HD11 LEU 49 1HD1 LEU 49 -8.807 -16.334 18.010 384 HD12 LEU 49 2HD1 LEU 49 -10.162 -16.885 18.994 385 HD13 LEU 49 3HD1 LEU 49 -8.508 -17.117 19.564 386 HD21 LEU 49 3HD2 LEU 49 -10.835 -15.658 21.013 387 HD22 LEU 49 1HD2 LEU 49 -9.939 -14.234 21.544 388 HD23 LEU 49 2HD2 LEU 49 -9.233 -15.840 21.729 389 H LYS 50 H LYS 50 -7.554 -11.740 18.381 390 HA LYS 50 HA LYS 50 -10.019 -11.590 17.091 391 HB2 LYS 50 2HB LYS 50 -7.782 -9.556 17.172 392 HB3 LYS 50 1HB LYS 50 -9.414 -9.205 16.619 393 HG2 LYS 50 2HG LYS 50 -10.292 -9.746 18.834 394 HG3 LYS 50 1HG LYS 50 -8.659 -10.118 19.393 395 HD2 LYS 50 2HD LYS 50 -7.976 -7.805 18.941 396 HD3 LYS 50 1HD LYS 50 -9.604 -7.432 18.370 397 HE2 LYS 50 2HE LYS 50 -10.505 -7.895 20.582 398 HE3 LYS 50 1HE LYS 50 -8.905 -8.357 21.154 399 HZ1 LYS 50 3HZ LYS 50 -9.729 -5.660 20.242 400 HZ2 LYS 50 1HZ LYS 50 -8.151 -6.091 20.678 401 HZ3 LYS 50 2HZ LYS 50 -9.389 -6.127 21.829 402 H ARG 51 H ARG 51 -6.971 -12.243 15.657 403 HA ARG 51 HA ARG 51 -7.690 -11.224 13.025 404 HE ARG 51 HE ARG 51 -3.816 -8.830 15.137 405 HB2 ARG 51 2HB ARG 51 -5.249 -12.774 13.908 406 HB3 ARG 51 1HB ARG 51 -5.451 -11.932 12.374 407 HG2 ARG 51 2HG ARG 51 -5.597 -9.804 13.520 408 HG3 ARG 51 1HG ARG 51 -5.484 -10.614 15.083 409 HD2 ARG 51 2HD ARG 51 -3.244 -11.422 14.488 410 HD3 ARG 51 1HD ARG 51 -3.363 -10.584 12.937 411 HH11 ARG 51 1HH1 ARG 51 -1.314 -10.389 13.343 412 HH12 ARG 51 2HH1 ARG 51 -0.146 -9.181 13.732 413 HH21 ARG 51 1HH2 ARG 51 -2.329 -7.311 15.616 414 HH22 ARG 51 2HH2 ARG 51 -0.716 -7.448 15.011 415 H HIS 52 H HIS 52 -8.992 -13.655 14.436 416 HA HIS 52 HA HIS 52 -8.710 -15.565 12.191 417 HD1 HIS 52 HD1 HIS 52 -7.929 -18.764 14.842 418 HD2 HIS 52 HD2 HIS 52 -6.791 -14.767 14.881 419 HE1 HIS 52 HE1 HIS 52 -5.589 -18.733 15.750 420 HE2 HIS 52 HE2 HIS 52 -5.020 -16.293 15.964 421 HB2 HIS 52 2HB HIS 52 -9.824 -16.067 14.973 422 HB3 HIS 52 1HB HIS 52 -9.616 -17.273 13.711 423 HA PRO 53 HA PRO 53 -13.016 -14.504 11.083 424 HB2 PRO 53 2HB PRO 53 -13.538 -16.879 9.750 425 HB3 PRO 53 1HB PRO 53 -12.775 -15.469 9.011 426 HG2 PRO 53 2HG PRO 53 -11.501 -17.939 10.133 427 HG3 PRO 53 1HG PRO 53 -11.107 -17.053 8.646 428 HD2 PRO 53 2HD PRO 53 -9.616 -16.781 10.856 429 HD3 PRO 53 1HD PRO 53 -9.947 -15.388 9.802 430 H ASP 54 H ASP 54 -11.844 -17.403 12.565 431 HA ASP 54 HA ASP 54 -14.300 -18.355 13.664 432 HB2 ASP 54 2HB ASP 54 -12.694 -20.003 13.341 433 HB3 ASP 54 1HB ASP 54 -11.381 -18.984 13.914 434 H ALA 55 H ALA 55 -12.134 -15.849 14.562 435 HA ALA 55 HA ALA 55 -11.971 -15.969 17.317 436 HB1 ALA 55 3HB ALA 55 -10.718 -14.373 15.939 437 HB2 ALA 55 1HB ALA 55 -11.527 -13.583 17.292 438 HB3 ALA 55 2HB ALA 55 -12.197 -13.454 15.667 439 H THR 56 H THR 56 -14.483 -14.265 15.427 440 HA THR 56 HA THR 56 -15.968 -13.153 17.455 441 HB THR 56 HB THR 56 -16.570 -12.683 15.186 442 HG1 THR 56 HG1 THR 56 -18.949 -13.739 15.457 443 HG21 THR 56 3HG2 THR 56 -17.605 -14.328 13.696 444 HG22 THR 56 1HG2 THR 56 -17.427 -15.575 14.930 445 HG23 THR 56 2HG2 THR 56 -15.997 -14.858 14.188 446 H SER 57 H SER 57 -16.029 -16.526 16.392 447 HA SER 57 HA SER 57 -18.157 -17.327 18.147 448 HG SER 57 HG SER 57 -17.032 -20.661 17.623 449 HB2 SER 57 2HB SER 57 -17.640 -18.607 16.101 450 HB3 SER 57 1HB SER 57 -16.055 -19.020 16.755 451 H LYS 58 H LYS 58 -14.597 -17.780 18.226 452 HA LYS 58 HA LYS 58 -14.713 -18.796 20.929 453 HB2 LYS 58 2HB LYS 58 -12.505 -18.357 18.962 454 HB3 LYS 58 1HB LYS 58 -12.107 -18.550 20.666 455 HG2 LYS 58 2HG LYS 58 -13.715 -20.651 20.429 456 HG3 LYS 58 1HG LYS 58 -13.220 -20.523 18.741 457 HD2 LYS 58 2HD LYS 58 -11.226 -20.544 20.996 458 HD3 LYS 58 1HD LYS 58 -11.838 -22.030 20.276 459 HE2 LYS 58 2HE LYS 58 -10.482 -19.823 18.729 460 HE3 LYS 58 1HE LYS 58 -9.664 -21.262 19.341 461 HZ1 LYS 58 3HZ LYS 58 -10.224 -21.704 17.115 462 HZ2 LYS 58 1HZ LYS 58 -11.804 -21.128 17.300 463 HZ3 LYS 58 2HZ LYS 58 -11.333 -22.574 18.040 464 H ILE 59 H ILE 59 -15.316 -15.833 20.080 465 HA ILE 59 HA ILE 59 -14.093 -14.795 22.560 466 HB ILE 59 HB ILE 59 -15.380 -13.274 20.273 467 HG12 ILE 59 2HG1 ILE 59 -12.535 -13.261 21.331 468 HG13 ILE 59 1HG1 ILE 59 -13.068 -14.081 19.868 469 HG21 ILE 59 1HG2 ILE 59 -14.795 -11.226 21.518 470 HG22 ILE 59 2HG2 ILE 59 -14.291 -12.215 22.891 471 HG23 ILE 59 3HG2 ILE 59 -15.979 -12.211 22.376 472 HD11 ILE 59 3HD1 ILE 59 -11.966 -11.999 19.340 473 HD12 ILE 59 1HD1 ILE 59 -13.105 -11.110 20.352 474 HD13 ILE 59 2HD1 ILE 59 -13.669 -11.921 18.889 475 H GLY 60 H GLY 60 -17.150 -14.962 20.746 476 HA2 GLY 60 2HA GLY 60 -19.337 -15.069 21.422 477 HA3 GLY 60 1HA GLY 60 -18.709 -16.009 22.762 478 HA PRO 61 HA PRO 61 -20.524 -12.636 25.112 479 HB2 PRO 61 2HB PRO 61 -20.176 -13.683 27.572 480 HB3 PRO 61 1HB PRO 61 -21.383 -14.315 26.447 481 HG2 PRO 61 2HG PRO 61 -18.644 -15.368 27.073 482 HG3 PRO 61 1HG PRO 61 -20.168 -16.258 26.894 483 HD2 PRO 61 2HD PRO 61 -18.297 -16.077 24.909 484 HD3 PRO 61 1HD PRO 61 -20.034 -16.271 24.595 485 H GLY 62 H GLY 62 -17.217 -13.733 25.385 486 HA2 GLY 62 2HA GLY 62 -15.898 -11.431 25.546 487 HA3 GLY 62 1HA GLY 62 -16.497 -11.544 27.192 488 H VAL 63 H VAL 63 -13.899 -11.334 27.012 489 HA VAL 63 HA VAL 63 -12.608 -13.948 26.847 490 HB VAL 63 HB VAL 63 -11.429 -11.202 27.354 491 HG11 VAL 63 1HG1 VAL 63 -10.044 -12.955 28.349 492 HG12 VAL 63 2HG1 VAL 63 -9.249 -12.244 26.946 493 HG13 VAL 63 3HG1 VAL 63 -10.021 -13.824 26.814 494 HG21 VAL 63 3HG2 VAL 63 -11.427 -12.911 24.859 495 HG22 VAL 63 1HG2 VAL 63 -10.612 -11.357 25.050 496 HG23 VAL 63 2HG2 VAL 63 -12.372 -11.443 25.109 497 H ARG 64 H ARG 64 -12.262 -15.201 28.585 498 HA ARG 64 HA ARG 64 -12.627 -14.116 31.276 499 HE ARG 64 HE ARG 64 -13.140 -17.782 34.673 500 HB2 ARG 64 2HB ARG 64 -13.698 -16.261 30.588 501 HB3 ARG 64 1HB ARG 64 -12.102 -16.969 30.396 502 HG2 ARG 64 2HG ARG 64 -11.678 -16.642 32.794 503 HG3 ARG 64 1HG ARG 64 -13.293 -15.949 32.977 504 HD2 ARG 64 2HD ARG 64 -14.263 -18.072 32.160 505 HD3 ARG 64 1HD ARG 64 -12.641 -18.757 32.065 506 HH11 ARG 64 1HH1 ARG 64 -13.955 -20.394 32.568 507 HH12 ARG 64 2HH1 ARG 64 -14.317 -21.468 33.873 508 HH21 ARG 64 1HH2 ARG 64 -13.585 -19.169 36.324 509 HH22 ARG 64 2HH2 ARG 64 -14.073 -20.796 35.976 510 H ASN 65 H ASN 65 -10.251 -16.419 29.919 511 HA ASN 65 HA ASN 65 -8.007 -14.750 30.403 512 HB2 ASN 65 2HB ASN 65 -6.890 -16.144 32.135 513 HB3 ASN 65 1HB ASN 65 -8.327 -15.329 32.734 514 HD21 ASN 65 1HD2 ASN 65 -9.981 -16.522 33.516 515 HD22 ASN 65 2HD2 ASN 65 -9.966 -18.248 33.614 516 H PHE 66 H PHE 66 -5.920 -16.382 30.447 517 HA PHE 66 HA PHE 66 -6.358 -18.510 28.447 518 HD1 PHE 66 HD1 PHE 66 -5.805 -14.680 28.021 519 HD2 PHE 66 HD2 PHE 66 -5.305 -18.051 25.462 520 HE1 PHE 66 HE1 PHE 66 -6.984 -13.489 26.223 521 HE2 PHE 66 HE2 PHE 66 -6.484 -16.861 23.661 522 HZ PHE 66 HZ PHE 66 -7.329 -14.578 24.041 523 HB2 PHE 66 2HB PHE 66 -4.131 -16.454 28.492 524 HB3 PHE 66 1HB PHE 66 -4.087 -17.909 27.506 525 H GLU 67 H GLU 67 -5.151 -20.394 28.747 526 HA GLU 67 HA GLU 67 -3.422 -20.455 31.146 527 HB2 GLU 67 2HB GLU 67 -5.664 -21.421 31.603 528 HB3 GLU 67 1HB GLU 67 -5.388 -22.607 30.334 529 HG2 GLU 67 2HG GLU 67 -3.542 -23.561 31.568 530 HG3 GLU 67 1HG GLU 67 -3.685 -22.311 32.805 531 H VAL 68 H VAL 68 -1.670 -21.882 31.136 532 HA VAL 68 HA VAL 68 -0.847 -22.756 28.448 533 HB VAL 68 HB VAL 68 0.818 -22.293 30.938 534 HG11 VAL 68 1HG1 VAL 68 2.764 -22.573 29.454 535 HG12 VAL 68 2HG1 VAL 68 1.683 -23.026 28.137 536 HG13 VAL 68 3HG1 VAL 68 1.803 -24.050 29.568 537 HG21 VAL 68 3HG2 VAL 68 -0.051 -20.227 29.961 538 HG22 VAL 68 1HG2 VAL 68 0.578 -20.695 28.381 539 HG23 VAL 68 2HG2 VAL 68 1.690 -20.352 29.706 540 H ARG 69 H ARG 69 -1.055 -24.841 27.963 541 HA ARG 69 HA ARG 69 -0.340 -26.867 29.994 542 HE ARG 69 HE ARG 69 -5.413 -26.318 31.250 543 HB2 ARG 69 2HB ARG 69 -2.609 -27.069 27.994 544 HB3 ARG 69 1HB ARG 69 -2.040 -28.395 28.997 545 HG2 ARG 69 2HG ARG 69 -2.663 -27.088 31.012 546 HG3 ARG 69 1HG ARG 69 -3.327 -25.839 29.954 547 HD2 ARG 69 2HD ARG 69 -4.897 -27.468 29.010 548 HD3 ARG 69 1HD ARG 69 -4.231 -28.721 30.060 549 HH11 ARG 69 1HH1 ARG 69 -5.459 -29.721 30.756 550 HH12 ARG 69 2HH1 ARG 69 -6.686 -29.991 31.944 551 HH21 ARG 69 1HH2 ARG 69 -6.972 -26.659 32.771 552 HH22 ARG 69 2HH2 ARG 69 -7.549 -28.264 33.063 553 H SER 70 H SER 70 0.428 -28.934 29.038 554 HA SER 70 HA SER 70 2.236 -28.451 26.858 555 HG SER 70 HG SER 70 3.191 -30.444 29.639 556 HB2 SER 70 2HB SER 70 1.581 -30.992 28.376 557 HB3 SER 70 1HB SER 70 2.840 -30.875 27.146 558 H ALA 71 H ALA 71 2.313 -29.570 24.834 559 HA ALA 71 HA ALA 71 -0.331 -30.506 23.894 560 HB1 ALA 71 3HB ALA 71 0.402 -28.419 22.840 561 HB2 ALA 71 1HB ALA 71 0.305 -29.734 21.668 562 HB3 ALA 71 2HB ALA 71 1.876 -29.214 22.283 563 H ASP 72 H ASP 72 2.854 -30.826 22.348 564 HA ASP 72 HA ASP 72 2.336 -33.644 21.894 565 HB2 ASP 72 2HB ASP 72 4.685 -31.928 21.041 566 HB3 ASP 72 1HB ASP 72 4.367 -33.572 20.497 567 H TYR 73 H TYR 73 5.514 -32.263 22.709 568 HA TYR 73 HA TYR 73 5.679 -34.068 25.037 569 HD1 TYR 73 HD1 TYR 73 5.917 -36.707 24.250 570 HD2 TYR 73 HD2 TYR 73 7.078 -34.380 20.876 571 HE1 TYR 73 HE1 TYR 73 4.791 -38.306 22.767 572 HE2 TYR 73 HE2 TYR 73 5.953 -35.979 19.382 573 HH TYR 73 HH TYR 73 3.758 -38.266 20.476 574 HB2 TYR 73 2HB TYR 73 7.919 -33.818 23.009 575 HB3 TYR 73 1HB TYR 73 7.797 -34.965 24.342 576 H GLY 74 H GLY 74 7.881 -31.850 23.309 577 HA2 GLY 74 2HA GLY 74 8.437 -30.462 25.846 578 HA3 GLY 74 1HA GLY 74 9.403 -30.356 24.381 579 H THR 75 H THR 75 6.556 -30.105 23.052 580 HA THR 75 HA THR 75 6.475 -27.177 23.210 581 HB THR 75 HB THR 75 4.976 -27.334 21.212 582 HG1 THR 75 HG1 THR 75 4.233 -29.230 20.626 583 HG21 THR 75 3HG2 THR 75 7.408 -27.017 20.962 584 HG22 THR 75 1HG2 THR 75 6.734 -27.963 19.633 585 HG23 THR 75 2HG2 THR 75 7.625 -28.768 20.925 586 H GLN 76 H GLN 76 4.839 -26.050 24.030 587 HA GLN 76 HA GLN 76 2.542 -27.477 25.198 588 HB2 GLN 76 2HB GLN 76 3.648 -24.712 25.756 589 HB3 GLN 76 1HB GLN 76 2.302 -25.454 26.605 590 HG2 GLN 76 2HG GLN 76 3.647 -26.799 27.855 591 HG3 GLN 76 1HG GLN 76 4.866 -26.947 26.589 592 HE21 GLN 76 1HE2 GLN 76 3.692 -24.952 29.201 593 HE22 GLN 76 2HE2 GLN 76 5.096 -23.958 29.335 594 H CYS 77 H CYS 77 0.664 -25.570 25.452 595 HA CYS 77 HA CYS 77 0.297 -24.121 22.950 596 HG CYS 77 HG CYS 77 0.754 -26.351 21.639 597 HB2 CYS 77 2HB CYS 77 -1.568 -26.330 23.845 598 HB3 CYS 77 1HB CYS 77 -2.057 -25.076 22.710 599 H PHE 78 H PHE 78 -1.198 -22.424 23.072 600 HA PHE 78 HA PHE 78 -1.885 -21.553 25.762 601 HD1 PHE 78 HD2 PHE 78 -0.840 -19.117 26.366 602 HD2 PHE 78 HD1 PHE 78 0.060 -20.073 22.310 603 HE1 PHE 78 HE2 PHE 78 1.451 -18.285 26.678 604 HE2 PHE 78 HE1 PHE 78 2.353 -19.236 22.623 605 HZ PHE 78 HZ PHE 78 3.048 -18.341 24.810 606 HB2 PHE 78 2HB PHE 78 -2.169 -20.191 23.071 607 HB3 PHE 78 1HB PHE 78 -2.635 -19.456 24.601 608 H TRP 79 H TRP 79 -3.769 -22.062 26.661 609 HA TRP 79 HA TRP 79 -6.022 -22.887 24.997 610 HD1 TRP 79 HD1 TRP 79 -3.297 -24.553 26.775 611 HE1 TRP 79 HE1 TRP 79 -3.238 -27.066 26.195 612 HE3 TRP 79 HE3 TRP 79 -8.321 -25.472 26.629 613 HZ2 TRP 79 HZ2 TRP 79 -5.078 -29.156 25.739 614 HZ3 TRP 79 HZ3 TRP 79 -9.092 -27.749 26.107 615 HH2 TRP 79 HH2 TRP 79 -7.504 -29.553 25.671 616 HB2 TRP 79 2HB TRP 79 -5.468 -23.114 27.958 617 HB3 TRP 79 1HB TRP 79 -7.026 -23.533 27.252 618 H ILE 80 H ILE 80 -7.729 -21.677 24.615 619 HA ILE 80 HA ILE 80 -7.927 -19.006 25.740 620 HB ILE 80 HB ILE 80 -9.587 -20.328 23.578 621 HG12 ILE 80 2HG1 ILE 80 -7.196 -18.479 23.321 622 HG13 ILE 80 1HG1 ILE 80 -7.197 -20.203 22.962 623 HG21 ILE 80 1HG2 ILE 80 -9.292 -17.421 24.338 624 HG22 ILE 80 2HG2 ILE 80 -10.713 -18.431 24.603 625 HG23 ILE 80 3HG2 ILE 80 -10.208 -18.037 22.961 626 HD11 ILE 80 3HD1 ILE 80 -7.328 -18.887 20.934 627 HD12 ILE 80 1HD1 ILE 80 -8.787 -18.089 21.522 628 HD13 ILE 80 2HD1 ILE 80 -8.809 -19.816 21.163 629 H LEU 81 H LEU 81 -8.937 -18.954 27.712 630 HA LEU 81 HA LEU 81 -11.336 -20.556 28.180 631 HG LEU 81 HG LEU 81 -9.422 -20.680 31.397 632 HB2 LEU 81 2HB LEU 81 -9.799 -18.670 29.979 633 HB3 LEU 81 1HB LEU 81 -11.270 -19.488 30.464 634 HD11 LEU 81 1HD1 LEU 81 -9.704 -22.906 30.443 635 HD12 LEU 81 2HD1 LEU 81 -10.466 -22.203 29.015 636 HD13 LEU 81 3HD1 LEU 81 -11.248 -22.067 30.592 637 HD21 LEU 81 3HD2 LEU 81 -7.614 -21.634 30.062 638 HD22 LEU 81 1HD2 LEU 81 -7.652 -19.876 29.928 639 HD23 LEU 81 2HD2 LEU 81 -8.273 -20.874 28.612 640 H ARG 82 H ARG 82 -13.360 -19.808 27.942 641 HA ARG 82 HA ARG 82 -13.768 -16.927 27.441 642 HE ARG 82 HE ARG 82 -12.418 -17.293 26.241 643 HB2 ARG 82 2HB ARG 82 -15.591 -19.275 26.853 644 HB3 ARG 82 1HB ARG 82 -15.907 -17.600 26.421 645 HG2 ARG 82 2HG ARG 82 -13.625 -19.276 25.373 646 HG3 ARG 82 1HG ARG 82 -15.132 -18.943 24.519 647 HD2 ARG 82 2HD ARG 82 -13.542 -17.435 23.644 648 HD3 ARG 82 1HD ARG 82 -14.558 -16.483 24.723 649 HH11 ARG 82 1HH1 ARG 82 -12.765 -15.549 23.298 650 HH12 ARG 82 2HH1 ARG 82 -11.384 -14.556 23.598 651 HH21 ARG 82 1HH2 ARG 82 -10.635 -16.057 26.607 652 HH22 ARG 82 2HH2 ARG 82 -10.176 -14.853 25.457 653 H THR 83 H THR 83 -15.496 -15.781 28.471 654 HA THR 83 HA THR 83 -15.988 -16.341 31.185 655 HB THR 83 HB THR 83 -17.758 -14.623 31.088 656 HG1 THR 83 HG1 THR 83 -18.694 -14.134 29.252 657 HG21 THR 83 3HG2 THR 83 -15.414 -13.896 31.230 658 HG22 THR 83 1HG2 THR 83 -16.385 -12.747 30.311 659 HG23 THR 83 2HG2 THR 83 -15.314 -13.867 29.470 660 H ASP 84 H ASP 84 -17.672 -17.286 28.289 661 HA ASP 84 HA ASP 84 -20.059 -18.318 29.244 662 HB2 ASP 84 2HB ASP 84 -19.546 -18.195 26.875 663 HB3 ASP 84 1HB ASP 84 -18.224 -19.341 27.062 664 H GLY 85 H GLY 85 -16.814 -19.660 29.484 665 HA2 GLY 85 2HA GLY 85 -16.379 -21.244 31.311 666 HA3 GLY 85 1HA GLY 85 -17.907 -22.014 30.915 667 H SER 86 H SER 86 -17.402 -21.796 28.009 668 HA SER 86 HA SER 86 -16.128 -24.273 27.558 669 HG SER 86 HG SER 86 -18.590 -23.002 26.583 670 HB2 SER 86 2HB SER 86 -16.743 -22.023 25.623 671 HB3 SER 86 1HB SER 86 -16.214 -23.635 25.142 672 H GLU 87 H GLU 87 -14.133 -24.809 26.615 673 HA GLU 87 HA GLU 87 -12.131 -22.651 26.410 674 HB2 GLU 87 2HB GLU 87 -10.418 -24.140 27.342 675 HB3 GLU 87 1HB GLU 87 -11.711 -23.851 28.493 676 HG2 GLU 87 2HG GLU 87 -11.662 -26.309 26.770 677 HG3 GLU 87 1HG GLU 87 -10.774 -26.224 28.288 678 H GLU 88 H GLU 88 -10.163 -23.342 25.177 679 HA GLU 88 HA GLU 88 -10.278 -25.501 23.307 680 HB2 GLU 88 2HB GLU 88 -11.955 -24.052 22.248 681 HB3 GLU 88 1HB GLU 88 -10.835 -22.700 22.274 682 HG2 GLU 88 2HG GLU 88 -10.926 -23.561 20.051 683 HG3 GLU 88 1HG GLU 88 -9.353 -23.963 20.727 684 H ARG 89 H ARG 89 -8.396 -25.312 21.696 685 HA ARG 89 HA ARG 89 -6.240 -23.568 22.726 686 HE ARG 89 HE ARG 89 -3.285 -27.576 22.390 687 HB2 ARG 89 2HB ARG 89 -4.647 -25.455 22.251 688 HB3 ARG 89 1HB ARG 89 -5.763 -25.762 23.576 689 HG2 ARG 89 2HG ARG 89 -7.171 -27.103 22.086 690 HG3 ARG 89 1HG ARG 89 -6.054 -26.798 20.756 691 HD2 ARG 89 2HD ARG 89 -5.322 -28.195 23.331 692 HD3 ARG 89 1HD ARG 89 -5.756 -29.018 21.834 693 HH11 ARG 89 1HH1 ARG 89 -5.262 -29.185 20.076 694 HH12 ARG 89 2HH1 ARG 89 -3.939 -29.537 19.023 695 HH21 ARG 89 1HH2 ARG 89 -1.589 -28.016 21.016 696 HH22 ARG 89 2HH2 ARG 89 -1.880 -28.889 19.552 697 H PHE 90 H PHE 90 -4.654 -22.895 21.169 698 HA PHE 90 HA PHE 90 -5.204 -23.590 18.362 699 HD1 PHE 90 HD1 PHE 90 -5.613 -20.825 21.295 700 HD2 PHE 90 HD2 PHE 90 -3.516 -19.591 17.796 701 HE1 PHE 90 HE1 PHE 90 -4.606 -18.968 22.555 702 HE2 PHE 90 HE2 PHE 90 -2.508 -17.732 19.055 703 HZ PHE 90 HZ PHE 90 -3.055 -17.418 21.435 704 HB2 PHE 90 2HB PHE 90 -5.075 -21.288 17.626 705 HB3 PHE 90 1HB PHE 90 -6.333 -21.432 18.844 706 H SER 91 H SER 91 -3.437 -23.850 17.093 707 HA SER 91 HA SER 91 -0.841 -23.844 18.402 708 HG SER 91 HG SER 91 -2.355 -25.933 17.666 709 HB2 SER 91 2HB SER 91 -1.650 -24.759 15.629 710 HB3 SER 91 1HB SER 91 -0.052 -24.976 16.340 711 H TYR 92 H TYR 92 -0.170 -21.726 18.577 712 HA TYR 92 HA TYR 92 -0.270 -19.707 16.673 713 HD1 TYR 92 HD1 TYR 92 0.948 -21.607 20.073 714 HD2 TYR 92 HD2 TYR 92 3.849 -19.234 18.044 715 HE1 TYR 92 HE1 TYR 92 2.747 -22.857 21.186 716 HE2 TYR 92 HE2 TYR 92 5.652 -20.483 19.155 717 HH TYR 92 HH TYR 92 5.971 -21.819 21.202 718 HB2 TYR 92 2HB TYR 92 1.559 -18.639 17.907 719 HB3 TYR 92 1HB TYR 92 0.389 -19.340 19.018 720 H LYS 93 H LYS 93 1.900 -22.419 16.881 721 HA LYS 93 HA LYS 93 3.899 -21.511 15.084 722 HB2 LYS 93 2HB LYS 93 4.514 -23.957 14.965 723 HB3 LYS 93 1HB LYS 93 4.475 -23.267 16.583 724 HG2 LYS 93 2HG LYS 93 2.268 -24.265 16.960 725 HG3 LYS 93 1HG LYS 93 2.299 -24.953 15.337 726 HD2 LYS 93 2HD LYS 93 4.323 -25.577 17.496 727 HD3 LYS 93 1HD LYS 93 2.908 -26.568 17.141 728 HE2 LYS 93 2HE LYS 93 3.746 -26.871 14.830 729 HE3 LYS 93 1HE LYS 93 5.190 -25.955 15.260 730 HZ1 LYS 93 3HZ LYS 93 4.335 -28.485 16.556 731 HZ2 LYS 93 1HZ LYS 93 5.752 -27.625 16.884 732 HZ3 LYS 93 2HZ LYS 93 5.536 -28.358 15.378 733 H LYS 94 H LYS 94 1.053 -23.640 14.571 734 HA LYS 94 HA LYS 94 1.668 -23.949 11.771 735 HB2 LYS 94 2HB LYS 94 -0.814 -24.767 13.301 736 HB3 LYS 94 1HB LYS 94 -0.451 -25.215 11.642 737 HG2 LYS 94 2HG LYS 94 1.692 -26.276 12.610 738 HG3 LYS 94 1HG LYS 94 0.879 -26.139 14.171 739 HD2 LYS 94 2HD LYS 94 -0.171 -27.604 11.739 740 HD3 LYS 94 1HD LYS 94 0.532 -28.355 13.171 741 HE2 LYS 94 2HE LYS 94 -1.908 -26.587 13.293 742 HE3 LYS 94 1HE LYS 94 -2.010 -28.322 13.013 743 HZ1 LYS 94 3HZ LYS 94 -1.075 -28.764 15.120 744 HZ2 LYS 94 1HZ LYS 94 -2.280 -27.603 15.372 745 HZ3 LYS 94 2HZ LYS 94 -0.653 -27.144 15.375 746 H CYS 95 H CYS 95 1.713 -21.600 11.384 747 HA CYS 95 HA CYS 95 -0.478 -20.777 9.849 748 HG CYS 95 HG CYS 95 -0.154 -20.080 14.081 749 HB2 CYS 95 2HB CYS 95 -1.281 -18.824 11.167 750 HB3 CYS 95 1HB CYS 95 -1.652 -20.360 11.942 751 H VAL 96 H VAL 96 1.974 -20.858 9.033 752 HA VAL 96 HA VAL 96 3.134 -18.148 9.225 753 HB VAL 96 HB VAL 96 4.359 -20.647 8.020 754 HG11 VAL 96 1HG1 VAL 96 5.263 -18.600 7.064 755 HG12 VAL 96 2HG1 VAL 96 6.465 -19.378 8.094 756 HG13 VAL 96 3HG1 VAL 96 5.584 -17.965 8.678 757 HG21 VAL 96 3HG2 VAL 96 5.750 -20.768 10.032 758 HG22 VAL 96 1HG2 VAL 96 4.038 -20.911 10.438 759 HG23 VAL 96 2HG2 VAL 96 4.888 -19.391 10.721 760 H LEU 97 H LEU 97 3.037 -20.588 6.633 761 HA LEU 97 HA LEU 97 1.745 -18.653 4.839 762 HG LEU 97 HG LEU 97 4.650 -17.959 5.165 763 HB2 LEU 97 2HB LEU 97 4.258 -20.227 4.270 764 HB3 LEU 97 1HB LEU 97 3.267 -19.546 2.994 765 HD11 LEU 97 1HD1 LEU 97 5.312 -18.218 2.233 766 HD12 LEU 97 2HD1 LEU 97 6.222 -18.933 3.565 767 HD13 LEU 97 3HD1 LEU 97 6.128 -17.180 3.403 768 HD21 LEU 97 3HD2 LEU 97 3.079 -17.045 2.751 769 HD22 LEU 97 1HD2 LEU 97 3.977 -15.997 3.853 770 HD23 LEU 97 2HD2 LEU 97 2.580 -16.902 4.436 771 H GLU 98 H GLU 98 0.523 -19.588 3.136 772 HA GLU 98 HA GLU 98 -0.300 -22.346 3.675 773 HB2 GLU 98 2HB GLU 98 -1.579 -20.222 1.941 774 HB3 GLU 98 1HB GLU 98 -2.223 -21.838 2.191 775 HG2 GLU 98 2HG GLU 98 -2.433 -21.340 4.607 776 HG3 GLU 98 1HG GLU 98 -1.889 -19.693 4.283 777 H HIS 99 H HIS 99 -0.863 -23.716 1.773 778 HA HIS 99 HA HIS 99 1.180 -23.532 -0.333 779 HD1 HIS 99 HD1 HIS 99 2.650 -25.005 1.409 780 HD2 HIS 99 HD2 HIS 99 -0.798 -27.159 2.272 781 HE1 HIS 99 HE1 HIS 99 3.047 -26.040 3.660 782 HE2 HIS 99 HE2 HIS 99 0.899 -27.214 4.221 783 HB2 HIS 99 2HB HIS 99 -0.804 -25.784 -0.031 784 HB3 HIS 99 1HB HIS 99 0.816 -25.827 -0.718 785 H HIS 100 H HIS 100 -1.584 -22.088 0.051 786 HA HIS 100 HA HIS 100 -3.446 -23.057 -1.790 787 HD1 HIS 100 HD1 HIS 100 -4.798 -18.744 -1.889 788 HD2 HIS 100 HD2 HIS 100 -6.134 -22.674 -1.684 789 HE1 HIS 100 HE1 HIS 100 -7.089 -18.729 -2.908 790 HE2 HIS 100 HE2 HIS 100 -7.930 -21.083 -2.642 791 HB2 HIS 100 2HB HIS 100 -3.913 -21.499 0.097 792 HB3 HIS 100 1HB HIS 100 -3.136 -20.206 -0.811 793 H HIS 101 H HIS 101 -0.883 -20.623 -2.254 794 HA HIS 101 HA HIS 101 -1.763 -19.999 -4.936 795 HD1 HIS 101 HD1 HIS 101 2.091 -18.997 -5.929 796 HD2 HIS 101 HD2 HIS 101 -1.445 -16.835 -5.635 797 HE1 HIS 101 HE1 HIS 101 2.106 -17.417 -7.870 798 HE2 HIS 101 HE2 HIS 101 -0.115 -16.253 -7.774 799 HB2 HIS 101 2HB HIS 101 -0.592 -18.366 -3.412 800 HB3 HIS 101 1HB HIS 101 0.889 -19.283 -3.660 801 H HIS 102 H HIS 102 0.019 -22.563 -3.636 802 HA HIS 102 HA HIS 102 0.824 -23.422 -6.300 803 HD1 HIS 102 HD1 HIS 102 2.752 -20.936 -3.436 804 HD2 HIS 102 HD2 HIS 102 3.709 -24.944 -2.937 805 HE1 HIS 102 HE1 HIS 102 3.584 -21.137 -1.079 806 HE2 HIS 102 HE2 HIS 102 3.958 -23.600 -0.742 807 HB2 HIS 102 2HB HIS 102 3.135 -24.041 -5.509 808 HB3 HIS 102 1HB HIS 102 2.846 -22.312 -5.656 809 H HIS 103 H HIS 103 -0.524 -25.158 -6.272 810 HA HIS 103 HA HIS 103 0.054 -27.354 -4.464 811 HD1 HIS 103 HD1 HIS 103 -1.386 -27.851 -1.525 812 HD2 HIS 103 HD2 HIS 103 -3.911 -28.653 -4.727 813 HE1 HIS 103 HE1 HIS 103 -2.625 -29.933 -0.895 814 HE2 HIS 103 HE2 HIS 103 -4.268 -30.297 -2.762 815 HB2 HIS 103 2HB HIS 103 -1.526 -25.945 -3.173 816 HB3 HIS 103 1HB HIS 103 -2.693 -26.068 -4.482 817 H HIS 104 H HIS 104 0.141 -29.073 -5.770 818 HA HIS 104 HA HIS 104 -2.090 -29.605 -7.578 819 HD1 HIS 104 HD1 HIS 104 1.653 -31.451 -9.467 820 HD2 HIS 104 HD2 HIS 104 1.866 -27.756 -7.582 821 HE1 HIS 104 HE1 HIS 104 4.090 -31.073 -9.010 822 HE2 HIS 104 HE2 HIS 104 4.207 -28.783 -7.978 823 HB2 HIS 104 2HB HIS 104 -0.552 -30.282 -9.429 824 HB3 HIS 104 1HB HIS 104 -0.525 -28.559 -9.081 Start of MODEL 4 1 HA MET 1 HA MET 1 7.684 -2.495 -4.939 2 H1 MET 1 1H MET 1 8.754 -0.767 -3.698 3 H2 MET 1 2H MET 1 8.794 -1.720 -2.304 4 H3 MET 1 3H MET 1 7.311 -1.201 -2.931 5 HB2 MET 1 2HB MET 1 10.156 -2.449 -4.835 6 HB3 MET 1 1HB MET 1 10.113 -3.528 -3.447 7 HG2 MET 1 2HG MET 1 9.029 -5.245 -4.861 8 HG3 MET 1 1HG MET 1 9.192 -4.166 -6.246 9 HE1 MET 1 3HE MET 1 11.554 -3.382 -7.229 10 HE2 MET 1 1HE MET 1 13.104 -3.908 -6.574 11 HE3 MET 1 2HE MET 1 12.064 -2.843 -5.629 12 H ALA 2 H ALA 2 8.489 -3.676 -1.654 13 HA ALA 2 HA ALA 2 6.935 -6.077 -1.992 14 HB1 ALA 2 3HB ALA 2 8.958 -6.041 -0.609 15 HB2 ALA 2 1HB ALA 2 7.549 -6.555 0.318 16 HB3 ALA 2 2HB ALA 2 8.177 -4.918 0.505 17 H LYS 3 H LYS 3 4.788 -6.149 -1.861 18 HA LYS 3 HA LYS 3 3.185 -4.040 -0.801 19 HB2 LYS 3 2HB LYS 3 2.460 -5.465 -2.671 20 HB3 LYS 3 1HB LYS 3 2.429 -6.863 -1.607 21 HG2 LYS 3 2HG LYS 3 0.187 -6.106 -1.936 22 HG3 LYS 3 1HG LYS 3 0.653 -5.753 -0.274 23 HD2 LYS 3 2HD LYS 3 -0.449 -3.813 -0.960 24 HD3 LYS 3 1HD LYS 3 1.255 -3.403 -1.151 25 HE2 LYS 3 2HE LYS 3 -0.577 -4.333 -3.371 26 HE3 LYS 3 1HE LYS 3 -0.146 -2.658 -3.048 27 HZ1 LYS 3 3HZ LYS 3 2.207 -3.316 -3.422 28 HZ2 LYS 3 1HZ LYS 3 1.222 -3.446 -4.790 29 HZ3 LYS 3 2HZ LYS 3 1.661 -4.832 -3.933 30 H ALA 4 H ALA 4 4.610 -6.814 0.634 31 HA ALA 4 HA ALA 4 2.691 -7.400 2.635 32 HB1 ALA 4 3HB ALA 4 4.426 -8.775 3.641 33 HB2 ALA 4 1HB ALA 4 5.645 -8.012 2.617 34 HB3 ALA 4 2HB ALA 4 4.382 -9.007 1.894 35 H GLN 5 H GLN 5 2.647 -6.947 4.831 36 HA GLN 5 HA GLN 5 4.138 -4.544 5.698 37 HB2 GLN 5 2HB GLN 5 1.400 -5.530 6.542 38 HB3 GLN 5 1HB GLN 5 2.206 -4.114 7.200 39 HG2 GLN 5 2HG GLN 5 2.115 -3.009 5.053 40 HG3 GLN 5 1HG GLN 5 1.428 -4.452 4.307 41 HE21 GLN 5 1HE2 GLN 5 0.819 -1.787 6.478 42 HE22 GLN 5 2HE2 GLN 5 -0.903 -1.914 6.453 43 HA PRO 6 HA PRO 6 5.821 -6.837 9.190 44 HB2 PRO 6 2HB PRO 6 5.439 -4.358 10.777 45 HB3 PRO 6 1HB PRO 6 6.918 -5.267 10.444 46 HG2 PRO 6 2HG PRO 6 6.459 -2.912 9.264 47 HG3 PRO 6 1HG PRO 6 7.250 -4.239 8.391 48 HD2 PRO 6 2HD PRO 6 4.403 -3.299 8.230 49 HD3 PRO 6 1HD PRO 6 5.500 -3.800 6.925 50 H ILE 7 H ILE 7 5.155 -7.797 11.160 51 HA ILE 7 HA ILE 7 2.265 -7.922 11.424 52 HB ILE 7 HB ILE 7 4.432 -9.538 12.796 53 HG12 ILE 7 2HG1 ILE 7 3.476 -11.389 11.296 54 HG13 ILE 7 1HG1 ILE 7 2.666 -10.110 10.399 55 HG21 ILE 7 1HG2 ILE 7 2.438 -9.445 14.177 56 HG22 ILE 7 2HG2 ILE 7 2.624 -11.053 13.483 57 HG23 ILE 7 3HG2 ILE 7 1.437 -9.936 12.809 58 HD11 ILE 7 3HD1 ILE 7 4.721 -10.806 9.312 59 HD12 ILE 7 1HD1 ILE 7 5.643 -10.406 10.761 60 HD13 ILE 7 2HD1 ILE 7 4.836 -9.131 9.848 61 H GLU 8 H GLU 8 1.240 -6.536 12.755 62 HA GLU 8 HA GLU 8 2.568 -5.668 15.246 63 HB2 GLU 8 2HB GLU 8 1.825 -3.935 13.552 64 HB3 GLU 8 1HB GLU 8 0.168 -4.401 13.893 65 HG2 GLU 8 2HG GLU 8 2.021 -3.442 16.059 66 HG3 GLU 8 1HG GLU 8 1.105 -2.321 15.058 67 H ILE 9 H ILE 9 1.929 -6.695 17.046 68 HA ILE 9 HA ILE 9 -0.904 -7.487 17.331 69 HB ILE 9 HB ILE 9 1.440 -9.209 18.182 70 HG12 ILE 9 2HG1 ILE 9 -0.552 -9.658 15.939 71 HG13 ILE 9 1HG1 ILE 9 1.135 -9.198 15.724 72 HG21 ILE 9 1HG2 ILE 9 -0.265 -10.885 18.729 73 HG22 ILE 9 2HG2 ILE 9 -1.532 -9.740 18.291 74 HG23 ILE 9 3HG2 ILE 9 -0.484 -9.410 19.670 75 HD11 ILE 9 3HD1 ILE 9 1.833 -11.304 16.747 76 HD12 ILE 9 1HD1 ILE 9 0.816 -11.564 15.330 77 HD13 ILE 9 2HD1 ILE 9 0.140 -11.762 16.947 78 H ALA 10 H ALA 10 -1.637 -6.216 18.940 79 HA ALA 10 HA ALA 10 -1.930 -5.299 21.007 80 HB1 ALA 10 3HB ALA 10 -1.857 -7.667 21.663 81 HB2 ALA 10 1HB ALA 10 -1.225 -6.611 22.928 82 HB3 ALA 10 2HB ALA 10 -0.116 -7.535 21.914 83 H GLY 11 H GLY 11 0.220 -4.168 19.431 84 HA2 GLY 11 2HA GLY 11 1.561 -2.297 19.916 85 HA3 GLY 11 1HA GLY 11 1.639 -2.803 21.596 86 H HIS 12 H HIS 12 2.281 -5.510 19.865 87 HA HIS 12 HA HIS 12 5.194 -5.108 20.039 88 HD1 HIS 12 HD1 HIS 12 6.130 -6.626 22.420 89 HD2 HIS 12 HD2 HIS 12 2.090 -7.519 22.107 90 HE1 HIS 12 HE1 HIS 12 5.290 -6.756 24.775 91 HE2 HIS 12 HE2 HIS 12 2.906 -7.517 24.560 92 HB2 HIS 12 2HB HIS 12 3.622 -7.693 19.814 93 HB3 HIS 12 1HB HIS 12 5.360 -7.556 20.060 94 H GLU 13 H GLU 13 6.147 -4.569 18.172 95 HA GLU 13 HA GLU 13 4.891 -5.348 15.636 96 HB2 GLU 13 2HB GLU 13 7.108 -3.357 16.172 97 HB3 GLU 13 1HB GLU 13 6.347 -3.646 14.613 98 HG2 GLU 13 2HG GLU 13 4.187 -2.897 15.571 99 HG3 GLU 13 1HG GLU 13 5.019 -2.526 17.080 100 H PHE 14 H PHE 14 5.689 -6.920 14.432 101 HA PHE 14 HA PHE 14 8.449 -7.863 14.900 102 HD1 PHE 14 HD1 PHE 14 8.439 -9.945 16.735 103 HD2 PHE 14 HD2 PHE 14 4.412 -9.314 15.497 104 HE1 PHE 14 HE1 PHE 14 7.675 -10.335 19.039 105 HE2 PHE 14 HE2 PHE 14 3.643 -9.704 17.800 106 HZ PHE 14 HZ PHE 14 5.275 -10.215 19.575 107 HB2 PHE 14 2HB PHE 14 6.109 -9.497 13.881 108 HB3 PHE 14 1HB PHE 14 7.709 -10.093 14.311 109 H ALA 15 H ALA 15 9.785 -7.464 13.257 110 HA ALA 15 HA ALA 15 8.829 -6.561 10.705 111 HB1 ALA 15 3HB ALA 15 11.174 -6.252 10.154 112 HB2 ALA 15 1HB ALA 15 11.652 -7.182 11.574 113 HB3 ALA 15 2HB ALA 15 10.835 -5.631 11.770 114 H ARG 16 H ARG 16 8.907 -9.612 11.816 115 HA ARG 16 HA ARG 16 8.721 -10.752 9.206 116 HE ARG 16 HE ARG 16 13.834 -10.421 12.091 117 HB2 ARG 16 2HB ARG 16 10.537 -12.528 9.712 118 HB3 ARG 16 1HB ARG 16 11.046 -10.953 9.125 119 HG2 ARG 16 2HG ARG 16 11.609 -10.272 11.405 120 HG3 ARG 16 1HG ARG 16 11.085 -11.846 12.007 121 HD2 ARG 16 2HD ARG 16 12.878 -12.963 10.985 122 HD3 ARG 16 1HD ARG 16 13.216 -11.616 9.897 123 HH11 ARG 16 1HH1 ARG 16 14.355 -13.786 11.528 124 HH12 ARG 16 2HH1 ARG 16 15.762 -13.834 12.526 125 HH21 ARG 16 1HH2 ARG 16 15.643 -10.500 13.336 126 HH22 ARG 16 2HH2 ARG 16 16.492 -11.995 13.524 127 H LYS 17 H LYS 17 7.914 -12.913 9.204 128 HA LYS 17 HA LYS 17 6.006 -13.384 11.203 129 HB2 LYS 17 2HB LYS 17 5.567 -14.148 9.003 130 HB3 LYS 17 1HB LYS 17 7.053 -15.078 8.937 131 HG2 LYS 17 2HG LYS 17 5.093 -15.861 11.021 132 HG3 LYS 17 1HG LYS 17 4.634 -16.166 9.345 133 HD2 LYS 17 2HD LYS 17 7.172 -17.132 10.689 134 HD3 LYS 17 1HD LYS 17 5.748 -18.116 10.348 135 HE2 LYS 17 2HE LYS 17 6.065 -17.713 7.938 136 HE3 LYS 17 1HE LYS 17 7.502 -16.755 8.296 137 HZ1 LYS 17 3HZ LYS 17 8.106 -18.988 7.665 138 HZ2 LYS 17 1HZ LYS 17 7.146 -19.642 8.892 139 HZ3 LYS 17 2HZ LYS 17 8.514 -18.726 9.280 140 H ALA 18 H ALA 18 9.190 -14.889 10.700 141 HA ALA 18 HA ALA 18 8.958 -16.922 12.635 142 HB1 ALA 18 3HB ALA 18 11.466 -15.497 11.757 143 HB2 ALA 18 1HB ALA 18 10.712 -16.853 10.919 144 HB3 ALA 18 2HB ALA 18 11.375 -17.076 12.539 145 H ASP 19 H ASP 19 9.854 -13.540 12.931 146 HA ASP 19 HA ASP 19 10.917 -13.548 15.531 147 HB2 ASP 19 2HB ASP 19 11.087 -11.673 13.895 148 HB3 ASP 19 1HB ASP 19 9.378 -11.337 14.136 149 H ALA 20 H ALA 20 7.580 -13.092 14.390 150 HA ALA 20 HA ALA 20 6.377 -12.697 16.915 151 HB1 ALA 20 3HB ALA 20 5.158 -13.846 14.400 152 HB2 ALA 20 1HB ALA 20 5.259 -12.134 14.812 153 HB3 ALA 20 2HB ALA 20 4.267 -13.219 15.786 154 H LEU 21 H LEU 21 6.833 -15.662 14.982 155 HA LEU 21 HA LEU 21 5.530 -17.423 16.772 156 HG LEU 21 HG LEU 21 5.698 -17.179 13.618 157 HB2 LEU 21 2HB LEU 21 7.701 -17.989 14.744 158 HB3 LEU 21 1HB LEU 21 6.769 -19.221 15.575 159 HD11 LEU 21 1HD1 LEU 21 6.948 -18.982 12.563 160 HD12 LEU 21 2HD1 LEU 21 5.225 -19.134 12.222 161 HD13 LEU 21 3HD1 LEU 21 5.981 -20.179 13.426 162 HD21 LEU 21 3HD2 LEU 21 4.224 -19.343 15.131 163 HD22 LEU 21 1HD2 LEU 21 3.547 -18.330 13.854 164 HD23 LEU 21 2HD2 LEU 21 4.057 -17.605 15.377 165 H ALA 22 H ALA 22 8.883 -16.329 16.576 166 HA ALA 22 HA ALA 22 9.925 -18.093 18.554 167 HB1 ALA 22 3HB ALA 22 11.379 -16.964 16.951 168 HB2 ALA 22 1HB ALA 22 11.857 -16.585 18.606 169 HB3 ALA 22 2HB ALA 22 10.959 -15.402 17.653 170 H PHE 23 H PHE 23 8.874 -14.689 18.697 171 HA PHE 23 HA PHE 23 9.242 -14.124 21.364 172 HD1 PHE 23 HD1 PHE 23 9.001 -11.368 21.972 173 HD2 PHE 23 HD2 PHE 23 5.138 -12.880 20.994 174 HE1 PHE 23 HE1 PHE 23 8.010 -9.995 23.755 175 HE2 PHE 23 HE2 PHE 23 4.147 -11.506 22.778 176 HZ PHE 23 HZ PHE 23 5.583 -10.059 24.158 177 HB2 PHE 23 2HB PHE 23 8.491 -12.454 19.762 178 HB3 PHE 23 1HB PHE 23 6.960 -13.293 19.552 179 H MET 24 H MET 24 6.420 -15.715 19.892 180 HA MET 24 HA MET 24 5.066 -16.142 22.362 181 HB2 MET 24 2HB MET 24 4.720 -17.376 19.627 182 HB3 MET 24 1HB MET 24 3.687 -17.780 20.994 183 HG2 MET 24 2HG MET 24 3.044 -15.415 21.182 184 HG3 MET 24 1HG MET 24 4.038 -15.048 19.774 185 HE1 MET 24 3HE MET 24 3.441 -15.602 17.344 186 HE2 MET 24 1HE MET 24 2.135 -16.681 16.850 187 HE3 MET 24 2HE MET 24 3.536 -17.327 17.706 188 H LYS 25 H LYS 25 7.245 -18.168 20.417 189 HA LYS 25 HA LYS 25 6.882 -20.573 21.833 190 HB2 LYS 25 2HB LYS 25 8.041 -20.332 19.618 191 HB3 LYS 25 1HB LYS 25 9.431 -19.671 20.468 192 HG2 LYS 25 2HG LYS 25 9.857 -21.980 20.023 193 HG3 LYS 25 1HG LYS 25 9.579 -21.807 21.757 194 HD2 LYS 25 2HD LYS 25 7.225 -22.534 21.404 195 HD3 LYS 25 1HD LYS 25 7.597 -22.802 19.700 196 HE2 LYS 25 2HE LYS 25 8.838 -24.222 22.060 197 HE3 LYS 25 1HE LYS 25 7.677 -24.899 20.921 198 HZ1 LYS 25 3HZ LYS 25 9.322 -24.620 19.157 199 HZ2 LYS 25 1HZ LYS 25 9.906 -25.611 20.396 200 HZ3 LYS 25 2HZ LYS 25 10.438 -24.013 20.275 201 H VAL 26 H VAL 26 9.241 -17.949 22.336 202 HA VAL 26 HA VAL 26 10.696 -19.161 24.419 203 HB VAL 26 HB VAL 26 10.243 -16.211 23.905 204 HG11 VAL 26 1HG1 VAL 26 11.010 -16.584 26.193 205 HG12 VAL 26 2HG1 VAL 26 12.290 -15.855 25.223 206 HG13 VAL 26 3HG1 VAL 26 12.343 -17.578 25.599 207 HG21 VAL 26 3HG2 VAL 26 12.507 -18.034 23.069 208 HG22 VAL 26 1HG2 VAL 26 12.414 -16.299 22.771 209 HG23 VAL 26 2HG2 VAL 26 11.256 -17.388 22.007 210 H MET 27 H MET 27 8.083 -16.693 24.694 211 HA MET 27 HA MET 27 7.936 -16.832 27.508 212 HB2 MET 27 2HB MET 27 5.884 -15.584 27.358 213 HB3 MET 27 1HB MET 27 7.011 -14.956 26.166 214 HG2 MET 27 2HG MET 27 5.833 -16.181 24.406 215 HG3 MET 27 1HG MET 27 4.702 -16.816 25.605 216 HE1 MET 27 3HE MET 27 2.543 -15.918 24.413 217 HE2 MET 27 1HE MET 27 3.583 -15.419 23.079 218 HE3 MET 27 2HE MET 27 2.405 -14.290 23.746 219 H LEU 28 H LEU 28 6.490 -18.801 25.018 220 HA LEU 28 HA LEU 28 4.558 -20.165 26.544 221 HG LEU 28 HG LEU 28 5.079 -23.048 25.218 222 HB2 LEU 28 2HB LEU 28 4.673 -20.267 24.105 223 HB3 LEU 28 1HB LEU 28 6.202 -21.114 24.193 224 HD11 LEU 28 1HD1 LEU 28 2.634 -23.159 25.291 225 HD12 LEU 28 2HD1 LEU 28 2.543 -21.465 24.814 226 HD13 LEU 28 3HD1 LEU 28 3.259 -21.907 26.364 227 HD21 LEU 28 3HD2 LEU 28 3.845 -23.774 23.229 228 HD22 LEU 28 1HD2 LEU 28 5.350 -22.961 22.799 229 HD23 LEU 28 2HD2 LEU 28 3.812 -22.110 22.642 230 H ASN 29 H ASN 29 7.992 -20.932 25.945 231 HA ASN 29 HA ASN 29 8.007 -23.171 27.746 232 HB2 ASN 29 2HB ASN 29 10.222 -21.614 26.411 233 HB3 ASN 29 1HB ASN 29 10.542 -22.929 27.536 234 HD21 ASN 29 1HD2 ASN 29 9.398 -22.084 24.380 235 HD22 ASN 29 2HD2 ASN 29 9.374 -23.690 23.751 236 H ARG 30 H ARG 30 8.411 -19.751 28.104 237 HA ARG 30 HA ARG 30 9.774 -19.716 30.594 238 HE ARG 30 HE ARG 30 9.107 -18.275 33.314 239 HB2 ARG 30 2HB ARG 30 9.435 -17.768 29.009 240 HB3 ARG 30 1HB ARG 30 7.784 -17.663 29.595 241 HG2 ARG 30 2HG ARG 30 10.137 -17.473 31.458 242 HG3 ARG 30 1HG ARG 30 9.532 -16.072 30.582 243 HD2 ARG 30 2HD ARG 30 8.095 -15.753 32.261 244 HD3 ARG 30 1HD ARG 30 7.260 -17.218 31.750 245 HH11 ARG 30 1HH1 ARG 30 7.212 -15.446 33.814 246 HH12 ARG 30 2HH1 ARG 30 7.234 -15.598 35.534 247 HH21 ARG 30 1HH2 ARG 30 9.127 -18.472 35.519 248 HH22 ARG 30 2HH2 ARG 30 8.303 -17.307 36.497 249 H TYR 31 H TYR 31 6.307 -19.629 29.774 250 HA TYR 31 HA TYR 31 5.528 -19.921 32.551 251 HD1 TYR 31 HD1 TYR 31 3.319 -18.272 33.238 252 HD2 TYR 31 HD2 TYR 31 4.554 -17.751 29.194 253 HE1 TYR 31 HE1 TYR 31 3.195 -15.833 33.516 254 HE2 TYR 31 HE2 TYR 31 4.430 -15.313 29.467 255 HH TYR 31 HH TYR 31 3.426 -13.661 30.847 256 HB2 TYR 31 2HB TYR 31 3.929 -19.926 29.981 257 HB3 TYR 31 1HB TYR 31 3.206 -20.139 31.573 258 H ARG 32 H ARG 32 5.101 -21.764 33.591 259 HA ARG 32 HA ARG 32 6.029 -24.215 32.530 260 HE ARG 32 HE ARG 32 7.066 -25.789 36.216 261 HB2 ARG 32 2HB ARG 32 4.375 -23.723 35.017 262 HB3 ARG 32 1HB ARG 32 5.297 -25.178 34.661 263 HG2 ARG 32 2HG ARG 32 7.372 -23.890 34.718 264 HG3 ARG 32 1HG ARG 32 6.457 -22.421 35.059 265 HD2 ARG 32 2HD ARG 32 7.385 -23.277 37.115 266 HD3 ARG 32 1HD ARG 32 5.631 -23.465 37.147 267 HH11 ARG 32 1HH1 ARG 32 5.698 -24.178 38.941 268 HH12 ARG 32 2HH1 ARG 32 5.696 -25.606 39.918 269 HH21 ARG 32 1HH2 ARG 32 7.059 -27.596 37.465 270 HH22 ARG 32 2HH2 ARG 32 6.446 -27.533 39.082 271 HA PRO 33 HA PRO 33 2.484 -25.900 30.460 272 HB2 PRO 33 2HB PRO 33 3.336 -28.568 31.435 273 HB3 PRO 33 1HB PRO 33 3.180 -27.969 29.780 274 HG2 PRO 33 2HG PRO 33 5.588 -28.353 30.869 275 HG3 PRO 33 1HG PRO 33 5.280 -26.965 29.805 276 HD2 PRO 33 2HD PRO 33 5.393 -27.056 32.809 277 HD3 PRO 33 1HD PRO 33 6.114 -25.873 31.695 278 H GLY 34 H GLY 34 2.231 -25.361 33.535 279 HA2 GLY 34 2HA GLY 34 -0.407 -26.616 33.666 280 HA3 GLY 34 1HA GLY 34 0.696 -26.937 34.997 281 H ASP 35 H ASP 35 1.134 -23.841 33.662 282 HA ASP 35 HA ASP 35 -0.286 -22.659 35.966 283 HB2 ASP 35 2HB ASP 35 2.312 -21.882 34.637 284 HB3 ASP 35 1HB ASP 35 1.464 -20.818 35.756 285 H ILE 36 H ILE 36 -0.628 -20.205 35.635 286 HA ILE 36 HA ILE 36 -2.210 -19.892 33.187 287 HB ILE 36 HB ILE 36 -2.164 -18.215 35.713 288 HG12 ILE 36 2HG1 ILE 36 -3.014 -20.481 36.121 289 HG13 ILE 36 1HG1 ILE 36 -4.308 -19.294 36.244 290 HG21 ILE 36 1HG2 ILE 36 -2.902 -16.886 33.827 291 HG22 ILE 36 2HG2 ILE 36 -4.277 -17.253 34.869 292 HG23 ILE 36 3HG2 ILE 36 -4.055 -18.136 33.359 293 HD11 ILE 36 3HD1 ILE 36 -5.081 -19.906 34.011 294 HD12 ILE 36 1HD1 ILE 36 -5.046 -21.297 35.093 295 HD13 ILE 36 2HD1 ILE 36 -3.779 -21.091 33.883 296 H VAL 37 H VAL 37 -2.017 -18.107 31.812 297 HA VAL 37 HA VAL 37 0.606 -16.876 31.668 298 HB VAL 37 HB VAL 37 -1.807 -16.460 29.878 299 HG11 VAL 37 1HG1 VAL 37 -0.186 -15.654 28.224 300 HG12 VAL 37 2HG1 VAL 37 1.115 -15.844 29.401 301 HG13 VAL 37 3HG1 VAL 37 -0.164 -14.663 29.683 302 HG21 VAL 37 3HG2 VAL 37 0.516 -18.370 29.574 303 HG22 VAL 37 1HG2 VAL 37 -0.717 -18.059 28.350 304 HG23 VAL 37 2HG2 VAL 37 -1.166 -18.802 29.886 305 H SER 38 H SER 38 1.066 -14.659 31.848 306 HA SER 38 HA SER 38 -0.492 -13.144 33.673 307 HG SER 38 HG SER 38 3.027 -13.175 33.195 308 HB2 SER 38 2HB SER 38 1.751 -12.187 31.873 309 HB3 SER 38 1HB SER 38 1.126 -11.338 33.285 310 H THR 39 H THR 39 -1.221 -10.872 33.253 311 HA THR 39 HA THR 39 -3.350 -10.889 31.442 312 HB THR 39 HB THR 39 -2.086 -8.460 32.738 313 HG1 THR 39 HG1 THR 39 -3.154 -9.010 34.512 314 HG21 THR 39 3HG2 THR 39 -4.889 -8.891 31.678 315 HG22 THR 39 1HG2 THR 39 -3.649 -7.880 30.932 316 HG23 THR 39 2HG2 THR 39 -4.308 -7.448 32.509 317 H VAL 40 H VAL 40 -0.310 -8.983 31.214 318 HA VAL 40 HA VAL 40 -0.888 -7.780 28.733 319 HB VAL 40 HB VAL 40 1.823 -8.405 29.933 320 HG11 VAL 40 1HG1 VAL 40 1.074 -6.516 27.695 321 HG12 VAL 40 2HG1 VAL 40 2.054 -7.974 27.554 322 HG13 VAL 40 3HG1 VAL 40 2.659 -6.592 28.466 323 HG21 VAL 40 3HG2 VAL 40 0.138 -5.896 30.046 324 HG22 VAL 40 1HG2 VAL 40 1.769 -6.068 30.696 325 HG23 VAL 40 2HG2 VAL 40 0.444 -7.006 31.381 326 H ASP 41 H ASP 41 1.103 -10.675 29.415 327 HA ASP 41 HA ASP 41 1.681 -11.369 26.766 328 HB2 ASP 41 2HB ASP 41 1.252 -13.292 29.067 329 HB3 ASP 41 1HB ASP 41 2.220 -13.572 27.621 330 H GLY 42 H GLY 42 -1.130 -12.120 28.772 331 HA2 GLY 42 2HA GLY 42 -2.422 -13.893 26.975 332 HA3 GLY 42 1HA GLY 42 -3.192 -13.000 28.276 333 H ALA 43 H ALA 43 -2.761 -10.375 27.462 334 HA ALA 43 HA ALA 43 -4.792 -9.857 25.627 335 HB1 ALA 43 3HB ALA 43 -3.950 -7.569 25.548 336 HB2 ALA 43 1HB ALA 43 -2.418 -8.091 26.247 337 HB3 ALA 43 2HB ALA 43 -3.899 -8.185 27.200 338 H PHE 44 H PHE 44 -1.327 -10.264 25.099 339 HA PHE 44 HA PHE 44 -1.191 -9.677 22.359 340 HD1 PHE 44 HD1 PHE 44 0.622 -13.275 22.021 341 HD2 PHE 44 HD2 PHE 44 1.831 -9.199 21.797 342 HE1 PHE 44 HE1 PHE 44 1.937 -13.776 20.004 343 HE2 PHE 44 HE2 PHE 44 3.143 -9.694 19.781 344 HZ PHE 44 HZ PHE 44 3.199 -11.985 18.879 345 HB2 PHE 44 2HB PHE 44 0.794 -10.042 23.781 346 HB3 PHE 44 1HB PHE 44 0.373 -11.742 23.941 347 H LEU 45 H LEU 45 -1.740 -12.787 24.000 348 HA LEU 45 HA LEU 45 -2.091 -14.403 21.750 349 HG LEU 45 HG LEU 45 -0.835 -14.694 24.505 350 HB2 LEU 45 2HB LEU 45 -3.345 -14.650 24.490 351 HB3 LEU 45 1HB LEU 45 -3.316 -15.926 23.285 352 HD11 LEU 45 1HD1 LEU 45 -0.642 -16.758 25.797 353 HD12 LEU 45 2HD1 LEU 45 -2.192 -17.312 25.166 354 HD13 LEU 45 3HD1 LEU 45 -2.119 -15.888 26.206 355 HD21 LEU 45 3HD2 LEU 45 -1.237 -17.131 22.763 356 HD22 LEU 45 1HD2 LEU 45 0.288 -16.650 23.511 357 HD23 LEU 45 2HD2 LEU 45 -0.458 -15.620 22.290 358 H VAL 46 H VAL 46 -4.462 -12.446 23.523 359 HA VAL 46 HA VAL 46 -6.786 -13.276 22.202 360 HB VAL 46 HB VAL 46 -6.156 -10.519 23.288 361 HG11 VAL 46 1HG1 VAL 46 -8.600 -10.232 23.444 362 HG12 VAL 46 2HG1 VAL 46 -8.821 -11.770 22.608 363 HG13 VAL 46 3HG1 VAL 46 -8.056 -10.416 21.777 364 HG21 VAL 46 3HG2 VAL 46 -7.355 -11.267 25.296 365 HG22 VAL 46 1HG2 VAL 46 -5.929 -12.256 24.983 366 HG23 VAL 46 2HG2 VAL 46 -7.534 -12.872 24.588 367 H GLU 47 H GLU 47 -4.572 -10.594 21.353 368 HA GLU 47 HA GLU 47 -5.935 -9.813 18.996 369 HB2 GLU 47 2HB GLU 47 -3.011 -9.496 19.715 370 HB3 GLU 47 1HB GLU 47 -3.814 -8.679 18.381 371 HG2 GLU 47 2HG GLU 47 -4.423 -8.341 21.316 372 HG3 GLU 47 1HG GLU 47 -3.570 -7.197 20.281 373 H ALA 48 H ALA 48 -3.162 -12.000 19.492 374 HA ALA 48 HA ALA 48 -2.738 -12.734 16.819 375 HB1 ALA 48 3HB ALA 48 -2.344 -14.443 19.281 376 HB2 ALA 48 1HB ALA 48 -1.182 -13.280 18.641 377 HB3 ALA 48 2HB ALA 48 -1.608 -14.709 17.699 378 H LEU 49 H LEU 49 -5.103 -13.852 19.159 379 HA LEU 49 HA LEU 49 -6.156 -15.971 17.550 380 HG LEU 49 HG LEU 49 -9.112 -15.701 18.564 381 HB2 LEU 49 2HB LEU 49 -6.446 -15.910 19.986 382 HB3 LEU 49 1HB LEU 49 -7.393 -14.441 19.847 383 HD11 LEU 49 1HD1 LEU 49 -7.720 -17.463 17.649 384 HD12 LEU 49 2HD1 LEU 49 -9.048 -18.155 18.579 385 HD13 LEU 49 3HD1 LEU 49 -7.425 -18.104 19.268 386 HD21 LEU 49 3HD2 LEU 49 -10.020 -16.932 20.482 387 HD22 LEU 49 1HD2 LEU 49 -9.387 -15.356 20.956 388 HD23 LEU 49 2HD2 LEU 49 -8.459 -16.818 21.294 389 H LYS 50 H LYS 50 -7.064 -12.574 18.101 390 HA LYS 50 HA LYS 50 -9.527 -12.487 16.843 391 HB2 LYS 50 2HB LYS 50 -7.385 -10.395 17.144 392 HB3 LYS 50 1HB LYS 50 -8.922 -10.034 16.370 393 HG2 LYS 50 2HG LYS 50 -10.104 -10.674 18.425 394 HG3 LYS 50 1HG LYS 50 -8.554 -11.016 19.199 395 HD2 LYS 50 2HD LYS 50 -7.887 -8.707 19.021 396 HD3 LYS 50 1HD LYS 50 -9.311 -8.325 18.051 397 HE2 LYS 50 2HE LYS 50 -9.332 -9.230 20.934 398 HE3 LYS 50 1HE LYS 50 -9.562 -7.575 20.373 399 HZ1 LYS 50 3HZ LYS 50 -11.699 -8.417 20.740 400 HZ2 LYS 50 1HZ LYS 50 -11.358 -9.894 19.992 401 HZ3 LYS 50 2HZ LYS 50 -11.504 -8.492 19.061 402 H ARG 51 H ARG 51 -6.334 -12.290 15.313 403 HA ARG 51 HA ARG 51 -7.420 -11.636 12.728 404 HE ARG 51 HE ARG 51 -2.104 -13.746 14.622 405 HB2 ARG 51 2HB ARG 51 -5.122 -11.950 11.894 406 HB3 ARG 51 1HB ARG 51 -5.198 -10.874 13.282 407 HG2 ARG 51 2HG ARG 51 -4.403 -12.672 14.733 408 HG3 ARG 51 1HG ARG 51 -4.353 -13.772 13.354 409 HD2 ARG 51 2HD ARG 51 -2.705 -12.285 12.263 410 HD3 ARG 51 1HD ARG 51 -2.728 -11.244 13.687 411 HH11 ARG 51 1HH1 ARG 51 -0.745 -11.543 12.351 412 HH12 ARG 51 2HH1 ARG 51 0.872 -12.084 12.628 413 HH21 ARG 51 1HH2 ARG 51 -0.013 -14.444 14.964 414 HH22 ARG 51 2HH2 ARG 51 1.279 -13.719 14.084 415 H HIS 52 H HIS 52 -7.960 -14.319 14.293 416 HA HIS 52 HA HIS 52 -7.802 -16.047 11.902 417 HD1 HIS 52 HD1 HIS 52 -5.769 -16.155 15.444 418 HD2 HIS 52 HD2 HIS 52 -6.102 -18.841 12.292 419 HE1 HIS 52 HE1 HIS 52 -3.486 -17.148 15.167 420 HE2 HIS 52 HE2 HIS 52 -3.758 -18.899 13.382 421 HB2 HIS 52 2HB HIS 52 -8.183 -16.723 14.830 422 HB3 HIS 52 1HB HIS 52 -8.450 -17.890 13.543 423 HA PRO 53 HA PRO 53 -12.193 -15.189 11.372 424 HB2 PRO 53 2HB PRO 53 -12.760 -17.390 9.785 425 HB3 PRO 53 1HB PRO 53 -12.087 -15.871 9.184 426 HG2 PRO 53 2HG PRO 53 -10.680 -18.426 9.879 427 HG3 PRO 53 1HG PRO 53 -10.415 -17.339 8.502 428 HD2 PRO 53 2HD PRO 53 -8.780 -17.323 10.632 429 HD3 PRO 53 1HD PRO 53 -9.194 -15.820 9.779 430 H ASP 54 H ASP 54 -10.867 -18.168 12.597 431 HA ASP 54 HA ASP 54 -13.355 -19.311 13.486 432 HB2 ASP 54 2HB ASP 54 -10.611 -20.059 14.493 433 HB3 ASP 54 1HB ASP 54 -12.039 -21.079 14.346 434 H ALA 55 H ALA 55 -11.447 -16.796 14.664 435 HA ALA 55 HA ALA 55 -11.073 -17.180 17.350 436 HB1 ALA 55 3HB ALA 55 -11.908 -14.583 16.065 437 HB2 ALA 55 1HB ALA 55 -10.270 -15.234 16.084 438 HB3 ALA 55 2HB ALA 55 -11.051 -14.769 17.596 439 H THR 56 H THR 56 -14.021 -15.821 15.869 440 HA THR 56 HA THR 56 -15.390 -15.097 18.158 441 HB THR 56 HB THR 56 -16.200 -14.468 15.962 442 HG1 THR 56 HG1 THR 56 -17.826 -14.412 17.478 443 HG21 THR 56 3HG2 THR 56 -17.341 -16.061 14.491 444 HG22 THR 56 1HG2 THR 56 -16.959 -17.375 15.604 445 HG23 THR 56 2HG2 THR 56 -15.663 -16.536 14.751 446 H SER 57 H SER 57 -15.149 -18.334 16.751 447 HA SER 57 HA SER 57 -17.218 -19.464 18.408 448 HG SER 57 HG SER 57 -14.570 -20.429 15.883 449 HB2 SER 57 2HB SER 57 -16.524 -21.624 17.471 450 HB3 SER 57 1HB SER 57 -16.685 -20.421 16.193 451 H LYS 58 H LYS 58 -13.739 -19.112 18.648 452 HA LYS 58 HA LYS 58 -13.515 -20.903 20.924 453 HB2 LYS 58 2HB LYS 58 -11.525 -19.029 19.617 454 HB3 LYS 58 1HB LYS 58 -11.141 -20.069 20.983 455 HG2 LYS 58 2HG LYS 58 -11.630 -22.041 19.655 456 HG3 LYS 58 1HG LYS 58 -12.086 -21.028 18.284 457 HD2 LYS 58 2HD LYS 58 -9.819 -20.181 18.110 458 HD3 LYS 58 1HD LYS 58 -9.346 -21.059 19.566 459 HE2 LYS 58 2HE LYS 58 -8.588 -22.240 17.579 460 HE3 LYS 58 1HE LYS 58 -9.808 -23.186 18.428 461 HZ1 LYS 58 3HZ LYS 58 -10.188 -21.593 15.955 462 HZ2 LYS 58 1HZ LYS 58 -11.451 -22.312 16.818 463 HZ3 LYS 58 2HZ LYS 58 -10.257 -23.270 16.110 464 H ILE 59 H ILE 59 -13.867 -17.478 20.360 465 HA ILE 59 HA ILE 59 -13.247 -16.666 23.056 466 HB ILE 59 HB ILE 59 -14.642 -15.166 20.821 467 HG12 ILE 59 2HG1 ILE 59 -11.763 -15.019 21.767 468 HG13 ILE 59 1HG1 ILE 59 -12.304 -15.860 20.318 469 HG21 ILE 59 1HG2 ILE 59 -14.160 -13.133 22.094 470 HG22 ILE 59 2HG2 ILE 59 -13.470 -14.101 23.395 471 HG23 ILE 59 3HG2 ILE 59 -15.188 -14.228 23.020 472 HD11 ILE 59 3HD1 ILE 59 -11.348 -13.701 19.776 473 HD12 ILE 59 1HD1 ILE 59 -12.517 -12.902 20.827 474 HD13 ILE 59 2HD1 ILE 59 -13.066 -13.740 19.376 475 H GLY 60 H GLY 60 -16.225 -17.215 21.185 476 HA2 GLY 60 2HA GLY 60 -18.431 -17.375 21.815 477 HA3 GLY 60 1HA GLY 60 -17.832 -17.876 23.388 478 HA PRO 61 HA PRO 61 -19.845 -13.936 24.456 479 HB2 PRO 61 2HB PRO 61 -20.148 -14.439 27.088 480 HB3 PRO 61 1HB PRO 61 -21.196 -15.174 25.866 481 HG2 PRO 61 2HG PRO 61 -18.804 -16.344 27.255 482 HG3 PRO 61 1HG PRO 61 -20.390 -17.083 26.961 483 HD2 PRO 61 2HD PRO 61 -18.221 -17.584 25.396 484 HD3 PRO 61 1HD PRO 61 -19.882 -17.601 24.767 485 H GLY 62 H GLY 62 -16.840 -15.292 25.573 486 HA2 GLY 62 2HA GLY 62 -15.386 -12.986 25.655 487 HA3 GLY 62 1HA GLY 62 -16.111 -13.052 27.253 488 H VAL 63 H VAL 63 -13.301 -13.161 26.486 489 HA VAL 63 HA VAL 63 -12.426 -15.878 27.097 490 HB VAL 63 HB VAL 63 -10.801 -13.360 26.610 491 HG11 VAL 63 1HG1 VAL 63 -9.887 -16.239 26.732 492 HG12 VAL 63 2HG1 VAL 63 -9.570 -15.003 27.949 493 HG13 VAL 63 3HG1 VAL 63 -8.882 -14.844 26.332 494 HG21 VAL 63 3HG2 VAL 63 -10.351 -14.315 24.391 495 HG22 VAL 63 1HG2 VAL 63 -12.073 -14.016 24.631 496 HG23 VAL 63 2HG2 VAL 63 -11.436 -15.657 24.749 497 H ARG 64 H ARG 64 -12.111 -16.555 29.131 498 HA ARG 64 HA ARG 64 -12.196 -14.740 31.368 499 HE ARG 64 HE ARG 64 -12.099 -16.419 35.711 500 HB2 ARG 64 2HB ARG 64 -13.265 -16.964 31.459 501 HB3 ARG 64 1HB ARG 64 -11.693 -17.731 31.285 502 HG2 ARG 64 2HG ARG 64 -12.396 -17.807 33.591 503 HG3 ARG 64 1HG ARG 64 -10.996 -16.751 33.427 504 HD2 ARG 64 2HD ARG 64 -12.534 -14.798 33.398 505 HD3 ARG 64 1HD ARG 64 -13.876 -15.900 33.711 506 HH11 ARG 64 1HH1 ARG 64 -13.687 -13.586 34.573 507 HH12 ARG 64 2HH1 ARG 64 -13.662 -12.820 36.118 508 HH21 ARG 64 1HH2 ARG 64 -12.079 -15.398 37.700 509 HH22 ARG 64 2HH2 ARG 64 -12.794 -13.829 37.855 510 H ASN 65 H ASN 65 -9.748 -17.162 30.346 511 HA ASN 65 HA ASN 65 -7.592 -15.312 30.565 512 HB2 ASN 65 2HB ASN 65 -6.342 -16.442 32.395 513 HB3 ASN 65 1HB ASN 65 -7.815 -15.668 32.964 514 HD21 ASN 65 1HD2 ASN 65 -9.334 -16.882 33.939 515 HD22 ASN 65 2HD2 ASN 65 -9.216 -18.588 34.177 516 H PHE 66 H PHE 66 -5.393 -16.783 30.661 517 HA PHE 66 HA PHE 66 -5.786 -18.966 28.698 518 HD1 PHE 66 HD1 PHE 66 -5.279 -15.159 28.352 519 HD2 PHE 66 HD2 PHE 66 -4.634 -18.488 25.771 520 HE1 PHE 66 HE1 PHE 66 -6.441 -13.975 26.536 521 HE2 PHE 66 HE2 PHE 66 -5.793 -17.308 23.952 522 HZ PHE 66 HZ PHE 66 -6.700 -15.048 24.333 523 HB2 PHE 66 2HB PHE 66 -3.577 -16.900 28.844 524 HB3 PHE 66 1HB PHE 66 -3.483 -18.345 27.843 525 H GLU 67 H GLU 67 -4.863 -20.893 29.126 526 HA GLU 67 HA GLU 67 -2.980 -21.084 31.402 527 HB2 GLU 67 2HB GLU 67 -5.215 -22.023 31.921 528 HB3 GLU 67 1HB GLU 67 -5.066 -23.114 30.550 529 HG2 GLU 67 2HG GLU 67 -3.218 -24.256 31.601 530 HG3 GLU 67 1HG GLU 67 -3.212 -23.091 32.927 531 H VAL 68 H VAL 68 -1.230 -22.532 31.194 532 HA VAL 68 HA VAL 68 -0.614 -23.225 28.399 533 HB VAL 68 HB VAL 68 1.279 -22.959 30.748 534 HG11 VAL 68 1HG1 VAL 68 3.057 -22.996 29.058 535 HG12 VAL 68 2HG1 VAL 68 1.854 -23.261 27.794 536 HG13 VAL 68 3HG1 VAL 68 2.116 -24.489 29.033 537 HG21 VAL 68 3HG2 VAL 68 0.733 -21.043 28.472 538 HG22 VAL 68 1HG2 VAL 68 1.983 -20.852 29.702 539 HG23 VAL 68 2HG2 VAL 68 0.281 -20.809 30.161 540 H ARG 69 H ARG 69 -0.220 -25.269 27.754 541 HA ARG 69 HA ARG 69 0.480 -27.345 29.713 542 HE ARG 69 HE ARG 69 -4.188 -28.857 31.441 543 HB2 ARG 69 2HB ARG 69 -1.745 -27.573 27.676 544 HB3 ARG 69 1HB ARG 69 -1.007 -28.967 28.446 545 HG2 ARG 69 2HG ARG 69 -1.754 -28.121 30.640 546 HG3 ARG 69 1HG ARG 69 -2.552 -26.771 29.823 547 HD2 ARG 69 2HD ARG 69 -3.915 -28.375 28.545 548 HD3 ARG 69 1HD ARG 69 -3.138 -29.705 29.401 549 HH11 ARG 69 1HH1 ARG 69 -5.400 -27.703 28.444 550 HH12 ARG 69 2HH1 ARG 69 -6.989 -27.431 29.059 551 HH21 ARG 69 1HH2 ARG 69 -6.254 -28.512 32.224 552 HH22 ARG 69 2HH2 ARG 69 -7.468 -27.885 31.160 553 H SER 70 H SER 70 0.944 -29.484 28.306 554 HA SER 70 HA SER 70 2.783 -28.735 26.159 555 HG SER 70 HG SER 70 2.025 -32.429 26.890 556 HB2 SER 70 2HB SER 70 3.518 -31.086 26.246 557 HB3 SER 70 1HB SER 70 3.563 -30.351 27.846 558 H ALA 71 H ALA 71 2.768 -30.458 24.250 559 HA ALA 71 HA ALA 71 0.004 -31.070 23.444 560 HB1 ALA 71 3HB ALA 71 0.541 -28.846 22.529 561 HB2 ALA 71 1HB ALA 71 0.287 -30.044 21.260 562 HB3 ALA 71 2HB ALA 71 1.925 -29.539 21.683 563 H ASP 72 H ASP 72 3.101 -31.092 21.679 564 HA ASP 72 HA ASP 72 2.655 -33.917 21.014 565 HB2 ASP 72 2HB ASP 72 4.626 -31.932 19.847 566 HB3 ASP 72 1HB ASP 72 4.326 -33.563 19.251 567 H TYR 73 H TYR 73 5.286 -34.646 20.422 568 HA TYR 73 HA TYR 73 6.115 -35.725 22.856 569 HD1 TYR 73 HD2 TYR 73 5.901 -35.611 18.821 570 HD2 TYR 73 HD1 TYR 73 6.852 -38.598 21.705 571 HE1 TYR 73 HE2 TYR 73 4.520 -37.229 17.593 572 HE2 TYR 73 HE1 TYR 73 5.471 -40.224 20.481 573 HH TYR 73 HH TYR 73 3.698 -40.320 18.900 574 HB2 TYR 73 2HB TYR 73 7.817 -35.344 20.382 575 HB3 TYR 73 1HB TYR 73 8.079 -36.523 21.662 576 H GLY 74 H GLY 74 7.026 -32.705 21.323 577 HA2 GLY 74 2HA GLY 74 8.469 -31.938 23.754 578 HA3 GLY 74 1HA GLY 74 9.386 -31.918 22.257 579 H THR 75 H THR 75 6.015 -30.927 22.889 580 HA THR 75 HA THR 75 6.755 -28.130 22.318 581 HB THR 75 HB THR 75 4.789 -27.839 20.844 582 HG1 THR 75 HG1 THR 75 3.837 -29.848 20.012 583 HG21 THR 75 3HG2 THR 75 6.960 -28.273 19.801 584 HG22 THR 75 1HG2 THR 75 5.657 -29.001 18.864 585 HG23 THR 75 2HG2 THR 75 6.669 -30.011 19.898 586 H GLN 76 H GLN 76 5.235 -26.560 23.019 587 HA GLN 76 HA GLN 76 3.245 -27.500 24.986 588 HB2 GLN 76 2HB GLN 76 4.972 -25.032 24.926 589 HB3 GLN 76 1HB GLN 76 3.497 -25.078 25.877 590 HG2 GLN 76 2HG GLN 76 4.349 -26.865 27.234 591 HG3 GLN 76 1HG GLN 76 5.763 -27.038 26.196 592 HE21 GLN 76 1HE2 GLN 76 4.182 -24.958 28.527 593 HE22 GLN 76 2HE2 GLN 76 5.578 -24.041 28.951 594 H CYS 77 H CYS 77 1.504 -25.619 25.309 595 HA CYS 77 HA CYS 77 0.775 -24.255 22.861 596 HG CYS 77 HG CYS 77 -1.584 -24.883 20.960 597 HB2 CYS 77 2HB CYS 77 -0.022 -26.526 22.369 598 HB3 CYS 77 1HB CYS 77 -0.956 -26.534 23.861 599 H PHE 78 H PHE 78 -0.962 -22.788 23.095 600 HA PHE 78 HA PHE 78 -1.504 -22.006 25.864 601 HD1 PHE 78 HD2 PHE 78 -0.478 -19.525 26.493 602 HD2 PHE 78 HD1 PHE 78 0.180 -20.293 22.352 603 HE1 PHE 78 HE2 PHE 78 1.778 -18.562 26.672 604 HE2 PHE 78 HE1 PHE 78 2.438 -19.336 22.532 605 HZ PHE 78 HZ PHE 78 3.237 -18.466 24.692 606 HB2 PHE 78 2HB PHE 78 -1.979 -20.538 23.254 607 HB3 PHE 78 1HB PHE 78 -2.368 -19.896 24.844 608 H TRP 79 H TRP 79 -3.401 -22.460 26.798 609 HA TRP 79 HA TRP 79 -5.685 -23.285 25.134 610 HD1 TRP 79 HD1 TRP 79 -2.760 -24.946 26.894 611 HE1 TRP 79 HE1 TRP 79 -2.477 -27.358 26.043 612 HE3 TRP 79 HE3 TRP 79 -7.683 -26.187 26.313 613 HZ2 TRP 79 HZ2 TRP 79 -4.117 -29.507 25.245 614 HZ3 TRP 79 HZ3 TRP 79 -8.243 -28.446 25.512 615 HH2 TRP 79 HH2 TRP 79 -6.496 -30.071 24.987 616 HB2 TRP 79 2HB TRP 79 -5.060 -23.787 28.055 617 HB3 TRP 79 1HB TRP 79 -6.566 -24.265 27.277 618 H ILE 80 H ILE 80 -7.561 -22.200 25.142 619 HA ILE 80 HA ILE 80 -7.674 -19.630 26.541 620 HB ILE 80 HB ILE 80 -9.527 -20.719 24.408 621 HG12 ILE 80 2HG1 ILE 80 -7.200 -18.804 24.094 622 HG13 ILE 80 1HG1 ILE 80 -7.163 -20.503 23.633 623 HG21 ILE 80 1HG2 ILE 80 -10.194 -18.368 24.119 624 HG22 ILE 80 2HG2 ILE 80 -9.141 -17.909 25.457 625 HG23 ILE 80 3HG2 ILE 80 -10.537 -18.947 25.750 626 HD11 ILE 80 3HD1 ILE 80 -7.523 -19.064 21.711 627 HD12 ILE 80 1HD1 ILE 80 -8.972 -18.396 22.462 628 HD13 ILE 80 2HD1 ILE 80 -8.924 -20.097 21.993 629 H LEU 81 H LEU 81 -8.662 -19.610 28.483 630 HA LEU 81 HA LEU 81 -10.773 -21.497 29.131 631 HG LEU 81 HG LEU 81 -8.792 -21.061 32.260 632 HB2 LEU 81 2HB LEU 81 -9.474 -19.265 30.701 633 HB3 LEU 81 1HB LEU 81 -10.830 -20.191 31.318 634 HD11 LEU 81 1HD1 LEU 81 -8.901 -23.402 31.534 635 HD12 LEU 81 2HD1 LEU 81 -9.885 -22.910 30.156 636 HD13 LEU 81 3HD1 LEU 81 -10.496 -22.697 31.796 637 HD21 LEU 81 3HD2 LEU 81 -7.007 -22.016 30.883 638 HD22 LEU 81 1HD2 LEU 81 -7.202 -20.289 30.591 639 HD23 LEU 81 2HD2 LEU 81 -7.832 -21.457 29.427 640 H ARG 82 H ARG 82 -12.774 -21.136 28.413 641 HA ARG 82 HA ARG 82 -13.690 -18.472 27.722 642 HE ARG 82 HE ARG 82 -16.669 -20.086 25.470 643 HB2 ARG 82 2HB ARG 82 -15.019 -21.184 27.575 644 HB3 ARG 82 1HB ARG 82 -15.765 -19.694 27.012 645 HG2 ARG 82 2HG ARG 82 -13.996 -19.409 25.357 646 HG3 ARG 82 1HG ARG 82 -13.198 -20.871 25.944 647 HD2 ARG 82 2HD ARG 82 -14.570 -21.197 23.876 648 HD3 ARG 82 1HD ARG 82 -15.024 -22.242 25.223 649 HH11 ARG 82 1HH1 ARG 82 -16.021 -22.328 22.934 650 HH12 ARG 82 2HH1 ARG 82 -17.615 -22.193 22.279 651 HH21 ARG 82 1HH2 ARG 82 -18.680 -19.945 24.665 652 HH22 ARG 82 2HH2 ARG 82 -19.117 -20.835 23.248 653 H THR 83 H THR 83 -15.426 -17.356 28.665 654 HA THR 83 HA THR 83 -15.792 -17.651 31.462 655 HB THR 83 HB THR 83 -17.591 -15.951 31.240 656 HG1 THR 83 HG1 THR 83 -18.128 -15.177 29.203 657 HG21 THR 83 3HG2 THR 83 -16.168 -14.137 30.372 658 HG22 THR 83 1HG2 THR 83 -15.072 -15.331 29.678 659 HG23 THR 83 2HG2 THR 83 -15.263 -15.220 31.429 660 H ASP 84 H ASP 84 -17.352 -19.162 28.800 661 HA ASP 84 HA ASP 84 -19.809 -19.931 29.877 662 HB2 ASP 84 2HB ASP 84 -17.960 -21.554 28.108 663 HB3 ASP 84 1HB ASP 84 -19.677 -21.860 28.345 664 H GLY 85 H GLY 85 -16.593 -20.994 30.669 665 HA2 GLY 85 2HA GLY 85 -16.163 -22.131 32.760 666 HA3 GLY 85 1HA GLY 85 -17.691 -22.974 32.571 667 H SER 86 H SER 86 -15.620 -22.645 29.816 668 HA SER 86 HA SER 86 -14.606 -25.389 30.128 669 HG SER 86 HG SER 86 -17.111 -24.076 27.401 670 HB2 SER 86 2HB SER 86 -15.190 -25.871 27.757 671 HB3 SER 86 1HB SER 86 -16.614 -25.586 28.757 672 H GLU 87 H GLU 87 -13.152 -25.806 27.971 673 HA GLU 87 HA GLU 87 -11.416 -23.476 27.529 674 HB2 GLU 87 2HB GLU 87 -9.416 -24.946 28.069 675 HB3 GLU 87 1HB GLU 87 -10.394 -24.447 29.441 676 HG2 GLU 87 2HG GLU 87 -11.362 -26.564 29.684 677 HG3 GLU 87 1HG GLU 87 -10.831 -27.085 28.086 678 H GLU 88 H GLU 88 -10.150 -23.545 25.665 679 HA GLU 88 HA GLU 88 -9.691 -26.014 24.257 680 HB2 GLU 88 2HB GLU 88 -11.946 -25.385 23.420 681 HB3 GLU 88 1HB GLU 88 -11.283 -23.863 22.837 682 HG2 GLU 88 2HG GLU 88 -11.503 -25.489 21.030 683 HG3 GLU 88 1HG GLU 88 -9.813 -25.066 21.305 684 H ARG 89 H ARG 89 -8.039 -25.859 22.697 685 HA ARG 89 HA ARG 89 -6.247 -23.585 23.167 686 HE ARG 89 HE ARG 89 -4.357 -29.187 20.357 687 HB2 ARG 89 2HB ARG 89 -4.502 -25.071 22.324 688 HB3 ARG 89 1HB ARG 89 -5.442 -25.882 23.573 689 HG2 ARG 89 2HG ARG 89 -6.789 -26.931 21.698 690 HG3 ARG 89 1HG ARG 89 -5.559 -26.315 20.595 691 HD2 ARG 89 2HD ARG 89 -3.844 -27.569 21.854 692 HD3 ARG 89 1HD ARG 89 -5.108 -28.223 22.895 693 HH11 ARG 89 1HH1 ARG 89 -7.234 -28.584 22.183 694 HH12 ARG 89 2HH1 ARG 89 -8.097 -29.876 21.433 695 HH21 ARG 89 1HH2 ARG 89 -5.493 -30.830 19.420 696 HH22 ARG 89 2HH2 ARG 89 -7.129 -31.132 19.900 697 H PHE 90 H PHE 90 -4.811 -22.928 21.291 698 HA PHE 90 HA PHE 90 -6.043 -23.258 18.649 699 HD1 PHE 90 HD1 PHE 90 -5.645 -20.697 21.820 700 HD2 PHE 90 HD2 PHE 90 -4.083 -19.433 18.060 701 HE1 PHE 90 HE1 PHE 90 -4.229 -19.041 22.964 702 HE2 PHE 90 HE2 PHE 90 -2.667 -17.779 19.204 703 HZ PHE 90 HZ PHE 90 -2.742 -17.580 21.655 704 HB2 PHE 90 2HB PHE 90 -5.883 -20.907 18.105 705 HB3 PHE 90 1HB PHE 90 -6.847 -21.091 19.561 706 H SER 91 H SER 91 -4.612 -23.182 16.903 707 HA SER 91 HA SER 91 -1.867 -23.813 17.602 708 HG SER 91 HG SER 91 -3.881 -25.729 15.592 709 HB2 SER 91 2HB SER 91 -3.307 -23.833 14.935 710 HB3 SER 91 1HB SER 91 -1.629 -24.331 15.158 711 H TYR 92 H TYR 92 -1.102 -21.777 18.312 712 HA TYR 92 HA TYR 92 -1.176 -19.381 16.890 713 HD1 TYR 92 HD1 TYR 92 0.409 -22.101 19.622 714 HD2 TYR 92 HD2 TYR 92 2.886 -18.968 18.140 715 HE1 TYR 92 HE1 TYR 92 2.410 -23.403 20.214 716 HE2 TYR 92 HE2 TYR 92 4.886 -20.262 18.728 717 HH TYR 92 HH TYR 92 5.500 -22.074 20.325 718 HB2 TYR 92 2HB TYR 92 0.573 -18.603 18.330 719 HB3 TYR 92 1HB TYR 92 -0.433 -19.689 19.279 720 H LYS 93 H LYS 93 0.838 -22.178 16.370 721 HA LYS 93 HA LYS 93 2.933 -20.986 14.907 722 HB2 LYS 93 2HB LYS 93 3.451 -23.227 14.116 723 HB3 LYS 93 1HB LYS 93 3.050 -23.267 15.827 724 HG2 LYS 93 2HG LYS 93 0.787 -24.074 15.259 725 HG3 LYS 93 1HG LYS 93 1.238 -24.080 13.552 726 HD2 LYS 93 2HD LYS 93 3.051 -25.698 14.077 727 HD3 LYS 93 1HD LYS 93 2.497 -25.735 15.752 728 HE2 LYS 93 2HE LYS 93 0.309 -26.582 14.987 729 HE3 LYS 93 1HE LYS 93 0.903 -26.579 13.325 730 HZ1 LYS 93 3HZ LYS 93 1.920 -28.223 15.579 731 HZ2 LYS 93 1HZ LYS 93 2.652 -28.143 14.056 732 HZ3 LYS 93 2HZ LYS 93 1.095 -28.773 14.210 733 H LYS 94 H LYS 94 -0.322 -21.806 13.999 734 HA LYS 94 HA LYS 94 0.252 -21.012 11.212 735 HB2 LYS 94 2HB LYS 94 -2.005 -22.670 12.360 736 HB3 LYS 94 1HB LYS 94 -2.027 -22.033 10.723 737 HG2 LYS 94 2HG LYS 94 0.043 -23.931 11.831 738 HG3 LYS 94 1HG LYS 94 -1.316 -24.378 10.798 739 HD2 LYS 94 2HD LYS 94 -0.395 -22.807 9.059 740 HD3 LYS 94 1HD LYS 94 1.028 -22.607 10.082 741 HE2 LYS 94 2HE LYS 94 0.050 -25.189 8.852 742 HE3 LYS 94 1HE LYS 94 1.452 -24.253 8.340 743 HZ1 LYS 94 3HZ LYS 94 2.166 -26.085 9.682 744 HZ2 LYS 94 1HZ LYS 94 1.114 -25.657 10.934 745 HZ3 LYS 94 2HZ LYS 94 2.425 -24.660 10.554 746 H CYS 95 H CYS 95 0.287 -18.782 11.882 747 HA CYS 95 HA CYS 95 -2.408 -17.655 12.331 748 HG CYS 95 HG CYS 95 1.428 -17.567 14.384 749 HB2 CYS 95 2HB CYS 95 -1.335 -15.852 13.666 750 HB3 CYS 95 1HB CYS 95 -1.156 -17.446 14.391 751 H VAL 96 H VAL 96 0.874 -16.589 11.364 752 HA VAL 96 HA VAL 96 -0.136 -14.500 9.687 753 HB VAL 96 HB VAL 96 2.653 -15.687 9.709 754 HG11 VAL 96 1HG1 VAL 96 2.217 -14.377 7.701 755 HG12 VAL 96 2HG1 VAL 96 3.328 -13.508 8.760 756 HG13 VAL 96 3HG1 VAL 96 1.631 -13.030 8.677 757 HG21 VAL 96 3HG2 VAL 96 3.229 -13.827 11.216 758 HG22 VAL 96 1HG2 VAL 96 2.024 -14.898 11.932 759 HG23 VAL 96 2HG2 VAL 96 1.533 -13.342 11.262 760 H LEU 97 H LEU 97 -1.556 -15.466 8.218 761 HA LEU 97 HA LEU 97 -0.289 -16.845 5.968 762 HG LEU 97 HG LEU 97 -0.488 -18.859 8.159 763 HB2 LEU 97 2HB LEU 97 -2.653 -17.863 7.536 764 HB3 LEU 97 1HB LEU 97 -2.392 -18.333 5.867 765 HD11 LEU 97 1HD1 LEU 97 -1.103 -21.195 7.875 766 HD12 LEU 97 2HD1 LEU 97 -2.245 -20.756 6.604 767 HD13 LEU 97 3HD1 LEU 97 -2.524 -20.222 8.261 768 HD21 LEU 97 3HD2 LEU 97 -0.344 -19.675 5.253 769 HD22 LEU 97 1HD2 LEU 97 0.747 -20.222 6.530 770 HD23 LEU 97 2HD2 LEU 97 0.712 -18.521 6.067 771 H GLU 98 H GLU 98 -1.033 -16.217 4.034 772 HA GLU 98 HA GLU 98 -3.064 -14.102 4.014 773 HB2 GLU 98 2HB GLU 98 -0.690 -13.864 3.026 774 HB3 GLU 98 1HB GLU 98 -1.267 -14.881 1.716 775 HG2 GLU 98 2HG GLU 98 -2.604 -12.306 2.502 776 HG3 GLU 98 1HG GLU 98 -1.303 -12.391 1.318 777 H HIS 99 H HIS 99 -2.150 -16.637 1.655 778 HA HIS 99 HA HIS 99 -4.952 -17.556 1.682 779 HD1 HIS 99 HD1 HIS 99 -6.061 -15.949 1.260 780 HD2 HIS 99 HD2 HIS 99 -4.693 -15.556 -2.644 781 HE1 HIS 99 HE1 HIS 99 -7.390 -14.068 0.266 782 HE2 HIS 99 HE2 HIS 99 -6.463 -13.767 -2.046 783 HB2 HIS 99 2HB HIS 99 -3.181 -17.105 -0.718 784 HB3 HIS 99 1HB HIS 99 -4.557 -18.201 -0.777 785 H HIS 100 H HIS 100 -2.202 -18.925 -0.141 786 HA HIS 100 HA HIS 100 -1.853 -21.020 1.853 787 HD1 HIS 100 HD1 HIS 100 -5.373 -21.287 -0.512 788 HD2 HIS 100 HD2 HIS 100 -3.527 -23.382 2.565 789 HE1 HIS 100 HE1 HIS 100 -7.231 -22.057 0.985 790 HE2 HIS 100 HE2 HIS 100 -6.103 -23.441 2.756 791 HB2 HIS 100 2HB HIS 100 -2.935 -21.587 -0.908 792 HB3 HIS 100 1HB HIS 100 -2.124 -22.819 0.051 793 H HIS 101 H HIS 101 0.245 -21.264 2.108 794 HA HIS 101 HA HIS 101 1.905 -21.773 -0.275 795 HD1 HIS 101 HD1 HIS 101 1.953 -17.853 1.497 796 HD2 HIS 101 HD2 HIS 101 3.668 -19.939 -1.664 797 HE1 HIS 101 HE1 HIS 101 2.117 -16.204 -0.393 798 HE2 HIS 101 HE2 HIS 101 3.028 -17.525 -2.333 799 HB2 HIS 101 2HB HIS 101 2.655 -20.150 2.166 800 HB3 HIS 101 1HB HIS 101 3.874 -20.896 1.138 801 H HIS 102 H HIS 102 2.960 -23.710 -0.196 802 HA HIS 102 HA HIS 102 3.400 -25.847 0.456 803 HD1 HIS 102 HD1 HIS 102 4.441 -22.853 3.368 804 HD2 HIS 102 HD2 HIS 102 6.377 -26.141 1.735 805 HE1 HIS 102 HE1 HIS 102 6.856 -22.190 3.199 806 HE2 HIS 102 HE2 HIS 102 8.027 -24.249 2.343 807 HB2 HIS 102 2HB HIS 102 3.003 -24.933 3.325 808 HB3 HIS 102 1HB HIS 102 3.750 -26.437 2.800 809 H HIS 103 H HIS 103 1.512 -26.587 -0.554 810 HA HIS 103 HA HIS 103 -0.912 -26.762 1.138 811 HD1 HIS 103 HD1 HIS 103 -2.304 -28.472 -2.557 812 HD2 HIS 103 HD2 HIS 103 0.914 -25.884 -3.003 813 HE1 HIS 103 HE1 HIS 103 -1.285 -29.041 -4.771 814 HE2 HIS 103 HE2 HIS 103 0.749 -27.577 -4.943 815 HB2 HIS 103 2HB HIS 103 -2.263 -26.595 -0.812 816 HB3 HIS 103 1HB HIS 103 -1.025 -25.354 -0.978 817 H HIS 104 H HIS 104 -2.405 -28.558 0.598 818 HA HIS 104 HA HIS 104 -1.028 -30.981 -0.384 819 HD1 HIS 104 HD1 HIS 104 -1.454 -29.710 3.353 820 HD2 HIS 104 HD2 HIS 104 -0.439 -33.428 1.808 821 HE1 HIS 104 HE1 HIS 104 0.425 -30.540 4.792 822 HE2 HIS 104 HE2 HIS 104 0.899 -32.861 3.953 823 HB2 HIS 104 2HB HIS 104 -3.203 -30.697 1.699 824 HB3 HIS 104 1HB HIS 104 -2.809 -32.237 0.941 Start of MODEL 5 1 HA MET 1 HA MET 1 -6.101 -9.195 7.083 2 H1 MET 1 1H MET 1 -6.885 -11.421 6.511 3 H2 MET 1 2H MET 1 -5.485 -11.682 5.604 4 H3 MET 1 3H MET 1 -6.572 -10.472 5.152 5 HB2 MET 1 2HB MET 1 -4.379 -11.562 7.836 6 HB3 MET 1 1HB MET 1 -4.234 -9.990 8.618 7 HG2 MET 1 2HG MET 1 -5.627 -11.565 9.890 8 HG3 MET 1 1HG MET 1 -6.506 -10.116 9.406 9 HE1 MET 1 3HE MET 1 -8.915 -11.027 9.684 10 HE2 MET 1 1HE MET 1 -8.173 -12.432 10.449 11 HE3 MET 1 2HE MET 1 -9.403 -12.654 9.204 12 H ALA 2 H ALA 2 -3.763 -8.214 7.656 13 HA ALA 2 HA ALA 2 -2.814 -7.375 5.068 14 HB1 ALA 2 3HB ALA 2 -3.217 -5.773 6.889 15 HB2 ALA 2 1HB ALA 2 -1.564 -5.688 6.279 16 HB3 ALA 2 2HB ALA 2 -1.900 -6.501 7.808 17 H LYS 3 H LYS 3 -1.310 -8.464 3.993 18 HA LYS 3 HA LYS 3 0.828 -9.896 5.395 19 HB2 LYS 3 2HB LYS 3 0.062 -9.751 2.466 20 HB3 LYS 3 1HB LYS 3 1.399 -10.707 3.092 21 HG2 LYS 3 2HG LYS 3 -0.080 -12.131 4.311 22 HG3 LYS 3 1HG LYS 3 -1.458 -11.078 3.984 23 HD2 LYS 3 2HD LYS 3 -1.491 -13.081 2.566 24 HD3 LYS 3 1HD LYS 3 -1.328 -11.609 1.610 25 HE2 LYS 3 2HE LYS 3 1.111 -12.015 1.465 26 HE3 LYS 3 1HE LYS 3 0.890 -13.520 2.358 27 HZ1 LYS 3 3HZ LYS 3 -0.401 -12.905 -0.245 28 HZ2 LYS 3 1HZ LYS 3 -0.458 -14.377 0.588 29 HZ3 LYS 3 2HZ LYS 3 1.004 -13.831 -0.070 30 H ALA 4 H ALA 4 0.845 -7.069 5.595 31 HA ALA 4 HA ALA 4 3.469 -6.489 4.429 32 HB1 ALA 4 3HB ALA 4 1.862 -5.521 2.853 33 HB2 ALA 4 1HB ALA 4 2.774 -4.262 3.685 34 HB3 ALA 4 2HB ALA 4 1.114 -4.612 4.165 35 H GLN 5 H GLN 5 4.392 -4.427 5.409 36 HA GLN 5 HA GLN 5 5.090 -3.221 7.200 37 HB2 GLN 5 2HB GLN 5 2.249 -3.664 8.145 38 HB3 GLN 5 1HB GLN 5 3.403 -2.635 8.981 39 HG2 GLN 5 2HG GLN 5 3.566 -1.199 7.007 40 HG3 GLN 5 1HG GLN 5 2.428 -2.240 6.152 41 HE21 GLN 5 1HE2 GLN 5 2.252 0.605 6.865 42 HE22 GLN 5 2HE2 GLN 5 0.795 0.766 7.773 43 HA PRO 6 HA PRO 6 6.646 -6.030 10.329 44 HB2 PRO 6 2HB PRO 6 6.382 -3.772 12.261 45 HB3 PRO 6 1HB PRO 6 7.800 -4.745 11.852 46 HG2 PRO 6 2HG PRO 6 7.580 -2.244 10.965 47 HG3 PRO 6 1HG PRO 6 8.249 -3.516 9.922 48 HD2 PRO 6 2HD PRO 6 5.507 -2.291 9.902 49 HD3 PRO 6 1HD PRO 6 6.554 -2.733 8.535 50 H ILE 7 H ILE 7 5.869 -7.338 12.016 51 HA ILE 7 HA ILE 7 3.007 -7.283 12.357 52 HB ILE 7 HB ILE 7 5.089 -9.175 13.486 53 HG12 ILE 7 2HG1 ILE 7 3.983 -10.785 11.848 54 HG13 ILE 7 1HG1 ILE 7 3.168 -9.391 11.152 55 HG21 ILE 7 1HG2 ILE 7 3.174 -9.129 14.973 56 HG22 ILE 7 2HG2 ILE 7 3.197 -10.646 14.074 57 HG23 ILE 7 3HG2 ILE 7 2.076 -9.365 13.612 58 HD11 ILE 7 3HD1 ILE 7 5.317 -8.427 10.542 59 HD12 ILE 7 1HD1 ILE 7 5.129 -10.044 9.864 60 HD13 ILE 7 2HD1 ILE 7 6.150 -9.795 11.280 61 H GLU 8 H GLU 8 2.440 -5.529 13.637 62 HA GLU 8 HA GLU 8 3.580 -5.405 16.350 63 HB2 GLU 8 2HB GLU 8 3.588 -3.316 14.993 64 HB3 GLU 8 1HB GLU 8 1.830 -3.366 14.948 65 HG2 GLU 8 2HG GLU 8 1.780 -3.187 17.408 66 HG3 GLU 8 1HG GLU 8 3.540 -3.090 17.419 67 H ILE 9 H ILE 9 2.485 -6.317 17.950 68 HA ILE 9 HA ILE 9 -0.466 -6.495 17.784 69 HB ILE 9 HB ILE 9 1.421 -8.604 18.869 70 HG12 ILE 9 2HG1 ILE 9 -0.411 -8.660 16.450 71 HG13 ILE 9 1HG1 ILE 9 1.344 -8.536 16.404 72 HG21 ILE 9 1HG2 ILE 9 -0.616 -8.484 20.199 73 HG22 ILE 9 2HG2 ILE 9 -0.588 -9.964 19.241 74 HG23 ILE 9 3HG2 ILE 9 -1.597 -8.607 18.738 75 HD11 ILE 9 3HD1 ILE 9 0.608 -10.788 15.906 76 HD12 ILE 9 1HD1 ILE 9 -0.236 -10.875 17.452 77 HD13 ILE 9 2HD1 ILE 9 1.524 -10.751 17.413 78 H ALA 10 H ALA 10 -1.484 -5.547 19.451 79 HA ALA 10 HA ALA 10 -1.949 -4.635 21.486 80 HB1 ALA 10 3HB ALA 10 -1.640 -6.968 22.213 81 HB2 ALA 10 1HB ALA 10 -1.169 -5.818 23.464 82 HB3 ALA 10 2HB ALA 10 0.066 -6.640 22.510 83 H GLY 11 H GLY 11 0.116 -3.350 19.906 84 HA2 GLY 11 2HA GLY 11 1.411 -1.444 20.258 85 HA3 GLY 11 1HA GLY 11 1.359 -1.747 21.987 86 H HIS 12 H HIS 12 2.282 -4.626 20.962 87 HA HIS 12 HA HIS 12 5.132 -4.056 21.297 88 HD1 HIS 12 HD1 HIS 12 5.707 -5.499 24.048 89 HD2 HIS 12 HD2 HIS 12 1.746 -6.218 23.033 90 HE1 HIS 12 HE1 HIS 12 4.430 -5.378 26.200 91 HE2 HIS 12 HE2 HIS 12 2.017 -5.554 25.516 92 HB2 HIS 12 2HB HIS 12 3.725 -6.740 21.121 93 HB3 HIS 12 1HB HIS 12 5.380 -6.453 21.650 94 H GLU 13 H GLU 13 6.217 -3.585 19.452 95 HA GLU 13 HA GLU 13 5.232 -4.573 16.899 96 HB2 GLU 13 2HB GLU 13 6.842 -3.062 15.858 97 HB3 GLU 13 1HB GLU 13 5.867 -2.217 17.048 98 HG2 GLU 13 2HG GLU 13 8.597 -3.269 17.734 99 HG3 GLU 13 1HG GLU 13 8.381 -1.717 16.932 100 H PHE 14 H PHE 14 6.120 -6.106 15.663 101 HA PHE 14 HA PHE 14 8.835 -7.081 16.299 102 HD1 PHE 14 HD1 PHE 14 8.875 -9.232 18.142 103 HD2 PHE 14 HD2 PHE 14 4.850 -8.491 16.961 104 HE1 PHE 14 HE1 PHE 14 8.132 -9.577 20.461 105 HE2 PHE 14 HE2 PHE 14 4.108 -8.833 19.276 106 HZ PHE 14 HZ PHE 14 5.747 -9.376 21.030 107 HB2 PHE 14 2HB PHE 14 6.527 -8.783 15.316 108 HB3 PHE 14 1HB PHE 14 8.140 -9.345 15.747 109 H ALA 15 H ALA 15 10.193 -6.736 14.663 110 HA ALA 15 HA ALA 15 9.445 -5.713 12.160 111 HB1 ALA 15 3HB ALA 15 11.785 -6.016 11.523 112 HB2 ALA 15 1HB ALA 15 12.038 -7.067 12.918 113 HB3 ALA 15 2HB ALA 15 11.656 -5.361 13.156 114 H ARG 16 H ARG 16 9.650 -8.984 13.254 115 HA ARG 16 HA ARG 16 8.914 -9.970 10.602 116 HE ARG 16 HE ARG 16 12.571 -10.643 9.470 117 HB2 ARG 16 2HB ARG 16 11.388 -10.125 10.793 118 HB3 ARG 16 1HB ARG 16 11.195 -11.141 12.214 119 HG2 ARG 16 2HG ARG 16 10.138 -12.866 10.882 120 HG3 ARG 16 1HG ARG 16 10.198 -11.831 9.452 121 HD2 ARG 16 2HD ARG 16 12.546 -12.973 10.974 122 HD3 ARG 16 1HD ARG 16 12.018 -13.409 9.346 123 HH11 ARG 16 1HH1 ARG 16 14.213 -13.678 9.450 124 HH12 ARG 16 2HH1 ARG 16 15.638 -13.010 8.738 125 HH21 ARG 16 1HH2 ARG 16 14.389 -9.813 8.589 126 HH22 ARG 16 2HH2 ARG 16 15.740 -10.844 8.257 127 H LYS 17 H LYS 17 7.633 -11.825 10.637 128 HA LYS 17 HA LYS 17 6.088 -12.335 12.908 129 HB2 LYS 17 2HB LYS 17 5.243 -12.856 10.715 130 HB3 LYS 17 1HB LYS 17 6.533 -14.017 10.435 131 HG2 LYS 17 2HG LYS 17 4.376 -15.091 10.933 132 HG3 LYS 17 1HG LYS 17 5.622 -15.502 12.112 133 HD2 LYS 17 2HD LYS 17 4.685 -13.754 13.629 134 HD3 LYS 17 1HD LYS 17 3.383 -13.495 12.464 135 HE2 LYS 17 2HE LYS 17 2.624 -15.774 12.753 136 HE3 LYS 17 1HE LYS 17 3.990 -16.133 13.805 137 HZ1 LYS 17 3HZ LYS 17 1.804 -14.213 14.385 138 HZ2 LYS 17 1HZ LYS 17 3.130 -14.518 15.391 139 HZ3 LYS 17 2HZ LYS 17 2.001 -15.739 15.082 140 H ALA 18 H ALA 18 8.991 -14.001 11.750 141 HA ALA 18 HA ALA 18 9.062 -16.173 13.479 142 HB1 ALA 18 3HB ALA 18 11.411 -14.504 12.573 143 HB2 ALA 18 1HB ALA 18 10.663 -15.806 11.650 144 HB3 ALA 18 2HB ALA 18 11.477 -16.161 13.172 145 H ASP 19 H ASP 19 10.312 -12.878 14.052 146 HA ASP 19 HA ASP 19 11.240 -13.268 16.668 147 HB2 ASP 19 2HB ASP 19 11.703 -11.290 15.163 148 HB3 ASP 19 1HB ASP 19 10.092 -10.694 15.555 149 H ALA 20 H ALA 20 8.035 -12.423 15.449 150 HA ALA 20 HA ALA 20 6.763 -11.900 17.904 151 HB1 ALA 20 3HB ALA 20 5.559 -13.046 15.382 152 HB2 ALA 20 1HB ALA 20 5.769 -11.333 15.743 153 HB3 ALA 20 2HB ALA 20 4.668 -12.309 16.713 154 H LEU 21 H LEU 21 7.199 -14.977 16.133 155 HA LEU 21 HA LEU 21 5.752 -16.548 18.031 156 HG LEU 21 HG LEU 21 5.726 -16.686 14.880 157 HB2 LEU 21 2HB LEU 21 7.790 -17.329 15.945 158 HB3 LEU 21 1HB LEU 21 6.962 -18.494 16.961 159 HD11 LEU 21 1HD1 LEU 21 5.100 -18.771 13.799 160 HD12 LEU 21 2HD1 LEU 21 5.845 -19.699 15.103 161 HD13 LEU 21 3HD1 LEU 21 6.847 -18.707 14.040 162 HD21 LEU 21 3HD2 LEU 21 4.239 -16.775 16.809 163 HD22 LEU 21 1HD2 LEU 21 4.351 -18.536 16.838 164 HD23 LEU 21 2HD2 LEU 21 3.574 -17.722 15.479 165 H ALA 22 H ALA 22 9.158 -15.674 17.681 166 HA ALA 22 HA ALA 22 10.249 -17.256 19.713 167 HB1 ALA 22 3HB ALA 22 11.609 -15.953 18.140 168 HB2 ALA 22 1HB ALA 22 12.055 -15.611 19.812 169 HB3 ALA 22 2HB ALA 22 11.071 -14.459 18.908 170 H PHE 23 H PHE 23 8.852 -13.984 19.902 171 HA PHE 23 HA PHE 23 9.130 -13.554 22.648 172 HD1 PHE 23 HD1 PHE 23 8.886 -10.905 23.447 173 HD2 PHE 23 HD2 PHE 23 5.055 -12.217 22.120 174 HE1 PHE 23 HE1 PHE 23 7.822 -9.654 25.279 175 HE2 PHE 23 HE2 PHE 23 3.990 -10.967 23.950 176 HZ PHE 23 HZ PHE 23 5.374 -9.684 25.531 177 HB2 PHE 23 2HB PHE 23 8.468 -11.781 21.102 178 HB3 PHE 23 1HB PHE 23 6.948 -12.600 20.770 179 H MET 24 H MET 24 6.382 -14.972 20.873 180 HA MET 24 HA MET 24 4.724 -15.571 23.040 181 HB2 MET 24 2HB MET 24 5.075 -17.060 20.426 182 HB3 MET 24 1HB MET 24 3.757 -17.342 21.554 183 HG2 MET 24 2HG MET 24 2.964 -15.066 21.228 184 HG3 MET 24 1HG MET 24 4.318 -14.740 20.144 185 HE1 MET 24 3HE MET 24 1.160 -14.841 17.778 186 HE2 MET 24 1HE MET 24 2.521 -13.865 18.330 187 HE3 MET 24 2HE MET 24 1.210 -14.260 19.442 188 H LYS 25 H LYS 25 7.203 -17.602 21.501 189 HA LYS 25 HA LYS 25 6.876 -19.888 23.081 190 HB2 LYS 25 2HB LYS 25 8.129 -19.898 20.993 191 HB3 LYS 25 1HB LYS 25 9.352 -18.845 21.692 192 HG2 LYS 25 2HG LYS 25 9.960 -20.609 23.285 193 HG3 LYS 25 1HG LYS 25 8.736 -21.667 22.576 194 HD2 LYS 25 2HD LYS 25 9.902 -21.613 20.436 195 HD3 LYS 25 1HD LYS 25 11.100 -20.499 21.097 196 HE2 LYS 25 2HE LYS 25 11.780 -22.219 22.723 197 HE3 LYS 25 1HE LYS 25 10.602 -23.332 22.024 198 HZ1 LYS 25 3HZ LYS 25 12.812 -23.743 21.166 199 HZ2 LYS 25 1HZ LYS 25 12.930 -22.150 20.605 200 HZ3 LYS 25 2HZ LYS 25 11.798 -23.202 19.925 201 H VAL 26 H VAL 26 9.224 -17.211 23.492 202 HA VAL 26 HA VAL 26 10.516 -18.199 25.763 203 HB VAL 26 HB VAL 26 10.045 -15.308 24.993 204 HG11 VAL 26 1HG1 VAL 26 12.023 -16.475 26.963 205 HG12 VAL 26 2HG1 VAL 26 10.616 -15.489 27.367 206 HG13 VAL 26 3HG1 VAL 26 11.951 -14.788 26.450 207 HG21 VAL 26 3HG2 VAL 26 11.255 -16.595 23.295 208 HG22 VAL 26 1HG2 VAL 26 12.413 -17.132 24.512 209 HG23 VAL 26 2HG2 VAL 26 12.317 -15.425 24.078 210 H MET 27 H MET 27 7.898 -15.718 25.723 211 HA MET 27 HA MET 27 7.612 -15.616 28.513 212 HB2 MET 27 2HB MET 27 5.544 -14.447 28.168 213 HB3 MET 27 1HB MET 27 6.691 -13.919 26.948 214 HG2 MET 27 2HG MET 27 5.595 -15.339 25.291 215 HG3 MET 27 1HG MET 27 4.459 -15.902 26.519 216 HE1 MET 27 3HE MET 27 2.312 -15.226 25.192 217 HE2 MET 27 1HE MET 27 3.327 -14.751 23.830 218 HE3 MET 27 2HE MET 27 2.080 -13.656 24.424 219 H LEU 28 H LEU 28 6.222 -17.807 26.165 220 HA LEU 28 HA LEU 28 4.350 -19.114 27.844 221 HG LEU 28 HG LEU 28 4.920 -22.027 26.581 222 HB2 LEU 28 2HB LEU 28 4.309 -19.300 25.427 223 HB3 LEU 28 1HB LEU 28 5.885 -20.064 25.424 224 HD11 LEU 28 1HD1 LEU 28 2.503 -22.264 26.783 225 HD12 LEU 28 2HD1 LEU 28 2.277 -20.616 26.198 226 HD13 LEU 28 3HD1 LEU 28 3.078 -20.902 27.744 227 HD21 LEU 28 3HD2 LEU 28 5.101 -22.005 24.157 228 HD22 LEU 28 1HD2 LEU 28 3.528 -21.219 24.027 229 HD23 LEU 28 2HD2 LEU 28 3.645 -22.861 24.657 230 H ASN 29 H ASN 29 7.726 -19.887 27.027 231 HA ASN 29 HA ASN 29 7.933 -22.228 28.599 232 HB2 ASN 29 2HB ASN 29 10.023 -20.324 27.519 233 HB3 ASN 29 1HB ASN 29 10.441 -21.778 28.418 234 HD21 ASN 29 1HD2 ASN 29 7.703 -21.688 26.241 235 HD22 ASN 29 2HD2 ASN 29 8.402 -22.708 25.042 236 H ARG 30 H ARG 30 8.027 -18.871 29.454 237 HA ARG 30 HA ARG 30 9.374 -19.124 31.951 238 HE ARG 30 HE ARG 30 11.673 -15.672 29.845 239 HB2 ARG 30 2HB ARG 30 7.341 -17.067 31.041 240 HB3 ARG 30 1HB ARG 30 8.333 -16.931 32.489 241 HG2 ARG 30 2HG ARG 30 9.314 -17.000 29.636 242 HG3 ARG 30 1HG ARG 30 9.275 -15.596 30.704 243 HD2 ARG 30 2HD ARG 30 10.901 -16.628 32.175 244 HD3 ARG 30 1HD ARG 30 10.874 -18.110 31.220 245 HH11 ARG 30 1HH1 ARG 30 12.634 -18.567 31.434 246 HH12 ARG 30 2HH1 ARG 30 14.204 -18.579 30.709 247 HH21 ARG 30 1HH2 ARG 30 13.708 -15.687 28.929 248 HH22 ARG 30 2HH2 ARG 30 14.802 -16.974 29.314 249 H TYR 31 H TYR 31 6.142 -19.847 30.912 250 HA TYR 31 HA TYR 31 5.215 -20.303 33.653 251 HD1 TYR 31 HD1 TYR 31 2.596 -18.983 34.023 252 HD2 TYR 31 HD2 TYR 31 4.093 -18.546 30.061 253 HE1 TYR 31 HE1 TYR 31 1.912 -16.621 34.027 254 HE2 TYR 31 HE2 TYR 31 3.414 -16.187 30.060 255 HH TYR 31 HH TYR 31 2.192 -14.630 31.127 256 HB2 TYR 31 2HB TYR 31 3.799 -20.728 31.005 257 HB3 TYR 31 1HB TYR 31 3.069 -20.946 32.590 258 H ARG 32 H ARG 32 4.115 -22.427 34.083 259 HA ARG 32 HA ARG 32 5.665 -24.670 32.961 260 HE ARG 32 HE ARG 32 4.097 -23.474 37.108 261 HB2 ARG 32 2HB ARG 32 3.928 -24.520 35.442 262 HB3 ARG 32 1HB ARG 32 4.873 -25.916 34.942 263 HG2 ARG 32 2HG ARG 32 6.927 -24.790 35.351 264 HG3 ARG 32 1HG ARG 32 6.110 -23.235 35.537 265 HD2 ARG 32 2HD ARG 32 5.875 -25.620 37.378 266 HD3 ARG 32 1HD ARG 32 6.748 -24.120 37.710 267 HH11 ARG 32 1HH1 ARG 32 5.875 -25.084 39.576 268 HH12 ARG 32 2HH1 ARG 32 4.716 -24.713 40.800 269 HH21 ARG 32 1HH2 ARG 32 2.622 -23.005 38.682 270 HH22 ARG 32 2HH2 ARG 32 2.891 -23.555 40.300 271 HA PRO 33 HA PRO 33 2.158 -26.372 30.809 272 HB2 PRO 33 2HB PRO 33 2.572 -29.028 32.053 273 HB3 PRO 33 1HB PRO 33 2.684 -28.547 30.358 274 HG2 PRO 33 2HG PRO 33 4.884 -29.125 31.763 275 HG3 PRO 33 1HG PRO 33 4.879 -27.810 30.571 276 HD2 PRO 33 2HD PRO 33 4.634 -27.646 33.566 277 HD3 PRO 33 1HD PRO 33 5.629 -26.665 32.463 278 H GLY 34 H GLY 34 1.489 -25.286 33.519 279 HA2 GLY 34 2HA GLY 34 -1.190 -26.245 33.631 280 HA3 GLY 34 1HA GLY 34 -0.256 -26.865 34.981 281 H ASP 35 H ASP 35 0.260 -23.669 33.568 282 HA ASP 35 HA ASP 35 -0.747 -22.463 36.076 283 HB2 ASP 35 2HB ASP 35 1.477 -21.568 34.237 284 HB3 ASP 35 1HB ASP 35 0.798 -20.534 35.489 285 H ILE 36 H ILE 36 -1.349 -20.096 35.818 286 HA ILE 36 HA ILE 36 -3.082 -19.741 33.465 287 HB ILE 36 HB ILE 36 -3.018 -18.224 36.091 288 HG12 ILE 36 2HG1 ILE 36 -3.851 -20.526 36.333 289 HG13 ILE 36 1HG1 ILE 36 -5.151 -19.362 36.558 290 HG21 ILE 36 1HG2 ILE 36 -4.930 -17.993 33.762 291 HG22 ILE 36 2HG2 ILE 36 -3.770 -16.776 34.294 292 HG23 ILE 36 3HG2 ILE 36 -5.132 -17.206 35.327 293 HD11 ILE 36 3HD1 ILE 36 -4.628 -20.985 34.076 294 HD12 ILE 36 1HD1 ILE 36 -5.923 -19.802 34.277 295 HD13 ILE 36 2HD1 ILE 36 -5.901 -21.262 35.267 296 H VAL 37 H VAL 37 -2.856 -18.031 32.062 297 HA VAL 37 HA VAL 37 -0.281 -16.816 31.848 298 HB VAL 37 HB VAL 37 -2.815 -16.255 30.285 299 HG11 VAL 37 1HG1 VAL 37 -1.228 -14.414 30.080 300 HG12 VAL 37 2HG1 VAL 37 -1.326 -15.321 28.571 301 HG13 VAL 37 3HG1 VAL 37 0.054 -15.547 29.648 302 HG21 VAL 37 3HG2 VAL 37 -0.481 -18.083 29.694 303 HG22 VAL 37 1HG2 VAL 37 -1.805 -17.728 28.583 304 HG23 VAL 37 2HG2 VAL 37 -2.127 -18.577 30.095 305 H SER 38 H SER 38 0.315 -14.644 32.038 306 HA SER 38 HA SER 38 -1.058 -13.191 34.118 307 HG SER 38 HG SER 38 1.844 -14.273 33.798 308 HB2 SER 38 2HB SER 38 1.435 -12.490 32.552 309 HB3 SER 38 1HB SER 38 0.850 -11.626 33.972 310 H THR 39 H THR 39 -0.779 -10.601 33.720 311 HA THR 39 HA THR 39 -3.043 -9.882 32.244 312 HB THR 39 HB THR 39 -0.809 -8.053 33.162 313 HG1 THR 39 HG1 THR 39 -1.907 -7.957 35.087 314 HG21 THR 39 3HG2 THR 39 -3.712 -7.473 32.530 315 HG22 THR 39 1HG2 THR 39 -2.319 -6.942 31.589 316 HG23 THR 39 2HG2 THR 39 -2.569 -6.323 33.221 317 H VAL 40 H VAL 40 0.277 -8.724 31.530 318 HA VAL 40 HA VAL 40 -0.374 -7.622 29.021 319 HB VAL 40 HB VAL 40 2.346 -8.599 29.933 320 HG11 VAL 40 1HG1 VAL 40 2.294 -8.123 27.550 321 HG12 VAL 40 2HG1 VAL 40 3.224 -6.884 28.392 322 HG13 VAL 40 3HG1 VAL 40 1.579 -6.539 27.856 323 HG21 VAL 40 3HG2 VAL 40 2.718 -6.321 30.752 324 HG22 VAL 40 1HG2 VAL 40 1.362 -7.086 31.582 325 HG23 VAL 40 2HG2 VAL 40 1.063 -5.891 30.320 326 H ASP 41 H ASP 41 1.081 -10.727 29.874 327 HA ASP 41 HA ASP 41 1.564 -11.758 27.340 328 HB2 ASP 41 2HB ASP 41 0.654 -13.332 29.762 329 HB3 ASP 41 1HB ASP 41 1.621 -13.925 28.415 330 H GLY 42 H GLY 42 -1.384 -12.010 29.339 331 HA2 GLY 42 2HA GLY 42 -2.894 -13.540 27.478 332 HA3 GLY 42 1HA GLY 42 -3.543 -12.626 28.827 333 H ALA 43 H ALA 43 -2.766 -10.037 28.115 334 HA ALA 43 HA ALA 43 -4.766 -9.218 26.334 335 HB1 ALA 43 3HB ALA 43 -3.687 -7.024 26.384 336 HB2 ALA 43 1HB ALA 43 -2.236 -7.742 27.082 337 HB3 ALA 43 2HB ALA 43 -3.742 -7.733 27.997 338 H PHE 44 H PHE 44 -1.286 -9.669 25.801 339 HA PHE 44 HA PHE 44 -1.099 -8.982 23.111 340 HD1 PHE 44 HD2 PHE 44 1.636 -8.495 22.391 341 HD2 PHE 44 HD1 PHE 44 0.962 -12.670 22.905 342 HE1 PHE 44 HE2 PHE 44 2.987 -8.957 20.393 343 HE2 PHE 44 HE1 PHE 44 2.309 -13.138 20.900 344 HZ PHE 44 HZ PHE 44 3.324 -11.280 19.640 345 HB2 PHE 44 2HB PHE 44 0.846 -9.444 24.540 346 HB3 PHE 44 1HB PHE 44 0.389 -11.140 24.636 347 H LEU 45 H LEU 45 -1.923 -12.119 24.574 348 HA LEU 45 HA LEU 45 -2.171 -13.609 22.204 349 HG LEU 45 HG LEU 45 -1.067 -14.176 24.951 350 HB2 LEU 45 2HB LEU 45 -3.554 -13.949 24.868 351 HB3 LEU 45 1HB LEU 45 -3.583 -15.143 23.583 352 HD11 LEU 45 1HD1 LEU 45 -1.062 -16.337 26.094 353 HD12 LEU 45 2HD1 LEU 45 -2.630 -16.720 25.383 354 HD13 LEU 45 3HD1 LEU 45 -2.483 -15.381 26.522 355 HD21 LEU 45 3HD2 LEU 45 -0.668 -14.968 22.688 356 HD22 LEU 45 1HD2 LEU 45 -1.559 -16.454 23.027 357 HD23 LEU 45 2HD2 LEU 45 -0.037 -16.126 23.858 358 H VAL 46 H VAL 46 -4.625 -11.750 24.012 359 HA VAL 46 HA VAL 46 -6.859 -12.410 22.450 360 HB VAL 46 HB VAL 46 -6.309 -9.764 23.825 361 HG11 VAL 46 1HG1 VAL 46 -8.914 -10.987 22.900 362 HG12 VAL 46 2HG1 VAL 46 -8.127 -9.560 22.225 363 HG13 VAL 46 3HG1 VAL 46 -8.765 -9.520 23.869 364 HG21 VAL 46 3HG2 VAL 46 -7.597 -10.687 25.699 365 HG22 VAL 46 1HG2 VAL 46 -6.152 -11.644 25.377 366 HG23 VAL 46 2HG2 VAL 46 -7.730 -12.227 24.850 367 H GLU 47 H GLU 47 -4.558 -9.716 22.072 368 HA GLU 47 HA GLU 47 -5.722 -8.658 19.711 369 HB2 GLU 47 2HB GLU 47 -2.861 -8.429 20.675 370 HB3 GLU 47 1HB GLU 47 -3.626 -7.406 19.467 371 HG2 GLU 47 2HG GLU 47 -4.338 -7.584 22.390 372 HG3 GLU 47 1HG GLU 47 -3.502 -6.258 21.586 373 H ALA 48 H ALA 48 -3.258 -11.123 20.258 374 HA ALA 48 HA ALA 48 -2.541 -11.445 17.510 375 HB1 ALA 48 3HB ALA 48 -2.230 -13.386 19.803 376 HB2 ALA 48 1HB ALA 48 -1.069 -12.140 19.346 377 HB3 ALA 48 2HB ALA 48 -1.408 -13.475 18.244 378 H LEU 49 H LEU 49 -5.119 -12.658 19.497 379 HA LEU 49 HA LEU 49 -5.866 -14.829 17.764 380 HG LEU 49 HG LEU 49 -8.961 -14.677 18.607 381 HB2 LEU 49 2HB LEU 49 -6.358 -14.932 20.140 382 HB3 LEU 49 1HB LEU 49 -7.330 -13.477 20.036 383 HD11 LEU 49 1HD1 LEU 49 -8.822 -17.120 18.401 384 HD12 LEU 49 2HD1 LEU 49 -7.231 -17.092 19.162 385 HD13 LEU 49 3HD1 LEU 49 -7.476 -16.317 17.596 386 HD21 LEU 49 3HD2 LEU 49 -9.315 -14.559 21.019 387 HD22 LEU 49 1HD2 LEU 49 -8.373 -16.033 21.244 388 HD23 LEU 49 2HD2 LEU 49 -9.905 -16.089 20.372 389 H LYS 50 H LYS 50 -7.167 -11.562 18.395 390 HA LYS 50 HA LYS 50 -9.483 -11.745 16.856 391 HB2 LYS 50 2HB LYS 50 -9.505 -9.285 16.840 392 HB3 LYS 50 1HB LYS 50 -9.139 -9.935 18.432 393 HG2 LYS 50 2HG LYS 50 -6.781 -9.452 18.118 394 HG3 LYS 50 1HG LYS 50 -7.099 -8.868 16.484 395 HD2 LYS 50 2HD LYS 50 -6.849 -7.018 18.084 396 HD3 LYS 50 1HD LYS 50 -8.465 -7.054 17.376 397 HE2 LYS 50 2HE LYS 50 -9.364 -8.075 19.379 398 HE3 LYS 50 1HE LYS 50 -7.748 -8.208 20.075 399 HZ1 LYS 50 3HZ LYS 50 -9.015 -6.314 20.946 400 HZ2 LYS 50 1HZ LYS 50 -9.085 -5.647 19.393 401 HZ3 LYS 50 2HZ LYS 50 -7.593 -5.827 20.168 402 H ARG 51 H ARG 51 -6.198 -11.216 15.750 403 HA ARG 51 HA ARG 51 -7.030 -10.346 13.119 404 HE ARG 51 HE ARG 51 -2.533 -8.899 14.975 405 HB2 ARG 51 2HB ARG 51 -4.593 -10.601 12.540 406 HB3 ARG 51 1HB ARG 51 -4.948 -9.470 13.836 407 HG2 ARG 51 2HG ARG 51 -4.171 -10.994 15.492 408 HG3 ARG 51 1HG ARG 51 -4.059 -12.307 14.316 409 HD2 ARG 51 2HD ARG 51 -1.863 -11.275 14.901 410 HD3 ARG 51 1HD ARG 51 -2.246 -11.232 13.181 411 HH11 ARG 51 1HH1 ARG 51 -1.726 -10.277 11.924 412 HH12 ARG 51 2HH1 ARG 51 -1.253 -8.769 11.236 413 HH21 ARG 51 1HH2 ARG 51 -1.931 -6.968 14.085 414 HH22 ARG 51 2HH2 ARG 51 -1.378 -6.905 12.446 415 H HIS 52 H HIS 52 -7.736 -13.110 14.308 416 HA HIS 52 HA HIS 52 -7.127 -14.619 11.833 417 HD1 HIS 52 HD1 HIS 52 -5.419 -17.204 12.279 418 HD2 HIS 52 HD2 HIS 52 -5.486 -14.945 15.765 419 HE1 HIS 52 HE1 HIS 52 -3.088 -17.312 13.191 420 HE2 HIS 52 HE2 HIS 52 -3.225 -16.151 15.415 421 HB2 HIS 52 2HB HIS 52 -7.918 -15.636 14.581 422 HB3 HIS 52 1HB HIS 52 -7.800 -16.652 13.151 423 HA PRO 53 HA PRO 53 -11.424 -14.052 10.731 424 HB2 PRO 53 2HB PRO 53 -11.802 -16.352 9.248 425 HB3 PRO 53 1HB PRO 53 -11.023 -14.891 8.631 426 HG2 PRO 53 2HG PRO 53 -9.769 -17.397 9.701 427 HG3 PRO 53 1HG PRO 53 -9.309 -16.428 8.288 428 HD2 PRO 53 2HD PRO 53 -7.966 -16.247 10.607 429 HD3 PRO 53 1HD PRO 53 -8.235 -14.820 9.582 430 H ASP 54 H ASP 54 -10.272 -17.017 12.185 431 HA ASP 54 HA ASP 54 -12.816 -18.108 12.885 432 HB2 ASP 54 2HB ASP 54 -10.218 -18.714 14.296 433 HB3 ASP 54 1HB ASP 54 -11.589 -19.783 14.012 434 H ALA 55 H ALA 55 -10.994 -15.538 14.165 435 HA ALA 55 HA ALA 55 -11.154 -15.783 16.911 436 HB1 ALA 55 3HB ALA 55 -11.359 -13.242 15.303 437 HB2 ALA 55 1HB ALA 55 -9.867 -14.046 15.790 438 HB3 ALA 55 2HB ALA 55 -10.935 -13.353 17.012 439 H THR 56 H THR 56 -13.638 -14.466 14.720 440 HA THR 56 HA THR 56 -15.428 -13.406 16.531 441 HB THR 56 HB THR 56 -15.867 -13.180 14.174 442 HG1 THR 56 HG1 THR 56 -18.130 -13.959 14.174 443 HG21 THR 56 3HG2 THR 56 -16.668 -15.066 12.799 444 HG22 THR 56 1HG2 THR 56 -16.358 -16.166 14.143 445 HG23 THR 56 2HG2 THR 56 -15.019 -15.319 13.368 446 H SER 57 H SER 57 -15.033 -16.817 15.658 447 HA SER 57 HA SER 57 -17.191 -17.686 17.392 448 HG SER 57 HG SER 57 -17.298 -20.192 17.356 449 HB2 SER 57 2HB SER 57 -16.840 -18.991 15.401 450 HB3 SER 57 1HB SER 57 -15.133 -19.220 15.781 451 H LYS 58 H LYS 58 -13.692 -17.454 17.546 452 HA LYS 58 HA LYS 58 -13.526 -19.115 19.913 453 HB2 LYS 58 2HB LYS 58 -11.348 -17.499 18.580 454 HB3 LYS 58 1HB LYS 58 -11.126 -18.755 19.793 455 HG2 LYS 58 2HG LYS 58 -12.249 -20.341 18.152 456 HG3 LYS 58 1HG LYS 58 -12.066 -19.062 16.951 457 HD2 LYS 58 2HD LYS 58 -9.616 -19.075 17.384 458 HD3 LYS 58 1HD LYS 58 -9.849 -20.440 18.480 459 HE2 LYS 58 2HE LYS 58 -10.349 -20.348 15.508 460 HE3 LYS 58 1HE LYS 58 -9.156 -21.317 16.366 461 HZ1 LYS 58 3HZ LYS 58 -10.983 -22.553 17.392 462 HZ2 LYS 58 1HZ LYS 58 -11.034 -22.662 15.706 463 HZ3 LYS 58 2HZ LYS 58 -12.110 -21.644 16.525 464 H ILE 59 H ILE 59 -14.242 -15.876 19.395 465 HA ILE 59 HA ILE 59 -13.450 -15.159 22.151 466 HB ILE 59 HB ILE 59 -14.251 -13.336 19.862 467 HG12 ILE 59 2HG1 ILE 59 -11.557 -13.740 21.204 468 HG13 ILE 59 1HG1 ILE 59 -12.002 -14.340 19.611 469 HG21 ILE 59 1HG2 ILE 59 -13.626 -11.489 21.364 470 HG22 ILE 59 2HG2 ILE 59 -13.364 -12.647 22.670 471 HG23 ILE 59 3HG2 ILE 59 -14.980 -12.426 21.997 472 HD11 ILE 59 3HD1 ILE 59 -10.634 -12.338 19.464 473 HD12 ILE 59 1HD1 ILE 59 -11.822 -11.441 20.409 474 HD13 ILE 59 2HD1 ILE 59 -12.246 -12.052 18.811 475 H GLY 60 H GLY 60 -16.145 -14.593 19.858 476 HA2 GLY 60 2HA GLY 60 -18.416 -14.488 20.157 477 HA3 GLY 60 1HA GLY 60 -18.180 -15.566 21.519 478 HA PRO 61 HA PRO 61 -19.757 -12.015 23.790 479 HB2 PRO 61 2HB PRO 61 -19.937 -13.185 26.215 480 HB3 PRO 61 1HB PRO 61 -21.058 -13.570 24.903 481 HG2 PRO 61 2HG PRO 61 -18.636 -15.081 25.830 482 HG3 PRO 61 1HG PRO 61 -20.245 -15.701 25.409 483 HD2 PRO 61 2HD PRO 61 -18.121 -15.778 23.696 484 HD3 PRO 61 1HD PRO 61 -19.804 -15.659 23.147 485 H GLY 62 H GLY 62 -16.771 -13.701 24.480 486 HA2 GLY 62 2HA GLY 62 -15.109 -11.659 24.963 487 HA3 GLY 62 1HA GLY 62 -15.938 -11.771 26.507 488 H VAL 63 H VAL 63 -13.346 -12.048 26.697 489 HA VAL 63 HA VAL 63 -12.772 -14.952 26.756 490 HB VAL 63 HB VAL 63 -10.786 -12.670 26.548 491 HG11 VAL 63 1HG1 VAL 63 -10.335 -15.660 26.477 492 HG12 VAL 63 2HG1 VAL 63 -9.869 -14.570 27.784 493 HG13 VAL 63 3HG1 VAL 63 -9.105 -14.426 26.201 494 HG21 VAL 63 3HG2 VAL 63 -10.366 -13.513 24.273 495 HG22 VAL 63 1HG2 VAL 63 -12.030 -12.960 24.472 496 HG23 VAL 63 2HG2 VAL 63 -11.668 -14.686 24.475 497 H ARG 64 H ARG 64 -12.647 -15.819 28.731 498 HA ARG 64 HA ARG 64 -12.724 -14.208 31.101 499 HE ARG 64 HE ARG 64 -12.728 -16.750 35.285 500 HB2 ARG 64 2HB ARG 64 -13.901 -16.413 30.782 501 HB3 ARG 64 1HB ARG 64 -12.339 -17.208 30.873 502 HG2 ARG 64 2HG ARG 64 -13.315 -15.461 33.117 503 HG3 ARG 64 1HG ARG 64 -13.844 -17.136 32.971 504 HD2 ARG 64 2HD ARG 64 -11.431 -17.808 32.940 505 HD3 ARG 64 1HD ARG 64 -11.018 -16.133 33.299 506 HH11 ARG 64 1HH1 ARG 64 -9.948 -18.355 34.044 507 HH12 ARG 64 2HH1 ARG 64 -9.526 -19.045 35.573 508 HH21 ARG 64 1HH2 ARG 64 -12.182 -17.670 37.247 509 HH22 ARG 64 2HH2 ARG 64 -10.781 -18.679 37.350 510 H ASN 65 H ASN 65 -10.352 -16.579 29.842 511 HA ASN 65 HA ASN 65 -8.130 -14.902 30.367 512 HB2 ASN 65 2HB ASN 65 -7.017 -16.105 32.159 513 HB3 ASN 65 1HB ASN 65 -8.598 -15.575 32.720 514 HD21 ASN 65 1HD2 ASN 65 -6.792 -17.798 33.546 515 HD22 ASN 65 2HD2 ASN 65 -7.776 -19.217 33.489 516 H PHE 66 H PHE 66 -6.006 -16.387 30.350 517 HA PHE 66 HA PHE 66 -6.405 -18.585 28.414 518 HD1 PHE 66 HD1 PHE 66 -5.732 -14.806 28.066 519 HD2 PHE 66 HD2 PHE 66 -5.114 -18.156 25.505 520 HE1 PHE 66 HE1 PHE 66 -6.774 -13.577 26.209 521 HE2 PHE 66 HE2 PHE 66 -6.154 -16.927 23.645 522 HZ PHE 66 HZ PHE 66 -6.986 -14.635 23.995 523 HB2 PHE 66 2HB PHE 66 -4.109 -16.618 28.618 524 HB3 PHE 66 1HB PHE 66 -4.059 -18.072 27.629 525 H GLU 67 H GLU 67 -5.245 -20.485 28.732 526 HA GLU 67 HA GLU 67 -3.786 -20.690 31.299 527 HB2 GLU 67 2HB GLU 67 -6.100 -21.640 31.387 528 HB3 GLU 67 1HB GLU 67 -5.634 -22.792 30.144 529 HG2 GLU 67 2HG GLU 67 -4.035 -23.821 31.608 530 HG3 GLU 67 1HG GLU 67 -4.280 -22.569 32.826 531 H VAL 68 H VAL 68 -1.974 -22.009 31.359 532 HA VAL 68 HA VAL 68 -0.895 -22.749 28.724 533 HB VAL 68 HB VAL 68 0.555 -22.326 31.351 534 HG11 VAL 68 1HG1 VAL 68 1.645 -22.827 28.575 535 HG12 VAL 68 2HG1 VAL 68 1.722 -23.938 29.942 536 HG13 VAL 68 3HG1 VAL 68 2.610 -22.415 29.994 537 HG21 VAL 68 3HG2 VAL 68 1.405 -20.270 30.303 538 HG22 VAL 68 1HG2 VAL 68 -0.353 -20.247 30.452 539 HG23 VAL 68 2HG2 VAL 68 0.396 -20.576 28.888 540 H ARG 69 H ARG 69 -0.871 -24.834 28.174 541 HA ARG 69 HA ARG 69 -0.337 -26.870 30.252 542 HE ARG 69 HE ARG 69 -5.384 -26.417 31.032 543 HB2 ARG 69 2HB ARG 69 -2.333 -27.169 27.989 544 HB3 ARG 69 1HB ARG 69 -1.892 -28.423 29.139 545 HG2 ARG 69 2HG ARG 69 -2.850 -27.071 30.956 546 HG3 ARG 69 1HG ARG 69 -3.322 -25.846 29.774 547 HD2 ARG 69 2HD ARG 69 -4.688 -27.542 28.604 548 HD3 ARG 69 1HD ARG 69 -4.265 -28.718 29.850 549 HH11 ARG 69 1HH1 ARG 69 -6.277 -29.175 29.174 550 HH12 ARG 69 2HH1 ARG 69 -7.898 -29.186 29.776 551 HH21 ARG 69 1HH2 ARG 69 -7.438 -26.446 31.804 552 HH22 ARG 69 2HH2 ARG 69 -8.549 -27.659 31.257 553 H SER 70 H SER 70 0.539 -28.925 29.354 554 HA SER 70 HA SER 70 2.274 -28.531 27.068 555 HG SER 70 HG SER 70 3.686 -31.739 27.649 556 HB2 SER 70 2HB SER 70 3.011 -29.979 28.939 557 HB3 SER 70 1HB SER 70 1.675 -31.084 28.606 558 H ALA 71 H ALA 71 0.875 -28.100 25.371 559 HA ALA 71 HA ALA 71 -1.575 -29.377 24.915 560 HB1 ALA 71 3HB ALA 71 -1.026 -27.183 24.030 561 HB2 ALA 71 1HB ALA 71 -1.538 -28.269 22.740 562 HB3 ALA 71 2HB ALA 71 0.174 -27.900 22.954 563 H ASP 72 H ASP 72 1.275 -29.660 22.778 564 HA ASP 72 HA ASP 72 0.847 -32.511 22.485 565 HB2 ASP 72 2HB ASP 72 0.550 -32.363 20.013 566 HB3 ASP 72 1HB ASP 72 -0.799 -31.695 20.922 567 H TYR 73 H TYR 73 2.483 -33.567 21.172 568 HA TYR 73 HA TYR 73 4.640 -34.032 20.638 569 HD1 TYR 73 HD1 TYR 73 4.611 -34.764 18.673 570 HD2 TYR 73 HD2 TYR 73 3.314 -30.825 17.705 571 HE1 TYR 73 HE1 TYR 73 3.415 -35.643 16.721 572 HE2 TYR 73 HE2 TYR 73 2.112 -31.701 15.744 573 HH TYR 73 HH TYR 73 2.165 -33.641 14.262 574 HB2 TYR 73 2HB TYR 73 4.532 -31.167 19.676 575 HB3 TYR 73 1HB TYR 73 5.861 -32.268 19.325 576 H GLY 74 H GLY 74 4.088 -32.856 23.353 577 HA2 GLY 74 2HA GLY 74 5.360 -32.461 25.235 578 HA3 GLY 74 1HA GLY 74 6.790 -32.747 24.256 579 H THR 75 H THR 75 4.572 -30.304 23.228 580 HA THR 75 HA THR 75 6.391 -28.204 24.247 581 HB THR 75 HB THR 75 5.896 -26.854 22.256 582 HG1 THR 75 HG1 THR 75 3.994 -28.781 21.843 583 HG21 THR 75 3HG2 THR 75 7.852 -28.335 22.205 584 HG22 THR 75 1HG2 THR 75 7.141 -28.159 20.601 585 HG23 THR 75 2HG2 THR 75 6.860 -29.629 21.534 586 H GLN 76 H GLN 76 5.520 -26.516 25.295 587 HA GLN 76 HA GLN 76 2.851 -26.556 26.221 588 HB2 GLN 76 2HB GLN 76 4.966 -24.391 26.245 589 HB3 GLN 76 1HB GLN 76 3.415 -24.228 27.056 590 HG2 GLN 76 2HG GLN 76 3.930 -25.970 28.585 591 HG3 GLN 76 1HG GLN 76 5.344 -26.462 27.653 592 HE21 GLN 76 1HE2 GLN 76 4.046 -23.968 29.751 593 HE22 GLN 76 2HE2 GLN 76 5.566 -23.302 30.204 594 H CYS 77 H CYS 77 1.110 -25.143 25.781 595 HA CYS 77 HA CYS 77 1.327 -23.164 23.669 596 HG CYS 77 HG CYS 77 2.231 -25.780 22.345 597 HB2 CYS 77 2HB CYS 77 -0.515 -25.546 23.391 598 HB3 CYS 77 1HB CYS 77 -0.709 -24.062 22.467 599 H PHE 78 H PHE 78 -0.686 -21.865 23.465 600 HA PHE 78 HA PHE 78 -1.759 -21.387 26.135 601 HD1 PHE 78 HD2 PHE 78 -0.919 -18.915 27.041 602 HD2 PHE 78 HD1 PHE 78 0.264 -19.377 22.974 603 HE1 PHE 78 HE2 PHE 78 1.255 -17.888 27.559 604 HE2 PHE 78 HE1 PHE 78 2.440 -18.351 23.489 605 HZ PHE 78 HZ PHE 78 2.939 -17.602 25.785 606 HB2 PHE 78 2HB PHE 78 -1.978 -19.754 23.591 607 HB3 PHE 78 1HB PHE 78 -2.580 -19.257 25.166 608 H TRP 79 H TRP 79 -3.773 -21.831 26.750 609 HA TRP 79 HA TRP 79 -5.748 -22.744 24.765 610 HD1 TRP 79 HD1 TRP 79 -3.170 -24.343 26.848 611 HE1 TRP 79 HE1 TRP 79 -2.873 -26.823 26.230 612 HE3 TRP 79 HE3 TRP 79 -8.065 -25.565 26.012 613 HZ2 TRP 79 HZ2 TRP 79 -4.497 -29.010 25.497 614 HZ3 TRP 79 HZ3 TRP 79 -8.610 -27.876 25.363 615 HH2 TRP 79 HH2 TRP 79 -6.860 -29.563 25.110 616 HB2 TRP 79 2HB TRP 79 -5.590 -23.090 27.770 617 HB3 TRP 79 1HB TRP 79 -6.991 -23.569 26.816 618 H ILE 80 H ILE 80 -7.533 -21.564 24.308 619 HA ILE 80 HA ILE 80 -7.856 -18.965 25.587 620 HB ILE 80 HB ILE 80 -9.522 -20.122 23.341 621 HG12 ILE 80 2HG1 ILE 80 -7.028 -18.408 23.093 622 HG13 ILE 80 1HG1 ILE 80 -7.085 -20.139 22.776 623 HG21 ILE 80 1HG2 ILE 80 -10.488 -18.172 24.444 624 HG22 ILE 80 2HG2 ILE 80 -9.962 -17.759 22.813 625 HG23 ILE 80 3HG2 ILE 80 -8.990 -17.270 24.203 626 HD11 ILE 80 3HD1 ILE 80 -7.168 -18.869 20.713 627 HD12 ILE 80 1HD1 ILE 80 -8.607 -18.018 21.273 628 HD13 ILE 80 2HD1 ILE 80 -8.675 -19.751 20.958 629 H LEU 81 H LEU 81 -8.956 -19.017 27.497 630 HA LEU 81 HA LEU 81 -11.393 -20.644 27.730 631 HG LEU 81 HG LEU 81 -9.601 -21.165 30.993 632 HB2 LEU 81 2HB LEU 81 -9.871 -19.019 29.780 633 HB3 LEU 81 1HB LEU 81 -11.384 -19.833 30.117 634 HD11 LEU 81 1HD1 LEU 81 -9.943 -23.276 29.835 635 HD12 LEU 81 2HD1 LEU 81 -10.617 -22.423 28.447 636 HD13 LEU 81 3HD1 LEU 81 -11.457 -22.388 29.998 637 HD21 LEU 81 3HD2 LEU 81 -7.792 -22.056 29.612 638 HD22 LEU 81 1HD2 LEU 81 -7.761 -20.294 29.653 639 HD23 LEU 81 2HD2 LEU 81 -8.381 -21.132 28.230 640 H ARG 82 H ARG 82 -13.153 -19.684 26.865 641 HA ARG 82 HA ARG 82 -13.397 -16.785 26.825 642 HE ARG 82 HE ARG 82 -14.231 -20.656 24.486 643 HB2 ARG 82 2HB ARG 82 -15.162 -18.988 25.739 644 HB3 ARG 82 1HB ARG 82 -15.607 -17.287 25.667 645 HG2 ARG 82 2HG ARG 82 -14.676 -17.789 23.574 646 HG3 ARG 82 1HG ARG 82 -13.431 -16.895 24.444 647 HD2 ARG 82 2HD ARG 82 -12.323 -18.694 23.382 648 HD3 ARG 82 1HD ARG 82 -12.446 -19.139 25.082 649 HH11 ARG 82 1HH1 ARG 82 -12.401 -19.359 21.886 650 HH12 ARG 82 2HH1 ARG 82 -12.849 -20.624 20.791 651 HH21 ARG 82 1HH2 ARG 82 -14.798 -22.301 23.049 652 HH22 ARG 82 2HH2 ARG 82 -14.174 -22.251 21.434 653 H THR 83 H THR 83 -15.268 -15.635 27.631 654 HA THR 83 HA THR 83 -15.999 -16.207 30.288 655 HB THR 83 HB THR 83 -17.772 -14.485 30.001 656 HG1 THR 83 HG1 THR 83 -18.186 -13.631 28.003 657 HG21 THR 83 3HG2 THR 83 -15.482 -13.766 30.481 658 HG22 THR 83 1HG2 THR 83 -16.282 -12.612 29.413 659 HG23 THR 83 2HG2 THR 83 -15.110 -13.756 28.757 660 H ASP 84 H ASP 84 -17.438 -17.102 27.243 661 HA ASP 84 HA ASP 84 -19.911 -18.103 28.056 662 HB2 ASP 84 2HB ASP 84 -19.322 -17.837 25.715 663 HB3 ASP 84 1HB ASP 84 -18.032 -19.027 25.861 664 H GLY 85 H GLY 85 -16.720 -19.378 28.563 665 HA2 GLY 85 2HA GLY 85 -16.346 -21.040 30.279 666 HA3 GLY 85 1HA GLY 85 -17.862 -21.799 29.817 667 H SER 86 H SER 86 -17.352 -21.624 26.970 668 HA SER 86 HA SER 86 -16.059 -24.050 26.465 669 HG SER 86 HG SER 86 -16.351 -24.188 23.494 670 HB2 SER 86 2HB SER 86 -17.610 -23.186 24.852 671 HB3 SER 86 1HB SER 86 -16.663 -21.712 24.641 672 H GLU 87 H GLU 87 -14.035 -24.630 25.765 673 HA GLU 87 HA GLU 87 -11.938 -22.552 25.839 674 HB2 GLU 87 2HB GLU 87 -10.386 -24.528 26.385 675 HB3 GLU 87 1HB GLU 87 -11.455 -23.949 27.650 676 HG2 GLU 87 2HG GLU 87 -11.347 -26.374 27.639 677 HG3 GLU 87 1HG GLU 87 -12.971 -25.813 27.260 678 H GLU 88 H GLU 88 -10.134 -22.772 24.394 679 HA GLU 88 HA GLU 88 -10.169 -24.870 22.397 680 HB2 GLU 88 2HB GLU 88 -10.729 -22.008 21.663 681 HB3 GLU 88 1HB GLU 88 -9.894 -23.063 20.531 682 HG2 GLU 88 2HG GLU 88 -11.830 -24.649 20.728 683 HG3 GLU 88 1HG GLU 88 -12.669 -23.406 21.652 684 H ARG 89 H ARG 89 -8.150 -25.588 22.521 685 HA ARG 89 HA ARG 89 -5.810 -24.016 22.880 686 HE ARG 89 HE ARG 89 -5.483 -28.363 20.867 687 HB2 ARG 89 2HB ARG 89 -5.760 -26.408 23.299 688 HB3 ARG 89 1HB ARG 89 -6.233 -26.753 21.642 689 HG2 ARG 89 2HG ARG 89 -4.059 -25.668 20.922 690 HG3 ARG 89 1HG ARG 89 -3.597 -25.671 22.625 691 HD2 ARG 89 2HD ARG 89 -2.687 -27.615 21.435 692 HD3 ARG 89 1HD ARG 89 -3.816 -28.097 22.700 693 HH11 ARG 89 1HH1 ARG 89 -2.096 -28.629 20.161 694 HH12 ARG 89 2HH1 ARG 89 -2.381 -29.593 18.755 695 HH21 ARG 89 1HH2 ARG 89 -5.791 -29.624 19.081 696 HH22 ARG 89 2HH2 ARG 89 -4.425 -30.145 18.153 697 H PHE 90 H PHE 90 -4.827 -22.662 21.423 698 HA PHE 90 HA PHE 90 -5.322 -23.175 18.556 699 HD1 PHE 90 HD1 PHE 90 -5.165 -20.601 21.790 700 HD2 PHE 90 HD2 PHE 90 -3.792 -19.207 18.003 701 HE1 PHE 90 HE1 PHE 90 -3.884 -18.821 22.905 702 HE2 PHE 90 HE2 PHE 90 -2.506 -17.436 19.118 703 HZ PHE 90 HZ PHE 90 -2.554 -17.237 21.568 704 HB2 PHE 90 2HB PHE 90 -5.387 -20.871 18.067 705 HB3 PHE 90 1HB PHE 90 -6.383 -21.062 19.501 706 H SER 91 H SER 91 -3.612 -23.641 17.375 707 HA SER 91 HA SER 91 -0.991 -23.687 18.499 708 HG SER 91 HG SER 91 -1.714 -26.359 16.259 709 HB2 SER 91 2HB SER 91 -1.920 -24.198 15.660 710 HB3 SER 91 1HB SER 91 -0.286 -24.496 16.245 711 H TYR 92 H TYR 92 -0.542 -21.484 19.016 712 HA TYR 92 HA TYR 92 -0.434 -19.350 17.228 713 HD1 TYR 92 HD1 TYR 92 0.702 -21.382 20.758 714 HD2 TYR 92 HD2 TYR 92 3.454 -18.807 18.764 715 HE1 TYR 92 HE1 TYR 92 2.577 -22.546 21.846 716 HE2 TYR 92 HE2 TYR 92 5.331 -19.965 19.849 717 HH TYR 92 HH TYR 92 4.887 -22.901 21.667 718 HB2 TYR 92 2HB TYR 92 1.125 -18.300 18.737 719 HB3 TYR 92 1HB TYR 92 -0.021 -19.217 19.707 720 H LYS 93 H LYS 93 1.731 -22.044 17.649 721 HA LYS 93 HA LYS 93 3.947 -21.244 16.155 722 HB2 LYS 93 2HB LYS 93 4.291 -23.733 15.830 723 HB3 LYS 93 1HB LYS 93 4.107 -23.197 17.495 724 HG2 LYS 93 2HG LYS 93 1.741 -23.895 17.446 725 HG3 LYS 93 1HG LYS 93 1.963 -24.481 15.799 726 HD2 LYS 93 2HD LYS 93 3.534 -26.157 16.548 727 HD3 LYS 93 1HD LYS 93 3.526 -25.494 18.184 728 HE2 LYS 93 2HE LYS 93 1.200 -26.135 18.472 729 HE3 LYS 93 1HE LYS 93 1.111 -26.685 16.800 730 HZ1 LYS 93 3HZ LYS 93 2.612 -28.449 17.278 731 HZ2 LYS 93 1HZ LYS 93 1.399 -28.489 18.454 732 HZ3 LYS 93 2HZ LYS 93 2.925 -27.866 18.829 733 H LYS 94 H LYS 94 0.775 -22.097 15.055 734 HA LYS 94 HA LYS 94 1.759 -22.144 12.273 735 HB2 LYS 94 2HB LYS 94 -0.642 -23.490 13.508 736 HB3 LYS 94 1HB LYS 94 -0.498 -23.250 11.768 737 HG2 LYS 94 2HG LYS 94 1.732 -24.442 11.922 738 HG3 LYS 94 1HG LYS 94 1.269 -24.892 13.564 739 HD2 LYS 94 2HD LYS 94 -0.604 -26.148 12.776 740 HD3 LYS 94 1HD LYS 94 -0.431 -25.500 11.143 741 HE2 LYS 94 2HE LYS 94 1.521 -27.328 12.554 742 HE3 LYS 94 1HE LYS 94 0.420 -27.786 11.255 743 HZ1 LYS 94 3HZ LYS 94 1.583 -26.193 9.806 744 HZ2 LYS 94 1HZ LYS 94 2.612 -27.412 10.371 745 HZ3 LYS 94 2HZ LYS 94 2.679 -25.865 11.051 746 H CYS 95 H CYS 95 0.947 -19.851 14.111 747 HA CYS 95 HA CYS 95 -1.241 -18.630 12.634 748 HG CYS 95 HG CYS 95 -1.580 -19.563 15.428 749 HB2 CYS 95 2HB CYS 95 0.593 -17.576 14.799 750 HB3 CYS 95 1HB CYS 95 -0.667 -16.609 14.038 751 H VAL 96 H VAL 96 0.909 -19.423 11.006 752 HA VAL 96 HA VAL 96 1.906 -16.829 9.997 753 HB VAL 96 HB VAL 96 3.386 -19.464 9.757 754 HG11 VAL 96 1HG1 VAL 96 5.267 -18.065 9.025 755 HG12 VAL 96 2HG1 VAL 96 4.245 -16.632 9.146 756 HG13 VAL 96 3HG1 VAL 96 3.868 -17.887 7.965 757 HG21 VAL 96 3HG2 VAL 96 3.948 -17.190 11.666 758 HG22 VAL 96 1HG2 VAL 96 4.962 -18.613 11.428 759 HG23 VAL 96 2HG2 VAL 96 3.343 -18.786 12.105 760 H LEU 97 H LEU 97 1.767 -20.226 8.916 761 HA LEU 97 HA LEU 97 0.154 -19.411 6.591 762 HG LEU 97 HG LEU 97 3.152 -18.930 6.248 763 HB2 LEU 97 2HB LEU 97 2.526 -21.286 6.611 764 HB3 LEU 97 1HB LEU 97 1.386 -21.189 5.281 765 HD11 LEU 97 1HD1 LEU 97 4.417 -20.696 5.123 766 HD12 LEU 97 2HD1 LEU 97 4.348 -19.233 4.142 767 HD13 LEU 97 3HD1 LEU 97 3.320 -20.610 3.744 768 HD21 LEU 97 3HD2 LEU 97 2.354 -17.719 4.289 769 HD22 LEU 97 1HD2 LEU 97 1.009 -18.142 5.350 770 HD23 LEU 97 2HD2 LEU 97 1.290 -19.064 3.872 771 H GLU 98 H GLU 98 -0.972 -21.330 5.573 772 HA GLU 98 HA GLU 98 -2.381 -22.643 7.703 773 HB2 GLU 98 2HB GLU 98 -3.866 -23.470 5.836 774 HB3 GLU 98 1HB GLU 98 -3.746 -21.728 6.008 775 HG2 GLU 98 2HG GLU 98 -3.681 -22.111 3.707 776 HG3 GLU 98 1HG GLU 98 -2.005 -21.807 4.156 777 H HIS 99 H HIS 99 -3.246 -25.010 6.622 778 HA HIS 99 HA HIS 99 -1.216 -26.728 7.568 779 HD1 HIS 99 HD1 HIS 99 -5.396 -25.944 7.345 780 HD2 HIS 99 HD2 HIS 99 -4.006 -28.293 4.211 781 HE1 HIS 99 HE1 HIS 99 -7.118 -25.740 5.532 782 HE2 HIS 99 HE2 HIS 99 -6.288 -27.209 3.670 783 HB2 HIS 99 2HB HIS 99 -2.832 -28.559 6.801 784 HB3 HIS 99 1HB HIS 99 -3.421 -27.410 7.994 785 H HIS 100 H HIS 100 -2.500 -26.373 4.240 786 HA HIS 100 HA HIS 100 -0.154 -27.105 2.911 787 HD1 HIS 100 HD1 HIS 100 1.540 -29.714 2.410 788 HD2 HIS 100 HD2 HIS 100 -2.170 -30.185 0.593 789 HE1 HIS 100 HE1 HIS 100 1.988 -30.921 0.259 790 HE2 HIS 100 HE2 HIS 100 -0.282 -31.363 -0.717 791 HB2 HIS 100 2HB HIS 100 -0.480 -29.302 3.983 792 HB3 HIS 100 1HB HIS 100 -2.089 -29.415 3.286 793 H HIS 101 H HIS 101 -0.781 -25.548 1.423 794 HA HIS 101 HA HIS 101 -3.285 -25.342 0.196 795 HD1 HIS 101 HD1 HIS 101 -0.188 -22.241 0.583 796 HD2 HIS 101 HD2 HIS 101 -4.222 -23.007 -0.047 797 HE1 HIS 101 HE1 HIS 101 -1.406 -20.278 1.565 798 HE2 HIS 101 HE2 HIS 101 -3.845 -20.747 1.145 799 HB2 HIS 101 2HB HIS 101 -0.544 -24.400 -0.570 800 HB3 HIS 101 1HB HIS 101 -1.872 -24.224 -1.713 801 H HIS 102 H HIS 102 -4.024 -25.879 -1.874 802 HA HIS 102 HA HIS 102 -2.762 -28.231 -3.126 803 HD1 HIS 102 HD1 HIS 102 -7.227 -27.904 -3.901 804 HD2 HIS 102 HD2 HIS 102 -5.731 -27.150 -0.098 805 HE1 HIS 102 HE1 HIS 102 -8.994 -26.563 -2.738 806 HE2 HIS 102 HE2 HIS 102 -8.016 -26.016 -0.490 807 HB2 HIS 102 2HB HIS 102 -5.085 -29.190 -3.399 808 HB3 HIS 102 1HB HIS 102 -4.492 -29.148 -1.742 809 H HIS 103 H HIS 103 -3.146 -28.495 -5.350 810 HA HIS 103 HA HIS 103 -3.641 -26.054 -6.798 811 HD1 HIS 103 HD1 HIS 103 -1.061 -29.773 -7.130 812 HD2 HIS 103 HD2 HIS 103 -0.891 -25.647 -7.582 813 HE1 HIS 103 HE1 HIS 103 1.309 -29.140 -6.612 814 HE2 HIS 103 HE2 HIS 103 1.342 -26.627 -6.720 815 HB2 HIS 103 2HB HIS 103 -3.222 -28.854 -7.878 816 HB3 HIS 103 1HB HIS 103 -3.082 -27.352 -8.785 817 H HIS 104 H HIS 104 -5.286 -29.176 -6.459 818 HA HIS 104 HA HIS 104 -7.788 -27.909 -7.383 819 HD1 HIS 104 HD1 HIS 104 -9.064 -31.720 -7.059 820 HD2 HIS 104 HD2 HIS 104 -9.528 -29.111 -10.265 821 HE1 HIS 104 HE1 HIS 104 -11.382 -32.126 -7.929 822 HE2 HIS 104 HE2 HIS 104 -11.579 -30.662 -9.962 823 HB2 HIS 104 2HB HIS 104 -7.004 -29.357 -9.177 824 HB3 HIS 104 1HB HIS 104 -6.805 -30.698 -8.054 Start of MODEL 6 1 HA MET 1 HA MET 1 -6.136 -10.014 2.374 2 H1 MET 1 1H MET 1 -8.374 -9.130 2.466 3 H2 MET 1 2H MET 1 -7.777 -7.583 2.790 4 H3 MET 1 3H MET 1 -7.538 -8.832 3.907 5 HB2 MET 1 2HB MET 1 -7.213 -9.259 0.307 6 HB3 MET 1 1HB MET 1 -6.613 -7.628 0.571 7 HG2 MET 1 2HG MET 1 -4.323 -8.403 0.319 8 HG3 MET 1 1HG MET 1 -4.890 -10.060 0.126 9 HE1 MET 1 3HE MET 1 -5.777 -6.694 -2.912 10 HE2 MET 1 1HE MET 1 -4.859 -6.449 -1.427 11 HE3 MET 1 2HE MET 1 -6.582 -6.814 -1.347 12 H ALA 2 H ALA 2 -4.336 -9.856 3.581 13 HA ALA 2 HA ALA 2 -3.013 -7.223 3.795 14 HB1 ALA 2 3HB ALA 2 -4.157 -7.713 5.904 15 HB2 ALA 2 1HB ALA 2 -2.405 -7.706 6.107 16 HB3 ALA 2 2HB ALA 2 -3.278 -9.237 6.032 17 H LYS 3 H LYS 3 -1.401 -7.615 2.325 18 HA LYS 3 HA LYS 3 0.503 -9.780 2.979 19 HB2 LYS 3 2HB LYS 3 -0.530 -8.814 0.459 20 HB3 LYS 3 1HB LYS 3 1.207 -8.574 0.497 21 HG2 LYS 3 2HG LYS 3 1.330 -10.680 -0.245 22 HG3 LYS 3 1HG LYS 3 0.991 -11.142 1.419 23 HD2 LYS 3 2HD LYS 3 -1.086 -10.774 -0.747 24 HD3 LYS 3 1HD LYS 3 -0.434 -12.324 -0.220 25 HE2 LYS 3 2HE LYS 3 -1.325 -11.914 2.036 26 HE3 LYS 3 1HE LYS 3 -2.001 -10.382 1.479 27 HZ1 LYS 3 3HZ LYS 3 -3.697 -12.049 1.448 28 HZ2 LYS 3 1HZ LYS 3 -2.738 -13.092 0.526 29 HZ3 LYS 3 2HZ LYS 3 -3.314 -11.656 -0.149 30 H ALA 4 H ALA 4 0.086 -6.836 3.963 31 HA ALA 4 HA ALA 4 2.881 -5.946 3.582 32 HB1 ALA 4 3HB ALA 4 0.445 -4.192 3.941 33 HB2 ALA 4 1HB ALA 4 1.284 -4.488 2.417 34 HB3 ALA 4 2HB ALA 4 2.108 -3.641 3.726 35 H GLN 5 H GLN 5 3.640 -4.457 5.341 36 HA GLN 5 HA GLN 5 4.128 -3.957 7.495 37 HB2 GLN 5 2HB GLN 5 1.315 -4.945 8.002 38 HB3 GLN 5 1HB GLN 5 2.340 -4.259 9.256 39 HG2 GLN 5 2HG GLN 5 1.439 -2.838 6.751 40 HG3 GLN 5 1HG GLN 5 0.754 -2.623 8.362 41 HE21 GLN 5 1HE2 GLN 5 1.996 -1.575 9.947 42 HE22 GLN 5 2HE2 GLN 5 3.329 -0.560 9.523 43 HA PRO 6 HA PRO 6 5.789 -7.729 9.201 44 HB2 PRO 6 2HB PRO 6 6.154 -6.344 11.768 45 HB3 PRO 6 1HB PRO 6 7.373 -6.940 10.640 46 HG2 PRO 6 2HG PRO 6 6.929 -4.303 11.003 47 HG3 PRO 6 1HG PRO 6 7.412 -4.972 9.433 48 HD2 PRO 6 2HD PRO 6 4.678 -4.167 10.386 49 HD3 PRO 6 1HD PRO 6 5.458 -3.862 8.817 50 H ILE 7 H ILE 7 5.602 -9.095 11.289 51 HA ILE 7 HA ILE 7 2.829 -9.603 11.772 52 HB ILE 7 HB ILE 7 5.285 -10.798 13.097 53 HG12 ILE 7 2HG1 ILE 7 4.633 -12.825 11.726 54 HG13 ILE 7 1HG1 ILE 7 3.465 -11.811 10.888 55 HG21 ILE 7 1HG2 ILE 7 3.353 -10.945 14.589 56 HG22 ILE 7 2HG2 ILE 7 3.798 -12.536 13.972 57 HG23 ILE 7 3HG2 ILE 7 2.403 -11.691 13.300 58 HD11 ILE 7 3HD1 ILE 7 5.511 -12.112 9.600 59 HD12 ILE 7 1HD1 ILE 7 6.451 -11.399 10.912 60 HD13 ILE 7 2HD1 ILE 7 5.273 -10.421 10.036 61 H GLU 8 H GLU 8 2.035 -7.670 12.695 62 HA GLU 8 HA GLU 8 3.084 -6.812 15.275 63 HB2 GLU 8 2HB GLU 8 2.330 -5.144 13.582 64 HB3 GLU 8 1HB GLU 8 0.687 -5.753 13.750 65 HG2 GLU 8 2HG GLU 8 0.812 -5.162 16.187 66 HG3 GLU 8 1HG GLU 8 2.351 -4.372 15.850 67 H ILE 9 H ILE 9 2.295 -7.382 17.200 68 HA ILE 9 HA ILE 9 -0.480 -8.350 17.417 69 HB ILE 9 HB ILE 9 1.853 -9.713 18.794 70 HG12 ILE 9 2HG1 ILE 9 0.173 -10.701 16.464 71 HG13 ILE 9 1HG1 ILE 9 1.852 -10.184 16.359 72 HG21 ILE 9 1HG2 ILE 9 0.182 -11.374 19.462 73 HG22 ILE 9 2HG2 ILE 9 -1.078 -10.434 18.663 74 HG23 ILE 9 3HG2 ILE 9 -0.234 -9.769 20.062 75 HD11 ILE 9 3HD1 ILE 9 0.824 -12.549 17.916 76 HD12 ILE 9 1HD1 ILE 9 2.509 -12.032 17.814 77 HD13 ILE 9 2HD1 ILE 9 1.671 -12.598 16.369 78 H ALA 10 H ALA 10 -1.464 -6.946 18.762 79 HA ALA 10 HA ALA 10 -1.940 -5.625 20.555 80 HB1 ALA 10 3HB ALA 10 -1.453 -7.678 21.817 81 HB2 ALA 10 1HB ALA 10 -1.008 -6.230 22.723 82 HB3 ALA 10 2HB ALA 10 0.240 -7.198 21.936 83 H GLY 11 H GLY 11 0.165 -4.805 18.620 84 HA2 GLY 11 2HA GLY 11 1.210 -2.687 18.459 85 HA3 GLY 11 1HA GLY 11 1.333 -2.632 20.210 86 H HIS 12 H HIS 12 2.382 -5.600 19.742 87 HA HIS 12 HA HIS 12 5.184 -4.843 19.751 88 HD1 HIS 12 HD1 HIS 12 6.264 -6.574 22.561 89 HD2 HIS 12 HD2 HIS 12 2.159 -6.327 21.974 90 HE1 HIS 12 HE1 HIS 12 5.290 -6.126 24.827 91 HE2 HIS 12 HE2 HIS 12 2.834 -5.772 24.409 92 HB2 HIS 12 2HB HIS 12 3.894 -7.580 19.976 93 HB3 HIS 12 1HB HIS 12 5.599 -7.229 20.239 94 H GLU 13 H GLU 13 6.360 -4.693 17.943 95 HA GLU 13 HA GLU 13 5.312 -5.811 15.459 96 HB2 GLU 13 2HB GLU 13 7.004 -4.377 14.357 97 HB3 GLU 13 1HB GLU 13 5.929 -3.472 15.414 98 HG2 GLU 13 2HG GLU 13 7.659 -3.437 17.147 99 HG3 GLU 13 1HG GLU 13 8.741 -4.334 16.084 100 H PHE 14 H PHE 14 5.993 -7.701 14.701 101 HA PHE 14 HA PHE 14 8.786 -8.521 15.216 102 HD1 PHE 14 HD1 PHE 14 9.020 -10.598 17.178 103 HD2 PHE 14 HD2 PHE 14 4.928 -9.743 16.349 104 HE1 PHE 14 HE1 PHE 14 8.507 -10.721 19.580 105 HE2 PHE 14 HE2 PHE 14 4.414 -9.864 18.749 106 HZ PHE 14 HZ PHE 14 6.202 -10.354 20.369 107 HB2 PHE 14 2HB PHE 14 6.416 -10.298 14.572 108 HB3 PHE 14 1HB PHE 14 8.060 -10.841 14.895 109 H ALA 15 H ALA 15 10.029 -8.092 13.509 110 HA ALA 15 HA ALA 15 9.041 -7.613 10.891 111 HB1 ALA 15 3HB ALA 15 11.884 -8.078 11.792 112 HB2 ALA 15 1HB ALA 15 11.047 -6.526 11.755 113 HB3 ALA 15 2HB ALA 15 11.386 -7.380 10.250 114 H ARG 16 H ARG 16 9.440 -10.531 12.404 115 HA ARG 16 HA ARG 16 9.278 -11.983 9.901 116 HE ARG 16 HE ARG 16 12.816 -13.512 8.507 117 HB2 ARG 16 2HB ARG 16 11.672 -11.957 10.183 118 HB3 ARG 16 1HB ARG 16 11.534 -12.424 11.873 119 HG2 ARG 16 2HG ARG 16 10.728 -14.618 11.235 120 HG3 ARG 16 1HG ARG 16 10.742 -14.154 9.533 121 HD2 ARG 16 2HD ARG 16 13.191 -14.179 11.295 122 HD3 ARG 16 1HD ARG 16 12.705 -15.529 10.268 123 HH11 ARG 16 1HH1 ARG 16 15.032 -14.475 10.963 124 HH12 ARG 16 2HH1 ARG 16 16.424 -14.013 10.041 125 HH21 ARG 16 1HH2 ARG 16 14.610 -12.941 7.319 126 HH22 ARG 16 2HH2 ARG 16 16.186 -13.140 8.007 127 H LYS 17 H LYS 17 8.084 -13.855 10.088 128 HA LYS 17 HA LYS 17 6.386 -14.168 12.295 129 HB2 LYS 17 2HB LYS 17 5.759 -14.943 10.085 130 HB3 LYS 17 1HB LYS 17 7.068 -16.113 10.078 131 HG2 LYS 17 2HG LYS 17 5.094 -16.338 12.280 132 HG3 LYS 17 1HG LYS 17 4.526 -16.741 10.662 133 HD2 LYS 17 2HD LYS 17 6.941 -17.952 12.025 134 HD3 LYS 17 1HD LYS 17 5.356 -18.715 11.887 135 HE2 LYS 17 2HE LYS 17 5.580 -18.615 9.415 136 HE3 LYS 17 1HE LYS 17 7.207 -17.968 9.618 137 HZ1 LYS 17 3HZ LYS 17 6.294 -20.604 10.633 138 HZ2 LYS 17 1HZ LYS 17 7.871 -19.995 10.706 139 HZ3 LYS 17 2HZ LYS 17 7.174 -20.374 9.211 140 H ALA 18 H ALA 18 9.300 -16.013 11.425 141 HA ALA 18 HA ALA 18 9.308 -17.865 13.501 142 HB1 ALA 18 3HB ALA 18 11.698 -16.541 12.217 143 HB2 ALA 18 1HB ALA 18 10.841 -17.953 11.598 144 HB3 ALA 18 2HB ALA 18 11.714 -18.053 13.128 145 H ASP 19 H ASP 19 10.263 -14.477 13.550 146 HA ASP 19 HA ASP 19 11.556 -14.487 16.080 147 HB2 ASP 19 2HB ASP 19 11.641 -12.687 14.233 148 HB3 ASP 19 1HB ASP 19 10.107 -12.117 14.877 149 H ALA 20 H ALA 20 8.233 -13.762 15.048 150 HA ALA 20 HA ALA 20 7.138 -13.156 17.564 151 HB1 ALA 20 3HB ALA 20 5.759 -14.386 15.173 152 HB2 ALA 20 1HB ALA 20 5.997 -12.662 15.457 153 HB3 ALA 20 2HB ALA 20 4.964 -13.598 16.537 154 H LEU 21 H LEU 21 7.291 -16.271 15.824 155 HA LEU 21 HA LEU 21 5.969 -17.823 17.762 156 HG LEU 21 HG LEU 21 6.295 -17.913 14.500 157 HB2 LEU 21 2HB LEU 21 8.131 -18.673 15.827 158 HB3 LEU 21 1HB LEU 21 7.107 -19.770 16.735 159 HD11 LEU 21 1HD1 LEU 21 6.135 -20.911 14.829 160 HD12 LEU 21 2HD1 LEU 21 7.264 -20.031 13.799 161 HD13 LEU 21 3HD1 LEU 21 5.538 -19.994 13.445 162 HD21 LEU 21 3HD2 LEU 21 4.600 -17.775 16.247 163 HD22 LEU 21 1HD2 LEU 21 4.498 -19.535 16.307 164 HD23 LEU 21 2HD2 LEU 21 3.993 -18.670 14.856 165 H ALA 22 H ALA 22 9.423 -17.096 17.342 166 HA ALA 22 HA ALA 22 10.431 -18.627 19.460 167 HB1 ALA 22 3HB ALA 22 11.850 -17.576 17.746 168 HB2 ALA 22 1HB ALA 22 12.388 -17.172 19.378 169 HB3 ALA 22 2HB ALA 22 11.490 -15.989 18.427 170 H PHE 23 H PHE 23 9.345 -15.231 19.428 171 HA PHE 23 HA PHE 23 9.865 -14.600 22.102 172 HD1 PHE 23 HD1 PHE 23 9.982 -11.807 22.595 173 HD2 PHE 23 HD2 PHE 23 5.947 -12.922 21.784 174 HE1 PHE 23 HE1 PHE 23 9.205 -10.296 24.375 175 HE2 PHE 23 HE2 PHE 23 5.170 -11.412 23.562 176 HZ PHE 23 HZ PHE 23 6.799 -10.097 24.859 177 HB2 PHE 23 2HB PHE 23 9.298 -12.898 20.442 178 HB3 PHE 23 1HB PHE 23 7.674 -13.555 20.284 179 H MET 24 H MET 24 6.784 -15.709 20.661 180 HA MET 24 HA MET 24 5.366 -15.891 23.086 181 HB2 MET 24 2HB MET 24 4.947 -17.305 20.446 182 HB3 MET 24 1HB MET 24 3.817 -17.403 21.791 183 HG2 MET 24 2HG MET 24 3.594 -14.929 21.710 184 HG3 MET 24 1HG MET 24 4.600 -14.928 20.263 185 HE1 MET 24 3HE MET 24 3.816 -15.715 17.901 186 HE2 MET 24 1HE MET 24 2.369 -16.683 17.623 187 HE3 MET 24 2HE MET 24 3.710 -17.348 18.557 188 H LYS 25 H LYS 25 7.390 -18.236 21.395 189 HA LYS 25 HA LYS 25 6.826 -20.487 22.994 190 HB2 LYS 25 2HB LYS 25 8.043 -20.499 20.798 191 HB3 LYS 25 1HB LYS 25 9.438 -19.808 21.609 192 HG2 LYS 25 2HG LYS 25 8.253 -22.425 22.497 193 HG3 LYS 25 1HG LYS 25 9.394 -22.340 21.157 194 HD2 LYS 25 2HD LYS 25 9.917 -21.397 23.987 195 HD3 LYS 25 1HD LYS 25 10.521 -22.889 23.267 196 HE2 LYS 25 2HE LYS 25 11.180 -20.081 22.361 197 HE3 LYS 25 1HE LYS 25 12.242 -21.158 23.266 198 HZ1 LYS 25 3HZ LYS 25 12.833 -21.230 20.966 199 HZ2 LYS 25 1HZ LYS 25 11.243 -21.571 20.501 200 HZ3 LYS 25 2HZ LYS 25 12.130 -22.713 21.371 201 H VAL 26 H VAL 26 9.391 -18.015 23.266 202 HA VAL 26 HA VAL 26 10.683 -19.032 25.524 203 HB VAL 26 HB VAL 26 10.419 -16.149 24.627 204 HG11 VAL 26 1HG1 VAL 26 10.996 -16.191 26.988 205 HG12 VAL 26 2HG1 VAL 26 12.408 -15.725 26.039 206 HG13 VAL 26 3HG1 VAL 26 12.278 -17.362 26.682 207 HG21 VAL 26 3HG2 VAL 26 11.520 -17.626 23.004 208 HG22 VAL 26 1HG2 VAL 26 12.644 -18.164 24.251 209 HG23 VAL 26 2HG2 VAL 26 12.667 -16.486 23.707 210 H MET 27 H MET 27 8.190 -16.422 25.452 211 HA MET 27 HA MET 27 7.985 -16.160 28.233 212 HB2 MET 27 2HB MET 27 5.937 -14.954 27.877 213 HB3 MET 27 1HB MET 27 7.046 -14.545 26.579 214 HG2 MET 27 2HG MET 27 5.849 -16.112 25.099 215 HG3 MET 27 1HG MET 27 4.706 -16.436 26.403 216 HE1 MET 27 3HE MET 27 3.487 -15.637 23.735 217 HE2 MET 27 1HE MET 27 2.402 -14.307 24.146 218 HE3 MET 27 2HE MET 27 2.512 -15.713 25.202 219 H LEU 28 H LEU 28 6.256 -18.318 26.028 220 HA LEU 28 HA LEU 28 4.451 -19.512 27.791 221 HG LEU 28 HG LEU 28 4.961 -22.543 26.647 222 HB2 LEU 28 2HB LEU 28 4.389 -19.853 25.388 223 HB3 LEU 28 1HB LEU 28 5.944 -20.657 25.425 224 HD11 LEU 28 1HD1 LEU 28 2.355 -21.043 26.374 225 HD12 LEU 28 2HD1 LEU 28 3.214 -21.379 27.878 226 HD13 LEU 28 3HD1 LEU 28 2.530 -22.705 26.937 227 HD21 LEU 28 3HD2 LEU 28 3.461 -21.784 24.138 228 HD22 LEU 28 1HD2 LEU 28 3.564 -23.408 24.820 229 HD23 LEU 28 2HD2 LEU 28 5.017 -22.612 24.218 230 H ASN 29 H ASN 29 7.850 -20.267 27.148 231 HA ASN 29 HA ASN 29 7.889 -22.557 28.905 232 HB2 ASN 29 2HB ASN 29 10.059 -21.107 27.377 233 HB3 ASN 29 1HB ASN 29 10.380 -22.494 28.414 234 HD21 ASN 29 1HD2 ASN 29 7.460 -22.217 26.504 235 HD22 ASN 29 2HD2 ASN 29 7.850 -23.479 25.399 236 H ARG 30 H ARG 30 7.634 -19.437 29.719 237 HA ARG 30 HA ARG 30 9.348 -19.713 32.105 238 HE ARG 30 HE ARG 30 12.551 -17.029 29.865 239 HB2 ARG 30 2HB ARG 30 8.118 -17.349 30.737 240 HB3 ARG 30 1HB ARG 30 8.403 -17.257 32.470 241 HG2 ARG 30 2HG ARG 30 10.257 -16.300 31.187 242 HG3 ARG 30 1HG ARG 30 10.770 -17.692 32.142 243 HD2 ARG 30 2HD ARG 30 10.442 -19.080 30.045 244 HD3 ARG 30 1HD ARG 30 10.262 -17.559 29.177 245 HH11 ARG 30 1HH1 ARG 30 11.533 -20.309 30.095 246 HH12 ARG 30 2HH1 ARG 30 13.133 -20.935 29.916 247 HH21 ARG 30 1HH2 ARG 30 14.610 -17.846 29.632 248 HH22 ARG 30 2HH2 ARG 30 14.853 -19.560 29.647 249 H TYR 31 H TYR 31 6.213 -20.282 31.097 250 HA TYR 31 HA TYR 31 5.185 -20.179 33.864 251 HD1 TYR 31 HD1 TYR 31 2.924 -18.277 34.056 252 HD2 TYR 31 HD2 TYR 31 4.318 -18.649 30.052 253 HE1 TYR 31 HE1 TYR 31 2.713 -15.844 33.762 254 HE2 TYR 31 HE2 TYR 31 4.109 -16.221 29.747 255 HH TYR 31 HH TYR 31 3.140 -14.336 30.627 256 HB2 TYR 31 2HB TYR 31 3.650 -20.594 31.278 257 HB3 TYR 31 1HB TYR 31 2.950 -20.468 32.886 258 H ARG 32 H ARG 32 4.063 -22.079 34.674 259 HA ARG 32 HA ARG 32 5.256 -24.568 33.768 260 HE ARG 32 HE ARG 32 3.434 -22.815 37.611 261 HB2 ARG 32 2HB ARG 32 3.294 -24.034 36.013 262 HB3 ARG 32 1HB ARG 32 4.063 -25.579 35.695 263 HG2 ARG 32 2HG ARG 32 5.279 -24.652 37.464 264 HG3 ARG 32 1HG ARG 32 6.282 -24.380 36.040 265 HD2 ARG 32 2HD ARG 32 6.237 -22.405 37.470 266 HD3 ARG 32 1HD ARG 32 5.481 -22.071 35.912 267 HH11 ARG 32 1HH1 ARG 32 5.796 -20.308 37.468 268 HH12 ARG 32 2HH1 ARG 32 4.804 -19.180 38.325 269 HH21 ARG 32 1HH2 ARG 32 2.170 -21.343 38.725 270 HH22 ARG 32 2HH2 ARG 32 2.788 -19.755 39.027 271 HA PRO 33 HA PRO 33 2.057 -25.911 31.093 272 HB2 PRO 33 2HB PRO 33 1.840 -28.583 31.582 273 HB3 PRO 33 1HB PRO 33 3.232 -27.856 30.771 274 HG2 PRO 33 2HG PRO 33 2.923 -28.640 33.655 275 HG3 PRO 33 1HG PRO 33 4.284 -28.941 32.556 276 HD2 PRO 33 2HD PRO 33 4.336 -26.937 34.351 277 HD3 PRO 33 1HD PRO 33 5.090 -26.775 32.751 278 H GLY 34 H GLY 34 1.079 -25.098 33.930 279 HA2 GLY 34 2HA GLY 34 -1.673 -25.700 33.390 280 HA3 GLY 34 1HA GLY 34 -1.074 -26.568 34.793 281 H ASP 35 H ASP 35 -0.027 -23.313 33.901 282 HA ASP 35 HA ASP 35 -1.474 -22.275 36.258 283 HB2 ASP 35 2HB ASP 35 1.349 -21.722 35.366 284 HB3 ASP 35 1HB ASP 35 0.491 -20.649 36.469 285 H ILE 36 H ILE 36 -1.473 -19.795 36.258 286 HA ILE 36 HA ILE 36 -3.050 -18.992 34.011 287 HB ILE 36 HB ILE 36 -2.065 -17.322 36.341 288 HG12 ILE 36 2HG1 ILE 36 -3.342 -19.294 37.090 289 HG13 ILE 36 1HG1 ILE 36 -4.224 -17.801 37.392 290 HG21 ILE 36 1HG2 ILE 36 -2.840 -15.934 34.508 291 HG22 ILE 36 2HG2 ILE 36 -4.004 -15.881 35.830 292 HG23 ILE 36 3HG2 ILE 36 -4.337 -16.859 34.401 293 HD11 ILE 36 3HD1 ILE 36 -5.714 -19.509 36.586 294 HD12 ILE 36 1HD1 ILE 36 -4.718 -19.747 35.152 295 HD13 ILE 36 2HD1 ILE 36 -5.578 -18.225 35.386 296 H VAL 37 H VAL 37 -2.573 -17.649 32.346 297 HA VAL 37 HA VAL 37 0.156 -16.759 31.911 298 HB VAL 37 HB VAL 37 -2.352 -16.300 30.261 299 HG11 VAL 37 1HG1 VAL 37 -0.829 -15.740 28.426 300 HG12 VAL 37 2HG1 VAL 37 0.550 -15.901 29.515 301 HG13 VAL 37 3HG1 VAL 37 -0.640 -14.626 29.781 302 HG21 VAL 37 3HG2 VAL 37 -1.809 -18.671 30.455 303 HG22 VAL 37 1HG2 VAL 37 -0.151 -18.349 29.940 304 HG23 VAL 37 2HG2 VAL 37 -1.489 -18.094 28.819 305 H SER 38 H SER 38 0.766 -14.500 31.629 306 HA SER 38 HA SER 38 -0.295 -12.859 33.706 307 HG SER 38 HG SER 38 2.544 -11.830 31.000 308 HB2 SER 38 2HB SER 38 1.403 -11.292 33.175 309 HB3 SER 38 1HB SER 38 2.112 -12.868 32.823 310 H THR 39 H THR 39 -0.752 -10.455 33.267 311 HA THR 39 HA THR 39 -3.179 -10.227 31.831 312 HB THR 39 HB THR 39 -1.374 -8.024 32.882 313 HG1 THR 39 HG1 THR 39 -2.209 -9.509 34.484 314 HG21 THR 39 3HG2 THR 39 -2.936 -7.147 31.217 315 HG22 THR 39 1HG2 THR 39 -3.397 -6.616 32.833 316 HG23 THR 39 2HG2 THR 39 -4.283 -7.923 32.050 317 H VAL 40 H VAL 40 0.080 -8.972 31.127 318 HA VAL 40 HA VAL 40 -0.601 -7.706 28.680 319 HB VAL 40 HB VAL 40 2.110 -8.718 29.577 320 HG11 VAL 40 1HG1 VAL 40 1.392 -6.643 27.497 321 HG12 VAL 40 2HG1 VAL 40 2.030 -8.255 27.174 322 HG13 VAL 40 3HG1 VAL 40 3.025 -7.064 28.013 323 HG21 VAL 40 3HG2 VAL 40 0.828 -6.000 29.937 324 HG22 VAL 40 1HG2 VAL 40 2.488 -6.418 30.364 325 HG23 VAL 40 2HG2 VAL 40 1.141 -7.181 31.210 326 H ASP 41 H ASP 41 1.092 -10.807 29.296 327 HA ASP 41 HA ASP 41 1.290 -11.717 26.682 328 HB2 ASP 41 2HB ASP 41 0.807 -13.336 29.198 329 HB3 ASP 41 1HB ASP 41 1.338 -14.007 27.661 330 H GLY 42 H GLY 42 -1.439 -12.033 28.943 331 HA2 GLY 42 2HA GLY 42 -3.137 -13.626 27.385 332 HA3 GLY 42 1HA GLY 42 -3.667 -12.464 28.592 333 H ALA 43 H ALA 43 -3.119 -10.048 27.621 334 HA ALA 43 HA ALA 43 -5.013 -9.557 25.607 335 HB1 ALA 43 3HB ALA 43 -2.695 -7.804 26.447 336 HB2 ALA 43 1HB ALA 43 -4.285 -7.851 27.207 337 HB3 ALA 43 2HB ALA 43 -4.119 -7.277 25.548 338 H PHE 44 H PHE 44 -1.535 -10.049 25.423 339 HA PHE 44 HA PHE 44 -1.064 -9.440 22.734 340 HD1 PHE 44 HD1 PHE 44 0.764 -12.999 22.477 341 HD2 PHE 44 HD2 PHE 44 2.049 -8.944 22.745 342 HE1 PHE 44 HE1 PHE 44 2.415 -13.405 20.701 343 HE2 PHE 44 HE2 PHE 44 3.698 -9.348 20.966 344 HZ PHE 44 HZ PHE 44 3.883 -11.581 19.943 345 HB2 PHE 44 2HB PHE 44 0.678 -9.897 24.453 346 HB3 PHE 44 1HB PHE 44 0.229 -11.594 24.435 347 H LEU 45 H LEU 45 -1.872 -12.576 24.221 348 HA LEU 45 HA LEU 45 -2.006 -14.099 21.878 349 HG LEU 45 HG LEU 45 -0.957 -14.575 24.644 350 HB2 LEU 45 2HB LEU 45 -3.466 -14.438 24.501 351 HB3 LEU 45 1HB LEU 45 -3.410 -15.659 23.240 352 HD11 LEU 45 1HD1 LEU 45 -2.398 -15.756 26.227 353 HD12 LEU 45 2HD1 LEU 45 -0.925 -16.665 25.893 354 HD13 LEU 45 3HD1 LEU 45 -2.448 -17.151 25.148 355 HD21 LEU 45 3HD2 LEU 45 -1.351 -16.957 22.824 356 HD22 LEU 45 1HD2 LEU 45 0.149 -16.529 23.650 357 HD23 LEU 45 2HD2 LEU 45 -0.512 -15.459 22.414 358 H VAL 46 H VAL 46 -4.483 -12.092 23.421 359 HA VAL 46 HA VAL 46 -6.730 -12.916 21.975 360 HB VAL 46 HB VAL 46 -6.085 -10.123 22.961 361 HG11 VAL 46 1HG1 VAL 46 -8.744 -11.321 22.159 362 HG12 VAL 46 2HG1 VAL 46 -7.864 -10.062 21.293 363 HG13 VAL 46 3HG1 VAL 46 -8.514 -9.735 22.897 364 HG21 VAL 46 3HG2 VAL 46 -7.485 -10.739 24.898 365 HG22 VAL 46 1HG2 VAL 46 -6.054 -11.761 24.760 366 HG23 VAL 46 2HG2 VAL 46 -7.629 -12.376 24.258 367 H GLU 47 H GLU 47 -4.464 -10.254 21.182 368 HA GLU 47 HA GLU 47 -5.647 -9.588 18.712 369 HB2 GLU 47 2HB GLU 47 -2.808 -9.212 19.689 370 HB3 GLU 47 1HB GLU 47 -3.430 -8.516 18.198 371 HG2 GLU 47 2HG GLU 47 -4.493 -7.948 20.965 372 HG3 GLU 47 1HG GLU 47 -3.400 -6.909 20.054 373 H ALA 48 H ALA 48 -2.999 -11.846 19.487 374 HA ALA 48 HA ALA 48 -2.390 -12.636 16.850 375 HB1 ALA 48 3HB ALA 48 -1.392 -14.632 17.858 376 HB2 ALA 48 1HB ALA 48 -2.201 -14.277 19.385 377 HB3 ALA 48 2HB ALA 48 -0.963 -13.182 18.766 378 H LEU 49 H LEU 49 -4.885 -13.708 19.089 379 HA LEU 49 HA LEU 49 -5.852 -15.906 17.579 380 HG LEU 49 HG LEU 49 -8.924 -15.330 18.339 381 HB2 LEU 49 2HB LEU 49 -6.373 -15.694 19.925 382 HB3 LEU 49 1HB LEU 49 -7.170 -14.154 19.658 383 HD11 LEU 49 1HD1 LEU 49 -9.092 -17.765 18.475 384 HD12 LEU 49 2HD1 LEU 49 -7.524 -17.834 19.278 385 HD13 LEU 49 3HD1 LEU 49 -7.638 -17.265 17.612 386 HD21 LEU 49 3HD2 LEU 49 -10.015 -16.400 20.285 387 HD22 LEU 49 1HD2 LEU 49 -9.332 -14.817 20.662 388 HD23 LEU 49 2HD2 LEU 49 -8.493 -16.283 21.170 389 H LYS 50 H LYS 50 -6.665 -12.465 17.591 390 HA LYS 50 HA LYS 50 -9.039 -12.561 16.110 391 HB2 LYS 50 2HB LYS 50 -6.953 -10.388 16.316 392 HB3 LYS 50 1HB LYS 50 -8.513 -10.169 15.530 393 HG2 LYS 50 2HG LYS 50 -9.645 -10.683 17.647 394 HG3 LYS 50 1HG LYS 50 -8.076 -10.871 18.433 395 HD2 LYS 50 2HD LYS 50 -7.534 -8.544 17.960 396 HD3 LYS 50 1HD LYS 50 -9.062 -8.343 17.098 397 HE2 LYS 50 2HE LYS 50 -10.280 -8.822 19.181 398 HE3 LYS 50 1HE LYS 50 -8.743 -8.986 20.032 399 HZ1 LYS 50 3HZ LYS 50 -9.708 -6.529 18.674 400 HZ2 LYS 50 1HZ LYS 50 -8.246 -6.688 19.515 401 HZ3 LYS 50 2HZ LYS 50 -9.716 -6.799 20.347 402 H ARG 51 H ARG 51 -5.860 -13.174 14.999 403 HA ARG 51 HA ARG 51 -6.506 -12.588 12.211 404 HE ARG 51 HE ARG 51 -1.902 -13.441 12.898 405 HB2 ARG 51 2HB ARG 51 -4.012 -13.900 13.312 406 HB3 ARG 51 1HB ARG 51 -4.224 -13.197 11.712 407 HG2 ARG 51 2HG ARG 51 -4.655 -10.985 12.921 408 HG3 ARG 51 1HG ARG 51 -4.021 -11.783 14.361 409 HD2 ARG 51 2HD ARG 51 -2.583 -11.287 11.753 410 HD3 ARG 51 1HD ARG 51 -2.244 -10.546 13.314 411 HH11 ARG 51 1HH1 ARG 51 -0.647 -10.377 13.877 412 HH12 ARG 51 2HH1 ARG 51 0.875 -11.032 14.354 413 HH21 ARG 51 1HH2 ARG 51 0.075 -14.272 13.479 414 HH22 ARG 51 2HH2 ARG 51 1.287 -13.218 14.117 415 H HIS 52 H HIS 52 -7.649 -14.827 14.061 416 HA HIS 52 HA HIS 52 -7.281 -17.119 12.251 417 HD1 HIS 52 HD1 HIS 52 -7.393 -20.147 14.831 418 HD2 HIS 52 HD2 HIS 52 -5.113 -16.671 14.686 419 HE1 HIS 52 HE1 HIS 52 -5.063 -20.844 15.457 420 HE2 HIS 52 HE2 HIS 52 -3.676 -18.770 15.177 421 HB2 HIS 52 2HB HIS 52 -8.252 -16.838 15.080 422 HB3 HIS 52 1HB HIS 52 -8.738 -18.235 14.133 423 HA PRO 53 HA PRO 53 -11.483 -16.472 10.637 424 HB2 PRO 53 2HB PRO 53 -11.760 -18.960 9.522 425 HB3 PRO 53 1HB PRO 53 -10.891 -17.635 8.740 426 HG2 PRO 53 2HG PRO 53 -9.801 -19.938 10.325 427 HG3 PRO 53 1HG PRO 53 -9.207 -19.247 8.803 428 HD2 PRO 53 2HD PRO 53 -8.052 -18.669 11.174 429 HD3 PRO 53 1HD PRO 53 -8.163 -17.468 9.870 430 H ASP 54 H ASP 54 -10.323 -18.999 12.719 431 HA ASP 54 HA ASP 54 -12.980 -19.844 13.546 432 HB2 ASP 54 2HB ASP 54 -11.663 -21.379 15.072 433 HB3 ASP 54 1HB ASP 54 -11.391 -21.609 13.349 434 H ALA 55 H ALA 55 -11.116 -17.228 14.309 435 HA ALA 55 HA ALA 55 -10.928 -17.164 17.090 436 HB1 ALA 55 3HB ALA 55 -9.825 -15.547 15.604 437 HB2 ALA 55 1HB ALA 55 -10.730 -14.750 16.894 438 HB3 ALA 55 2HB ALA 55 -11.390 -14.809 15.259 439 H THR 56 H THR 56 -13.618 -16.048 15.027 440 HA THR 56 HA THR 56 -15.256 -14.977 17.020 441 HB THR 56 HB THR 56 -15.712 -14.708 14.607 442 HG1 THR 56 HG1 THR 56 -18.002 -15.930 15.767 443 HG21 THR 56 3HG2 THR 56 -15.256 -17.025 13.895 444 HG22 THR 56 1HG2 THR 56 -16.835 -16.466 13.340 445 HG23 THR 56 2HG2 THR 56 -16.722 -17.556 14.720 446 H SER 57 H SER 57 -14.609 -18.303 16.264 447 HA SER 57 HA SER 57 -16.793 -19.327 17.912 448 HG SER 57 HG SER 57 -16.787 -22.048 17.510 449 HB2 SER 57 2HB SER 57 -16.315 -20.613 15.931 450 HB3 SER 57 1HB SER 57 -14.602 -20.703 16.337 451 H LYS 58 H LYS 58 -13.294 -18.919 18.059 452 HA LYS 58 HA LYS 58 -12.903 -20.446 20.449 453 HB2 LYS 58 2HB LYS 58 -11.140 -18.336 19.172 454 HB3 LYS 58 1HB LYS 58 -10.644 -19.429 20.457 455 HG2 LYS 58 2HG LYS 58 -11.494 -20.250 17.680 456 HG3 LYS 58 1HG LYS 58 -9.833 -20.163 18.271 457 HD2 LYS 58 2HD LYS 58 -10.334 -21.888 19.939 458 HD3 LYS 58 1HD LYS 58 -12.003 -21.963 19.370 459 HE2 LYS 58 2HE LYS 58 -10.688 -23.799 18.448 460 HE3 LYS 58 1HE LYS 58 -11.222 -22.708 17.170 461 HZ1 LYS 58 3HZ LYS 58 -8.905 -23.399 16.923 462 HZ2 LYS 58 1HZ LYS 58 -8.524 -22.684 18.408 463 HZ3 LYS 58 2HZ LYS 58 -9.044 -21.725 17.111 464 H ILE 59 H ILE 59 -13.592 -17.073 19.783 465 HA ILE 59 HA ILE 59 -13.176 -16.185 22.496 466 HB ILE 59 HB ILE 59 -14.575 -14.796 20.194 467 HG12 ILE 59 2HG1 ILE 59 -11.743 -14.461 21.225 468 HG13 ILE 59 1HG1 ILE 59 -12.177 -15.365 19.780 469 HG21 ILE 59 1HG2 ILE 59 -14.233 -12.734 21.480 470 HG22 ILE 59 2HG2 ILE 59 -13.542 -13.669 22.805 471 HG23 ILE 59 3HG2 ILE 59 -15.238 -13.879 22.368 472 HD11 ILE 59 3HD1 ILE 59 -11.336 -13.164 19.225 473 HD12 ILE 59 1HD1 ILE 59 -12.591 -12.414 20.212 474 HD13 ILE 59 2HD1 ILE 59 -13.031 -13.317 18.760 475 H GLY 60 H GLY 60 -16.003 -16.914 20.452 476 HA2 GLY 60 2HA GLY 60 -18.193 -17.377 20.965 477 HA3 GLY 60 1HA GLY 60 -17.606 -17.886 22.538 478 HA PRO 61 HA PRO 61 -19.961 -14.284 23.914 479 HB2 PRO 61 2HB PRO 61 -19.828 -14.755 26.558 480 HB3 PRO 61 1HB PRO 61 -20.847 -15.730 25.491 481 HG2 PRO 61 2HG PRO 61 -18.141 -16.357 26.619 482 HG3 PRO 61 1HG PRO 61 -19.558 -17.410 26.459 483 HD2 PRO 61 2HD PRO 61 -17.434 -17.408 24.708 484 HD3 PRO 61 1HD PRO 61 -19.076 -17.924 24.274 485 H GLY 62 H GLY 62 -16.665 -15.069 24.728 486 HA2 GLY 62 2HA GLY 62 -15.449 -12.705 24.560 487 HA3 GLY 62 1HA GLY 62 -16.200 -12.553 26.141 488 H VAL 63 H VAL 63 -13.355 -12.586 25.423 489 HA VAL 63 HA VAL 63 -12.336 -15.103 26.475 490 HB VAL 63 HB VAL 63 -10.830 -12.597 25.675 491 HG11 VAL 63 1HG1 VAL 63 -9.566 -13.961 27.250 492 HG12 VAL 63 2HG1 VAL 63 -8.851 -14.059 25.641 493 HG13 VAL 63 3HG1 VAL 63 -9.831 -15.392 26.254 494 HG21 VAL 63 3HG2 VAL 63 -10.276 -13.814 23.616 495 HG22 VAL 63 1HG2 VAL 63 -12.017 -13.582 23.778 496 HG23 VAL 63 2HG2 VAL 63 -11.301 -15.156 24.129 497 H ARG 64 H ARG 64 -12.250 -15.433 28.602 498 HA ARG 64 HA ARG 64 -12.317 -13.246 30.501 499 HE ARG 64 HE ARG 64 -12.484 -15.347 35.206 500 HB2 ARG 64 2HB ARG 64 -13.635 -15.264 30.896 501 HB3 ARG 64 1HB ARG 64 -12.178 -16.246 30.885 502 HG2 ARG 64 2HG ARG 64 -11.397 -15.103 32.914 503 HG3 ARG 64 1HG ARG 64 -12.875 -14.135 32.926 504 HD2 ARG 64 2HD ARG 64 -14.226 -16.114 33.216 505 HD3 ARG 64 1HD ARG 64 -12.812 -17.151 33.039 506 HH11 ARG 64 1HH1 ARG 64 -14.137 -18.227 34.275 507 HH12 ARG 64 2HH1 ARG 64 -14.195 -18.846 35.891 508 HH21 ARG 64 1HH2 ARG 64 -12.576 -16.149 37.281 509 HH22 ARG 64 2HH2 ARG 64 -13.317 -17.684 37.569 510 H ASN 65 H ASN 65 -10.101 -16.006 29.959 511 HA ASN 65 HA ASN 65 -7.778 -14.356 30.277 512 HB2 ASN 65 2HB ASN 65 -6.850 -15.530 32.254 513 HB3 ASN 65 1HB ASN 65 -8.306 -14.621 32.639 514 HD21 ASN 65 1HD2 ASN 65 -6.897 -17.776 32.358 515 HD22 ASN 65 2HD2 ASN 65 -8.208 -18.639 33.083 516 H PHE 66 H PHE 66 -5.774 -16.044 30.616 517 HA PHE 66 HA PHE 66 -6.234 -18.348 28.825 518 HD1 PHE 66 HD1 PHE 66 -5.554 -14.646 28.078 519 HD2 PHE 66 HD2 PHE 66 -4.905 -18.232 25.867 520 HE1 PHE 66 HE1 PHE 66 -6.569 -13.608 26.092 521 HE2 PHE 66 HE2 PHE 66 -5.919 -17.195 23.884 522 HZ PHE 66 HZ PHE 66 -6.756 -14.883 23.995 523 HB2 PHE 66 2HB PHE 66 -3.916 -16.399 28.808 524 HB3 PHE 66 1HB PHE 66 -3.877 -17.948 27.977 525 H GLU 67 H GLU 67 -5.162 -20.244 29.335 526 HA GLU 67 HA GLU 67 -3.289 -20.187 31.617 527 HB2 GLU 67 2HB GLU 67 -5.522 -22.179 31.155 528 HB3 GLU 67 1HB GLU 67 -4.210 -22.437 32.299 529 HG2 GLU 67 2HG GLU 67 -4.901 -20.313 33.437 530 HG3 GLU 67 1HG GLU 67 -6.311 -20.280 32.382 531 H VAL 68 H VAL 68 -1.680 -21.811 31.631 532 HA VAL 68 HA VAL 68 -0.903 -22.655 28.948 533 HB VAL 68 HB VAL 68 0.625 -22.834 31.558 534 HG11 VAL 68 1HG1 VAL 68 2.610 -23.173 30.132 535 HG12 VAL 68 2HG1 VAL 68 1.566 -23.233 28.712 536 HG13 VAL 68 3HG1 VAL 68 1.437 -24.478 29.955 537 HG21 VAL 68 3HG2 VAL 68 1.888 -20.896 30.692 538 HG22 VAL 68 1HG2 VAL 68 0.185 -20.524 30.957 539 HG23 VAL 68 2HG2 VAL 68 0.782 -20.807 29.322 540 H ARG 69 H ARG 69 -0.460 -24.777 28.339 541 HA ARG 69 HA ARG 69 -1.056 -26.958 30.223 542 HE ARG 69 HE ARG 69 -1.748 -28.229 31.035 543 HB2 ARG 69 2HB ARG 69 -3.114 -26.360 28.878 544 HB3 ARG 69 1HB ARG 69 -2.226 -26.813 27.433 545 HG2 ARG 69 2HG ARG 69 -3.452 -28.711 27.859 546 HG3 ARG 69 1HG ARG 69 -1.919 -29.098 28.637 547 HD2 ARG 69 2HD ARG 69 -4.348 -27.986 30.048 548 HD3 ARG 69 1HD ARG 69 -3.910 -29.690 29.997 549 HH11 ARG 69 1HH1 ARG 69 -4.975 -29.049 31.890 550 HH12 ARG 69 2HH1 ARG 69 -4.624 -29.153 33.578 551 HH21 ARG 69 1HH2 ARG 69 -1.306 -28.321 33.219 552 HH22 ARG 69 2HH2 ARG 69 -2.577 -28.729 34.322 553 H SER 70 H SER 70 -0.284 -29.098 29.368 554 HA SER 70 HA SER 70 2.270 -28.894 28.084 555 HG SER 70 HG SER 70 0.332 -32.048 29.681 556 HB2 SER 70 2HB SER 70 2.249 -31.397 28.216 557 HB3 SER 70 1HB SER 70 1.927 -30.615 29.763 558 H ALA 71 H ALA 71 2.873 -30.090 26.095 559 HA ALA 71 HA ALA 71 0.690 -30.606 24.212 560 HB1 ALA 71 3HB ALA 71 1.226 -28.224 23.933 561 HB2 ALA 71 1HB ALA 71 1.627 -29.157 22.491 562 HB3 ALA 71 2HB ALA 71 2.904 -28.645 23.595 563 H ASP 72 H ASP 72 1.893 -31.085 21.938 564 HA ASP 72 HA ASP 72 3.085 -33.605 22.287 565 HB2 ASP 72 2HB ASP 72 3.490 -33.446 19.783 566 HB3 ASP 72 1HB ASP 72 1.827 -33.242 20.318 567 H TYR 73 H TYR 73 5.167 -34.367 21.573 568 HA TYR 73 HA TYR 73 7.438 -34.421 21.635 569 HD1 TYR 73 HD1 TYR 73 7.838 -34.964 19.455 570 HD2 TYR 73 HD2 TYR 73 6.388 -31.026 18.736 571 HE1 TYR 73 HE1 TYR 73 7.112 -35.645 17.205 572 HE2 TYR 73 HE2 TYR 73 5.664 -31.698 16.488 573 HH TYR 73 HH TYR 73 6.172 -33.396 14.822 574 HB2 TYR 73 2HB TYR 73 7.282 -31.509 20.810 575 HB3 TYR 73 1HB TYR 73 8.692 -32.554 20.674 576 H GLY 74 H GLY 74 5.784 -33.387 23.983 577 HA2 GLY 74 2HA GLY 74 6.240 -32.830 26.171 578 HA3 GLY 74 1HA GLY 74 7.950 -32.906 25.776 579 H THR 75 H THR 75 5.709 -30.787 24.100 580 HA THR 75 HA THR 75 7.163 -28.458 25.164 581 HB THR 75 HB THR 75 6.267 -27.192 23.284 582 HG1 THR 75 HG1 THR 75 5.126 -29.434 22.065 583 HG21 THR 75 3HG2 THR 75 8.318 -28.464 22.890 584 HG22 THR 75 1HG2 THR 75 7.338 -28.388 21.425 585 HG23 THR 75 2HG2 THR 75 7.367 -29.865 22.389 586 H GLN 76 H GLN 76 5.204 -26.499 24.574 587 HA GLN 76 HA GLN 76 3.052 -27.132 26.491 588 HB2 GLN 76 2HB GLN 76 4.800 -24.662 26.406 589 HB3 GLN 76 1HB GLN 76 3.325 -24.775 27.358 590 HG2 GLN 76 2HG GLN 76 4.246 -26.374 28.808 591 HG3 GLN 76 1HG GLN 76 5.567 -26.745 27.702 592 HE21 GLN 76 1HE2 GLN 76 4.322 -24.395 29.968 593 HE22 GLN 76 2HE2 GLN 76 5.812 -23.576 30.237 594 H CYS 77 H CYS 77 1.242 -25.457 26.400 595 HA CYS 77 HA CYS 77 0.933 -24.091 23.836 596 HG CYS 77 HG CYS 77 -0.736 -27.890 25.249 597 HB2 CYS 77 2HB CYS 77 -1.211 -25.208 23.327 598 HB3 CYS 77 1HB CYS 77 0.126 -26.354 23.345 599 H PHE 78 H PHE 78 -0.901 -22.639 23.773 600 HA PHE 78 HA PHE 78 -1.725 -21.698 26.434 601 HD1 PHE 78 HD2 PHE 78 -0.870 -19.274 27.170 602 HD2 PHE 78 HD1 PHE 78 0.460 -20.000 23.185 603 HE1 PHE 78 HE2 PHE 78 1.305 -18.261 27.715 604 HE2 PHE 78 HE1 PHE 78 2.635 -18.983 23.725 605 HZ PHE 78 HZ PHE 78 3.062 -18.108 25.992 606 HB2 PHE 78 2HB PHE 78 -1.785 -20.347 23.724 607 HB3 PHE 78 1HB PHE 78 -2.464 -19.637 25.183 608 H TRP 79 H TRP 79 -3.814 -21.781 27.113 609 HA TRP 79 HA TRP 79 -5.882 -22.589 25.162 610 HD1 TRP 79 HD1 TRP 79 -3.474 -24.742 26.710 611 HE1 TRP 79 HE1 TRP 79 -3.633 -27.118 25.735 612 HE3 TRP 79 HE3 TRP 79 -8.553 -25.119 26.320 613 HZ2 TRP 79 HZ2 TRP 79 -5.649 -28.915 24.906 614 HZ3 TRP 79 HZ3 TRP 79 -9.518 -27.194 25.422 615 HH2 TRP 79 HH2 TRP 79 -8.094 -29.051 24.730 616 HB2 TRP 79 2HB TRP 79 -5.531 -23.296 28.071 617 HB3 TRP 79 1HB TRP 79 -7.099 -23.442 27.280 618 H ILE 80 H ILE 80 -7.754 -21.488 25.033 619 HA ILE 80 HA ILE 80 -7.866 -18.856 26.277 620 HB ILE 80 HB ILE 80 -9.747 -20.065 24.232 621 HG12 ILE 80 2HG1 ILE 80 -7.369 -18.251 23.741 622 HG13 ILE 80 1HG1 ILE 80 -7.363 -19.988 23.462 623 HG21 ILE 80 1HG2 ILE 80 -10.310 -17.717 23.732 624 HG22 ILE 80 2HG2 ILE 80 -9.255 -17.192 25.045 625 HG23 ILE 80 3HG2 ILE 80 -10.696 -18.148 25.399 626 HD11 ILE 80 3HD1 ILE 80 -7.687 -18.781 21.397 627 HD12 ILE 80 1HD1 ILE 80 -9.104 -17.972 22.063 628 HD13 ILE 80 2HD1 ILE 80 -9.129 -19.715 21.793 629 H LEU 81 H LEU 81 -8.851 -18.699 28.217 630 HA LEU 81 HA LEU 81 -11.065 -20.449 28.934 631 HG LEU 81 HG LEU 81 -9.020 -20.071 32.034 632 HB2 LEU 81 2HB LEU 81 -9.522 -18.332 30.420 633 HB3 LEU 81 1HB LEU 81 -11.010 -18.991 31.070 634 HD11 LEU 81 1HD1 LEU 81 -11.074 -21.339 31.938 635 HD12 LEU 81 2HD1 LEU 81 -9.696 -22.403 31.662 636 HD13 LEU 81 3HD1 LEU 81 -10.696 -21.884 30.306 637 HD21 LEU 81 3HD2 LEU 81 -7.634 -21.563 30.670 638 HD22 LEU 81 1HD2 LEU 81 -7.501 -19.887 30.137 639 HD23 LEU 81 2HD2 LEU 81 -8.485 -21.028 29.221 640 H ARG 82 H ARG 82 -12.903 -19.963 27.938 641 HA ARG 82 HA ARG 82 -13.705 -17.267 27.309 642 HE ARG 82 HE ARG 82 -13.956 -21.592 25.565 643 HB2 ARG 82 2HB ARG 82 -15.068 -19.949 27.001 644 HB3 ARG 82 1HB ARG 82 -15.794 -18.433 26.478 645 HG2 ARG 82 2HG ARG 82 -14.133 -18.096 24.825 646 HG3 ARG 82 1HG ARG 82 -13.109 -19.371 25.488 647 HD2 ARG 82 2HD ARG 82 -15.861 -19.891 24.362 648 HD3 ARG 82 1HD ARG 82 -14.397 -19.950 23.383 649 HH11 ARG 82 1HH1 ARG 82 -16.227 -21.477 22.983 650 HH12 ARG 82 2HH1 ARG 82 -16.313 -23.198 22.840 651 HH21 ARG 82 1HH2 ARG 82 -14.063 -23.803 25.363 652 HH22 ARG 82 2HH2 ARG 82 -15.078 -24.503 24.153 653 H THR 83 H THR 83 -15.457 -16.106 28.170 654 HA THR 83 HA THR 83 -16.092 -16.351 30.897 655 HB THR 83 HB THR 83 -17.968 -14.783 30.457 656 HG1 THR 83 HG1 THR 83 -18.733 -14.537 28.492 657 HG21 THR 83 3HG2 THR 83 -15.393 -14.083 29.023 658 HG22 THR 83 1HG2 THR 83 -15.722 -13.866 30.743 659 HG23 THR 83 2HG2 THR 83 -16.616 -12.928 29.549 660 H ASP 84 H ASP 84 -17.409 -17.912 28.126 661 HA ASP 84 HA ASP 84 -19.815 -18.946 28.977 662 HB2 ASP 84 2HB ASP 84 -19.160 -19.426 26.767 663 HB3 ASP 84 1HB ASP 84 -17.592 -20.046 27.267 664 H GLY 85 H GLY 85 -16.549 -20.138 29.762 665 HA2 GLY 85 2HA GLY 85 -16.344 -21.015 32.097 666 HA3 GLY 85 1HA GLY 85 -17.783 -21.960 31.753 667 H SER 86 H SER 86 -16.658 -22.431 28.939 668 HA SER 86 HA SER 86 -14.844 -24.624 29.715 669 HG SER 86 HG SER 86 -17.871 -25.084 28.777 670 HB2 SER 86 2HB SER 86 -16.575 -24.276 27.255 671 HB3 SER 86 1HB SER 86 -15.439 -25.606 27.480 672 H GLU 87 H GLU 87 -12.839 -24.827 28.936 673 HA GLU 87 HA GLU 87 -11.641 -22.562 27.589 674 HB2 GLU 87 2HB GLU 87 -9.511 -23.880 27.963 675 HB3 GLU 87 1HB GLU 87 -10.397 -23.441 29.416 676 HG2 GLU 87 2HG GLU 87 -11.362 -25.696 29.501 677 HG3 GLU 87 1HG GLU 87 -10.438 -26.133 28.066 678 H GLU 88 H GLU 88 -10.344 -22.697 25.697 679 HA GLU 88 HA GLU 88 -10.362 -25.098 24.068 680 HB2 GLU 88 2HB GLU 88 -12.518 -24.066 23.474 681 HB3 GLU 88 1HB GLU 88 -11.697 -22.562 23.081 682 HG2 GLU 88 2HG GLU 88 -12.265 -23.818 21.070 683 HG3 GLU 88 1HG GLU 88 -10.520 -23.651 21.250 684 H ARG 89 H ARG 89 -8.669 -25.117 22.547 685 HA ARG 89 HA ARG 89 -6.683 -23.004 23.029 686 HE ARG 89 HE ARG 89 -4.012 -25.759 20.646 687 HB2 ARG 89 2HB ARG 89 -5.025 -24.588 22.175 688 HB3 ARG 89 1HB ARG 89 -5.960 -25.283 23.491 689 HG2 ARG 89 2HG ARG 89 -7.248 -26.614 21.958 690 HG3 ARG 89 1HG ARG 89 -6.505 -25.814 20.571 691 HD2 ARG 89 2HD ARG 89 -5.066 -27.527 22.605 692 HD3 ARG 89 1HD ARG 89 -5.523 -28.027 20.975 693 HH11 ARG 89 1HH1 ARG 89 -3.517 -28.856 22.064 694 HH12 ARG 89 2HH1 ARG 89 -1.823 -28.854 21.717 695 HH21 ARG 89 1HH2 ARG 89 -1.822 -25.776 20.229 696 HH22 ARG 89 2HH2 ARG 89 -0.878 -27.143 20.706 697 H PHE 90 H PHE 90 -5.164 -22.497 21.203 698 HA PHE 90 HA PHE 90 -6.337 -22.690 18.528 699 HD1 PHE 90 HD1 PHE 90 -5.811 -20.350 21.781 700 HD2 PHE 90 HD2 PHE 90 -4.312 -18.827 18.094 701 HE1 PHE 90 HE1 PHE 90 -4.329 -18.823 23.014 702 HE2 PHE 90 HE2 PHE 90 -2.833 -17.299 19.326 703 HZ PHE 90 HZ PHE 90 -2.840 -17.297 21.788 704 HB2 PHE 90 2HB PHE 90 -6.080 -20.330 18.054 705 HB3 PHE 90 1HB PHE 90 -7.082 -20.511 19.488 706 H SER 91 H SER 91 -4.830 -23.140 17.005 707 HA SER 91 HA SER 91 -2.107 -23.560 17.750 708 HG SER 91 HG SER 91 -3.403 -22.632 14.498 709 HB2 SER 91 2HB SER 91 -1.784 -24.056 15.305 710 HB3 SER 91 1HB SER 91 -3.074 -24.986 16.067 711 H TYR 92 H TYR 92 -1.031 -21.735 18.337 712 HA TYR 92 HA TYR 92 -1.318 -19.219 17.088 713 HD1 TYR 92 HD1 TYR 92 0.151 -21.814 20.036 714 HD2 TYR 92 HD2 TYR 92 2.834 -19.150 18.075 715 HE1 TYR 92 HE1 TYR 92 2.049 -23.233 20.707 716 HE2 TYR 92 HE2 TYR 92 4.732 -20.561 18.736 717 HH TYR 92 HH TYR 92 5.244 -22.226 20.555 718 HB2 TYR 92 2HB TYR 92 0.562 -18.493 18.453 719 HB3 TYR 92 1HB TYR 92 -0.529 -19.487 19.408 720 H LYS 93 H LYS 93 0.993 -21.837 16.521 721 HA LYS 93 HA LYS 93 2.775 -20.230 14.970 722 HB2 LYS 93 2HB LYS 93 3.998 -22.277 14.538 723 HB3 LYS 93 1HB LYS 93 3.547 -22.184 16.231 724 HG2 LYS 93 2HG LYS 93 2.955 -24.334 15.923 725 HG3 LYS 93 1HG LYS 93 1.470 -23.629 15.286 726 HD2 LYS 93 2HD LYS 93 2.288 -23.836 13.018 727 HD3 LYS 93 1HD LYS 93 3.865 -24.374 13.596 728 HE2 LYS 93 2HE LYS 93 2.755 -26.367 14.597 729 HE3 LYS 93 1HE LYS 93 1.238 -25.843 13.864 730 HZ1 LYS 93 3HZ LYS 93 2.283 -26.017 11.687 731 HZ2 LYS 93 1HZ LYS 93 2.341 -27.494 12.504 732 HZ3 LYS 93 2HZ LYS 93 3.725 -26.534 12.398 733 H LYS 94 H LYS 94 -0.234 -21.459 14.195 734 HA LYS 94 HA LYS 94 0.350 -21.619 11.321 735 HB2 LYS 94 2HB LYS 94 -2.180 -22.174 12.886 736 HB3 LYS 94 1HB LYS 94 -2.086 -22.228 11.130 737 HG2 LYS 94 2HG LYS 94 -0.429 -24.031 11.276 738 HG3 LYS 94 1HG LYS 94 -0.534 -23.979 13.037 739 HD2 LYS 94 2HD LYS 94 -1.899 -25.796 12.141 740 HD3 LYS 94 1HD LYS 94 -2.914 -24.579 12.915 741 HE2 LYS 94 2HE LYS 94 -3.379 -23.611 10.668 742 HE3 LYS 94 1HE LYS 94 -2.449 -24.924 9.945 743 HZ1 LYS 94 3HZ LYS 94 -4.029 -26.497 10.951 744 HZ2 LYS 94 1HZ LYS 94 -4.790 -25.433 9.878 745 HZ3 LYS 94 2HZ LYS 94 -4.939 -25.201 11.542 746 H CYS 95 H CYS 95 -0.199 -19.221 13.461 747 HA CYS 95 HA CYS 95 -2.065 -17.636 11.861 748 HG CYS 95 HG CYS 95 -2.604 -14.984 14.990 749 HB2 CYS 95 2HB CYS 95 -2.311 -17.635 14.315 750 HB3 CYS 95 1HB CYS 95 -0.678 -17.002 14.484 751 H VAL 96 H VAL 96 -0.041 -18.060 10.299 752 HA VAL 96 HA VAL 96 2.197 -16.276 10.656 753 HB VAL 96 HB VAL 96 1.428 -17.986 8.276 754 HG11 VAL 96 1HG1 VAL 96 3.784 -17.757 7.601 755 HG12 VAL 96 2HG1 VAL 96 4.045 -16.626 8.929 756 HG13 VAL 96 3HG1 VAL 96 2.944 -16.206 7.619 757 HG21 VAL 96 3HG2 VAL 96 3.107 -19.571 9.129 758 HG22 VAL 96 1HG2 VAL 96 1.778 -19.338 10.266 759 HG23 VAL 96 2HG2 VAL 96 3.332 -18.554 10.553 760 H LEU 97 H LEU 97 0.131 -16.635 7.776 761 HA LEU 97 HA LEU 97 -0.723 -13.992 7.477 762 HG LEU 97 HG LEU 97 1.953 -11.937 5.943 763 HB2 LEU 97 2HB LEU 97 1.862 -13.738 7.424 764 HB3 LEU 97 1HB LEU 97 1.777 -14.474 5.841 765 HD11 LEU 97 1HD1 LEU 97 0.490 -11.572 4.047 766 HD12 LEU 97 2HD1 LEU 97 -0.379 -13.065 4.397 767 HD13 LEU 97 3HD1 LEU 97 1.312 -13.125 3.901 768 HD21 LEU 97 3HD2 LEU 97 -0.122 -10.691 6.290 769 HD22 LEU 97 1HD2 LEU 97 0.369 -11.548 7.750 770 HD23 LEU 97 2HD2 LEU 97 -0.945 -12.180 6.755 771 H GLU 98 H GLU 98 -1.794 -13.676 5.420 772 HA GLU 98 HA GLU 98 -2.874 -15.945 4.209 773 HB2 GLU 98 2HB GLU 98 -2.596 -13.187 2.993 774 HB3 GLU 98 1HB GLU 98 -3.713 -14.436 2.462 775 HG2 GLU 98 2HG GLU 98 -4.859 -14.310 4.638 776 HG3 GLU 98 1HG GLU 98 -3.756 -13.023 5.128 777 H HIS 99 H HIS 99 -1.804 -17.461 3.061 778 HA HIS 99 HA HIS 99 0.058 -16.567 0.955 779 HD1 HIS 99 HD1 HIS 99 1.869 -15.563 1.844 780 HD2 HIS 99 HD2 HIS 99 2.160 -18.449 4.823 781 HE1 HIS 99 HE1 HIS 99 3.338 -14.556 3.610 782 HE2 HIS 99 HE2 HIS 99 3.635 -16.374 5.321 783 HB2 HIS 99 2HB HIS 99 0.445 -18.961 2.771 784 HB3 HIS 99 1HB HIS 99 1.450 -18.584 1.376 785 H HIS 100 H HIS 100 0.090 -17.756 -0.942 786 HA HIS 100 HA HIS 100 -2.315 -18.767 -1.891 787 HD1 HIS 100 HD1 HIS 100 0.792 -21.332 -3.708 788 HD2 HIS 100 HD2 HIS 100 2.014 -17.619 -2.285 789 HE1 HIS 100 HE1 HIS 100 3.272 -21.511 -3.387 790 HE2 HIS 100 HE2 HIS 100 4.007 -19.200 -2.741 791 HB2 HIS 100 2HB HIS 100 -1.022 -19.530 -3.859 792 HB3 HIS 100 1HB HIS 100 -0.593 -17.893 -3.371 793 H HIS 101 H HIS 101 -2.714 -20.934 -2.878 794 HA HIS 101 HA HIS 101 -2.444 -22.997 -0.897 795 HD1 HIS 101 HD1 HIS 101 -5.444 -24.121 -0.653 796 HD2 HIS 101 HD2 HIS 101 -5.240 -20.864 -3.221 797 HE1 HIS 101 HE1 HIS 101 -7.466 -22.732 -0.136 798 HE2 HIS 101 HE2 HIS 101 -7.428 -20.890 -1.844 799 HB2 HIS 101 2HB HIS 101 -3.579 -23.093 -3.706 800 HB3 HIS 101 1HB HIS 101 -3.708 -24.394 -2.528 801 H HIS 102 H HIS 102 -1.883 -25.302 -1.694 802 HA HIS 102 HA HIS 102 0.836 -25.293 -2.707 803 HD1 HIS 102 HD1 HIS 102 -1.337 -26.972 0.663 804 HD2 HIS 102 HD2 HIS 102 2.586 -26.248 -0.500 805 HE1 HIS 102 HE1 HIS 102 -0.112 -26.375 2.769 806 HE2 HIS 102 HE2 HIS 102 2.284 -26.055 2.059 807 HB2 HIS 102 2HB HIS 102 -0.947 -27.537 -1.729 808 HB3 HIS 102 1HB HIS 102 0.731 -27.749 -2.220 809 H HIS 103 H HIS 103 1.570 -26.423 -4.560 810 HA HIS 103 HA HIS 103 -0.426 -27.546 -6.384 811 HD1 HIS 103 HD1 HIS 103 -1.730 -26.483 -8.814 812 HD2 HIS 103 HD2 HIS 103 -0.772 -23.442 -6.151 813 HE1 HIS 103 HE1 HIS 103 -3.773 -25.031 -8.685 814 HE2 HIS 103 HE2 HIS 103 -3.235 -23.324 -6.925 815 HB2 HIS 103 2HB HIS 103 1.255 -25.129 -6.965 816 HB3 HIS 103 1HB HIS 103 0.838 -26.226 -8.280 817 H HIS 104 H HIS 104 2.140 -28.282 -4.771 818 HA HIS 104 HA HIS 104 2.852 -30.424 -6.494 819 HD1 HIS 104 HD1 HIS 104 6.870 -29.325 -5.079 820 HD2 HIS 104 HD2 HIS 104 4.412 -26.163 -6.190 821 HE1 HIS 104 HE1 HIS 104 7.867 -27.292 -4.003 822 HE2 HIS 104 HE2 HIS 104 6.510 -25.377 -4.895 823 HB2 HIS 104 2HB HIS 104 5.202 -29.942 -6.887 824 HB3 HIS 104 1HB HIS 104 4.216 -28.656 -7.569 Start of MODEL 7 1 HA MET 1 HA MET 1 -2.785 -0.119 0.955 2 H1 MET 1 1H MET 1 -4.570 -1.232 -0.244 3 H2 MET 1 2H MET 1 -4.963 0.360 0.151 4 H3 MET 1 3H MET 1 -5.644 -0.916 1.026 5 HB2 MET 1 2HB MET 1 -3.068 0.477 3.295 6 HB3 MET 1 1HB MET 1 -4.223 1.357 2.305 7 HG2 MET 1 2HG MET 1 -5.993 -0.164 2.977 8 HG3 MET 1 1HG MET 1 -4.844 -1.117 3.913 9 HE1 MET 1 3HE MET 1 -6.268 -0.957 6.128 10 HE2 MET 1 1HE MET 1 -7.509 -0.099 5.216 11 HE3 MET 1 2HE MET 1 -6.934 0.551 6.751 12 H ALA 2 H ALA 2 -5.017 -2.699 1.508 13 HA ALA 2 HA ALA 2 -3.523 -4.228 3.367 14 HB1 ALA 2 3HB ALA 2 -5.527 -5.187 1.320 15 HB2 ALA 2 1HB ALA 2 -5.908 -4.611 2.943 16 HB3 ALA 2 2HB ALA 2 -4.967 -6.088 2.729 17 H LYS 3 H LYS 3 -1.525 -4.952 3.029 18 HA LYS 3 HA LYS 3 -0.859 -6.448 0.613 19 HB2 LYS 3 2HB LYS 3 1.144 -5.086 0.142 20 HB3 LYS 3 1HB LYS 3 -0.328 -4.137 -0.016 21 HG2 LYS 3 2HG LYS 3 0.053 -3.133 2.165 22 HG3 LYS 3 1HG LYS 3 1.491 -4.129 2.389 23 HD2 LYS 3 2HD LYS 3 2.505 -3.045 0.403 24 HD3 LYS 3 1HD LYS 3 1.087 -1.999 0.282 25 HE2 LYS 3 2HE LYS 3 1.552 -1.105 2.512 26 HE3 LYS 3 1HE LYS 3 2.954 -2.163 2.652 27 HZ1 LYS 3 3HZ LYS 3 3.681 -0.001 2.023 28 HZ2 LYS 3 1HZ LYS 3 2.591 0.065 0.731 29 HZ3 LYS 3 2HZ LYS 3 3.885 -1.018 0.687 30 H ALA 4 H ALA 4 1.924 -6.597 1.002 31 HA ALA 4 HA ALA 4 2.243 -8.245 3.299 32 HB1 ALA 4 3HB ALA 4 3.632 -8.514 1.292 33 HB2 ALA 4 1HB ALA 4 4.624 -8.261 2.727 34 HB3 ALA 4 2HB ALA 4 4.373 -6.940 1.586 35 H GLN 5 H GLN 5 1.599 -7.077 5.108 36 HA GLN 5 HA GLN 5 3.213 -4.713 5.847 37 HB2 GLN 5 2HB GLN 5 0.361 -5.420 6.589 38 HB3 GLN 5 1HB GLN 5 1.236 -4.022 7.203 39 HG2 GLN 5 2HG GLN 5 1.345 -3.038 5.033 40 HG3 GLN 5 1HG GLN 5 0.732 -4.506 4.277 41 HE21 GLN 5 1HE2 GLN 5 -0.097 -1.717 6.192 42 HE22 GLN 5 2HE2 GLN 5 -1.805 -1.840 5.973 43 HA PRO 6 HA PRO 6 4.668 -6.879 9.470 44 HB2 PRO 6 2HB PRO 6 4.447 -4.310 10.937 45 HB3 PRO 6 1HB PRO 6 5.869 -5.313 10.629 46 HG2 PRO 6 2HG PRO 6 5.523 -2.992 9.347 47 HG3 PRO 6 1HG PRO 6 6.223 -4.400 8.522 48 HD2 PRO 6 2HD PRO 6 3.416 -3.327 8.385 49 HD3 PRO 6 1HD PRO 6 4.461 -3.912 7.070 50 H ILE 7 H ILE 7 3.823 -7.932 11.216 51 HA ILE 7 HA ILE 7 0.990 -7.626 11.700 52 HB ILE 7 HB ILE 7 2.982 -9.583 12.883 53 HG12 ILE 7 2HG1 ILE 7 1.667 -11.222 11.423 54 HG13 ILE 7 1HG1 ILE 7 0.969 -9.817 10.629 55 HG21 ILE 7 1HG2 ILE 7 1.140 -9.255 14.424 56 HG22 ILE 7 2HG2 ILE 7 1.013 -10.843 13.664 57 HG23 ILE 7 3HG2 ILE 7 -0.027 -9.522 13.126 58 HD11 ILE 7 3HD1 ILE 7 2.807 -10.731 9.339 59 HD12 ILE 7 1HD1 ILE 7 3.895 -10.534 10.714 60 HD13 ILE 7 2HD1 ILE 7 3.209 -9.116 9.923 61 H GLU 8 H GLU 8 0.451 -5.914 12.952 62 HA GLU 8 HA GLU 8 2.014 -5.274 15.338 63 HB2 GLU 8 2HB GLU 8 1.295 -3.476 13.779 64 HB3 GLU 8 1HB GLU 8 -0.382 -3.844 14.145 65 HG2 GLU 8 2HG GLU 8 1.503 -3.093 16.350 66 HG3 GLU 8 1HG GLU 8 0.812 -1.850 15.314 67 H ILE 9 H ILE 9 1.552 -6.296 17.177 68 HA ILE 9 HA ILE 9 -1.282 -6.790 17.862 69 HB ILE 9 HB ILE 9 1.051 -8.600 18.537 70 HG12 ILE 9 2HG1 ILE 9 -1.312 -9.051 16.685 71 HG13 ILE 9 1HG1 ILE 9 0.347 -8.762 16.170 72 HG21 ILE 9 1HG2 ILE 9 -0.612 -10.085 19.526 73 HG22 ILE 9 2HG2 ILE 9 -1.893 -8.935 19.146 74 HG23 ILE 9 3HG2 ILE 9 -0.646 -8.510 20.317 75 HD11 ILE 9 3HD1 ILE 9 -0.609 -11.134 17.763 76 HD12 ILE 9 1HD1 ILE 9 1.042 -10.850 17.205 77 HD13 ILE 9 2HD1 ILE 9 -0.251 -11.113 16.037 78 H ALA 10 H ALA 10 -1.769 -5.373 19.435 79 HA ALA 10 HA ALA 10 -1.737 -4.217 21.401 80 HB1 ALA 10 3HB ALA 10 -1.675 -6.493 22.330 81 HB2 ALA 10 1HB ALA 10 -0.809 -5.347 23.353 82 HB3 ALA 10 2HB ALA 10 0.088 -6.451 22.310 83 H GLY 11 H GLY 11 0.198 -3.443 19.398 84 HA2 GLY 11 2HA GLY 11 1.670 -1.589 19.468 85 HA3 GLY 11 1HA GLY 11 2.082 -1.991 21.125 86 H HIS 12 H HIS 12 2.412 -4.880 20.182 87 HA HIS 12 HA HIS 12 5.238 -4.674 19.633 88 HD1 HIS 12 HD1 HIS 12 6.516 -6.710 21.874 89 HD2 HIS 12 HD2 HIS 12 2.436 -6.089 22.353 90 HE1 HIS 12 HE1 HIS 12 6.160 -6.463 24.344 91 HE2 HIS 12 HE2 HIS 12 3.727 -5.897 24.591 92 HB2 HIS 12 2HB HIS 12 3.442 -7.103 19.861 93 HB3 HIS 12 1HB HIS 12 5.198 -7.150 19.755 94 H GLU 13 H GLU 13 5.810 -4.115 17.608 95 HA GLU 13 HA GLU 13 4.241 -4.965 15.303 96 HB2 GLU 13 2HB GLU 13 6.691 -3.192 15.466 97 HB3 GLU 13 1HB GLU 13 5.696 -3.438 14.035 98 HG2 GLU 13 2HG GLU 13 3.801 -2.404 15.135 99 HG3 GLU 13 1HG GLU 13 4.729 -2.234 16.624 100 H PHE 14 H PHE 14 4.636 -6.932 14.499 101 HA PHE 14 HA PHE 14 7.346 -8.042 14.509 102 HD1 PHE 14 HD1 PHE 14 7.458 -10.200 16.028 103 HD2 PHE 14 HD2 PHE 14 3.338 -9.217 15.573 104 HE1 PHE 14 HE1 PHE 14 7.070 -10.745 18.394 105 HE2 PHE 14 HE2 PHE 14 2.945 -9.761 17.938 106 HZ PHE 14 HZ PHE 14 4.811 -10.527 19.352 107 HB2 PHE 14 2HB PHE 14 4.710 -9.293 13.689 108 HB3 PHE 14 1HB PHE 14 6.255 -10.131 13.758 109 H ALA 15 H ALA 15 8.632 -7.961 12.772 110 HA ALA 15 HA ALA 15 7.949 -6.551 10.433 111 HB1 ALA 15 3HB ALA 15 10.147 -7.208 9.606 112 HB2 ALA 15 1HB ALA 15 10.273 -8.430 10.873 113 HB3 ALA 15 2HB ALA 15 10.237 -6.720 11.298 114 H ARG 16 H ARG 16 8.213 -10.044 11.033 115 HA ARG 16 HA ARG 16 6.783 -10.518 8.493 116 HE ARG 16 HE ARG 16 11.374 -11.165 9.619 117 HB2 ARG 16 2HB ARG 16 8.157 -12.408 7.982 118 HB3 ARG 16 1HB ARG 16 9.233 -11.062 8.327 119 HG2 ARG 16 2HG ARG 16 9.401 -12.005 10.690 120 HG3 ARG 16 1HG ARG 16 8.630 -13.454 10.046 121 HD2 ARG 16 2HD ARG 16 11.000 -13.792 10.019 122 HD3 ARG 16 1HD ARG 16 10.460 -13.591 8.352 123 HH11 ARG 16 1HH1 ARG 16 12.308 -13.932 7.788 124 HH12 ARG 16 2HH1 ARG 16 13.720 -13.169 7.152 125 HH21 ARG 16 1HH2 ARG 16 13.178 -10.190 8.797 126 HH22 ARG 16 2HH2 ARG 16 14.217 -11.067 7.726 127 H LYS 17 H LYS 17 5.751 -12.738 8.442 128 HA LYS 17 HA LYS 17 4.024 -13.026 10.663 129 HB2 LYS 17 2HB LYS 17 3.527 -13.687 8.282 130 HB3 LYS 17 1HB LYS 17 4.584 -15.072 8.497 131 HG2 LYS 17 2HG LYS 17 2.534 -16.022 8.870 132 HG3 LYS 17 1HG LYS 17 3.007 -15.606 10.518 133 HD2 LYS 17 2HD LYS 17 1.642 -13.588 10.431 134 HD3 LYS 17 1HD LYS 17 1.229 -13.916 8.744 135 HE2 LYS 17 2HE LYS 17 0.260 -16.125 9.568 136 HE3 LYS 17 1HE LYS 17 0.415 -15.470 11.196 137 HZ1 LYS 17 3HZ LYS 17 -1.047 -13.652 10.569 138 HZ2 LYS 17 1HZ LYS 17 -1.804 -15.138 10.281 139 HZ3 LYS 17 2HZ LYS 17 -1.164 -14.251 8.996 140 H ALA 18 H ALA 18 6.895 -14.784 9.645 141 HA ALA 18 HA ALA 18 6.887 -16.895 11.452 142 HB1 ALA 18 3HB ALA 18 9.286 -15.418 10.365 143 HB2 ALA 18 1HB ALA 18 8.421 -16.725 9.554 144 HB3 ALA 18 2HB ALA 18 9.288 -17.041 11.058 145 H ASP 19 H ASP 19 7.714 -13.533 11.994 146 HA ASP 19 HA ASP 19 9.099 -13.778 14.434 147 HB2 ASP 19 2HB ASP 19 7.467 -11.565 13.200 148 HB3 ASP 19 1HB ASP 19 8.141 -11.389 14.812 149 H ALA 20 H ALA 20 5.633 -13.296 13.778 150 HA ALA 20 HA ALA 20 4.744 -13.128 16.425 151 HB1 ALA 20 3HB ALA 20 2.530 -13.693 15.548 152 HB2 ALA 20 1HB ALA 20 3.262 -14.227 14.032 153 HB3 ALA 20 2HB ALA 20 3.353 -12.530 14.508 154 H LEU 21 H LEU 21 5.004 -15.997 14.323 155 HA LEU 21 HA LEU 21 4.005 -17.863 16.191 156 HG LEU 21 HG LEU 21 3.955 -17.411 12.944 157 HB2 LEU 21 2HB LEU 21 5.950 -18.348 13.929 158 HB3 LEU 21 1HB LEU 21 5.018 -19.578 14.763 159 HD11 LEU 21 1HD1 LEU 21 4.938 -19.307 11.784 160 HD12 LEU 21 2HD1 LEU 21 3.185 -19.310 11.598 161 HD13 LEU 21 3HD1 LEU 21 3.953 -20.423 12.731 162 HD21 LEU 21 3HD2 LEU 21 2.413 -17.669 14.802 163 HD22 LEU 21 1HD2 LEU 21 2.422 -19.423 14.600 164 HD23 LEU 21 2HD2 LEU 21 1.729 -18.392 13.347 165 H ALA 22 H ALA 22 7.353 -16.937 15.392 166 HA ALA 22 HA ALA 22 8.664 -18.708 17.141 167 HB1 ALA 22 3HB ALA 22 9.802 -17.511 15.329 168 HB2 ALA 22 1HB ALA 22 10.612 -17.253 16.874 169 HB3 ALA 22 2HB ALA 22 9.588 -15.989 16.192 170 H PHE 23 H PHE 23 7.805 -15.281 17.612 171 HA PHE 23 HA PHE 23 8.765 -14.902 20.182 172 HD1 PHE 23 HD1 PHE 23 9.100 -12.305 20.909 173 HD2 PHE 23 HD2 PHE 23 4.899 -12.966 20.628 174 HE1 PHE 23 HE1 PHE 23 8.745 -10.879 22.884 175 HE2 PHE 23 HE2 PHE 23 4.537 -11.539 22.600 176 HZ PHE 23 HZ PHE 23 6.462 -10.492 23.730 177 HB2 PHE 23 2HB PHE 23 7.936 -13.083 18.766 178 HB3 PHE 23 1HB PHE 23 6.295 -13.700 18.901 179 H MET 24 H MET 24 5.350 -15.643 19.368 180 HA MET 24 HA MET 24 4.518 -16.037 22.001 181 HB2 MET 24 2HB MET 24 3.378 -16.987 19.382 182 HB3 MET 24 1HB MET 24 2.593 -17.332 20.919 183 HG2 MET 24 2HG MET 24 2.475 -14.911 21.375 184 HG3 MET 24 1HG MET 24 3.190 -14.600 19.794 185 HE1 MET 24 3HE MET 24 0.425 -15.741 17.331 186 HE2 MET 24 1HE MET 24 1.882 -16.591 17.847 187 HE3 MET 24 2HE MET 24 1.940 -14.859 17.519 188 H LYS 25 H LYS 25 6.016 -18.355 19.779 189 HA LYS 25 HA LYS 25 5.466 -20.642 21.386 190 HB2 LYS 25 2HB LYS 25 6.155 -20.870 19.035 191 HB3 LYS 25 1HB LYS 25 7.747 -20.230 19.435 192 HG2 LYS 25 2HG LYS 25 8.116 -22.140 20.949 193 HG3 LYS 25 1HG LYS 25 6.542 -22.791 20.491 194 HD2 LYS 25 2HD LYS 25 7.295 -23.016 18.178 195 HD3 LYS 25 1HD LYS 25 8.866 -22.326 18.609 196 HE2 LYS 25 2HE LYS 25 9.227 -24.203 20.178 197 HE3 LYS 25 1HE LYS 25 7.684 -24.897 19.681 198 HZ1 LYS 25 3HZ LYS 25 8.531 -25.186 17.464 199 HZ2 LYS 25 1HZ LYS 25 9.590 -25.913 18.567 200 HZ3 LYS 25 2HZ LYS 25 9.988 -24.424 17.871 201 H VAL 26 H VAL 26 8.326 -18.496 21.191 202 HA VAL 26 HA VAL 26 9.975 -19.766 23.030 203 HB VAL 26 HB VAL 26 9.688 -16.800 22.497 204 HG11 VAL 26 1HG1 VAL 26 10.738 -17.152 24.685 205 HG12 VAL 26 2HG1 VAL 26 11.907 -16.540 23.513 206 HG13 VAL 26 3HG1 VAL 26 11.911 -18.249 23.955 207 HG21 VAL 26 3HG2 VAL 26 10.348 -18.087 20.538 208 HG22 VAL 26 1HG2 VAL 26 11.647 -18.854 21.453 209 HG23 VAL 26 2HG2 VAL 26 11.707 -17.124 21.115 210 H MET 27 H MET 27 7.801 -17.013 23.753 211 HA MET 27 HA MET 27 8.030 -17.101 26.534 212 HB2 MET 27 2HB MET 27 5.722 -15.978 26.494 213 HB3 MET 27 1HB MET 27 7.030 -15.171 25.638 214 HG2 MET 27 2HG MET 27 6.203 -16.187 23.530 215 HG3 MET 27 1HG MET 27 4.833 -16.838 24.425 216 HE1 MET 27 3HE MET 27 3.559 -14.877 26.190 217 HE2 MET 27 1HE MET 27 2.686 -15.599 24.840 218 HE3 MET 27 2HE MET 27 2.593 -13.860 25.123 219 H LEU 28 H LEU 28 5.768 -18.838 24.419 220 HA LEU 28 HA LEU 28 4.158 -20.044 26.361 221 HG LEU 28 HG LEU 28 3.898 -22.895 24.960 222 HB2 LEU 28 2HB LEU 28 3.689 -20.052 23.949 223 HB3 LEU 28 1HB LEU 28 5.045 -21.128 23.682 224 HD11 LEU 28 1HD1 LEU 28 2.585 -21.502 26.469 225 HD12 LEU 28 2HD1 LEU 28 1.546 -22.623 25.589 226 HD13 LEU 28 3HD1 LEU 28 1.613 -20.925 25.114 227 HD21 LEU 28 3HD2 LEU 28 3.622 -22.774 22.534 228 HD22 LEU 28 1HD2 LEU 28 2.231 -21.708 22.736 229 HD23 LEU 28 2HD2 LEU 28 2.156 -23.374 23.309 230 H ASN 29 H ASN 29 7.269 -21.095 25.024 231 HA ASN 29 HA ASN 29 7.372 -23.612 26.335 232 HB2 ASN 29 2HB ASN 29 9.505 -21.857 25.119 233 HB3 ASN 29 1HB ASN 29 9.862 -23.432 25.819 234 HD21 ASN 29 1HD2 ASN 29 6.863 -22.831 24.126 235 HD22 ASN 29 2HD2 ASN 29 7.243 -23.787 22.747 236 H ARG 30 H ARG 30 8.029 -20.391 27.450 237 HA ARG 30 HA ARG 30 9.586 -21.197 29.737 238 HE ARG 30 HE ARG 30 12.850 -18.878 28.256 239 HB2 ARG 30 2HB ARG 30 8.377 -18.618 28.808 240 HB3 ARG 30 1HB ARG 30 8.817 -18.767 30.505 241 HG2 ARG 30 2HG ARG 30 10.608 -17.737 29.215 242 HG3 ARG 30 1HG ARG 30 11.119 -19.289 29.882 243 HD2 ARG 30 2HD ARG 30 10.499 -20.294 27.632 244 HD3 ARG 30 1HD ARG 30 10.366 -18.637 27.040 245 HH11 ARG 30 1HH1 ARG 30 11.187 -20.158 25.523 246 HH12 ARG 30 2HH1 ARG 30 12.648 -20.474 24.651 247 HH21 ARG 30 1HH2 ARG 30 14.708 -19.331 27.143 248 HH22 ARG 30 2HH2 ARG 30 14.606 -20.027 25.561 249 H TYR 31 H TYR 31 6.292 -21.293 28.962 250 HA TYR 31 HA TYR 31 5.558 -21.753 31.781 251 HD1 TYR 31 HD1 TYR 31 3.609 -19.821 32.635 252 HD2 TYR 31 HD2 TYR 31 4.310 -19.399 28.454 253 HE1 TYR 31 HE1 TYR 31 3.527 -17.372 32.870 254 HE2 TYR 31 HE2 TYR 31 4.230 -16.954 28.682 255 HH TYR 31 HH TYR 31 3.481 -15.261 30.099 256 HB2 TYR 31 2HB TYR 31 3.767 -21.534 29.344 257 HB3 TYR 31 1HB TYR 31 3.225 -21.716 31.006 258 H ARG 32 H ARG 32 4.234 -23.714 32.215 259 HA ARG 32 HA ARG 32 5.032 -25.959 30.475 260 HE ARG 32 HE ARG 32 5.270 -28.575 33.589 261 HB2 ARG 32 2HB ARG 32 4.238 -25.905 33.395 262 HB3 ARG 32 1HB ARG 32 4.490 -27.386 32.480 263 HG2 ARG 32 2HG ARG 32 6.815 -26.743 32.077 264 HG3 ARG 32 1HG ARG 32 6.565 -25.259 33.002 265 HD2 ARG 32 2HD ARG 32 7.655 -27.094 34.296 266 HD3 ARG 32 1HD ARG 32 6.157 -26.499 35.013 267 HH11 ARG 32 1HH1 ARG 32 8.014 -28.350 35.656 268 HH12 ARG 32 2HH1 ARG 32 7.868 -29.985 36.191 269 HH21 ARG 32 1HH2 ARG 32 5.106 -30.658 34.271 270 HH22 ARG 32 2HH2 ARG 32 6.232 -31.271 35.434 271 HA PRO 33 HA PRO 33 0.833 -26.826 29.272 272 HB2 PRO 33 2HB PRO 33 1.251 -29.695 29.907 273 HB3 PRO 33 1HB PRO 33 0.851 -28.928 28.365 274 HG2 PRO 33 2HG PRO 33 3.294 -29.907 28.802 275 HG3 PRO 33 1HG PRO 33 3.074 -28.387 27.911 276 HD2 PRO 33 2HD PRO 33 3.855 -28.800 30.789 277 HD3 PRO 33 1HD PRO 33 4.549 -27.689 29.585 278 H GLY 34 H GLY 34 1.385 -26.473 32.299 279 HA2 GLY 34 2HA GLY 34 -1.325 -27.132 33.102 280 HA3 GLY 34 1HA GLY 34 -0.053 -27.922 34.027 281 H ASP 35 H ASP 35 0.203 -24.673 32.688 282 HA ASP 35 HA ASP 35 -0.120 -23.492 35.367 283 HB2 ASP 35 2HB ASP 35 2.254 -23.076 33.528 284 HB3 ASP 35 1HB ASP 35 1.901 -22.049 34.915 285 H ILE 36 H ILE 36 -0.331 -21.101 35.321 286 HA ILE 36 HA ILE 36 -2.019 -20.278 33.079 287 HB ILE 36 HB ILE 36 -1.473 -18.890 35.720 288 HG12 ILE 36 2HG1 ILE 36 -2.646 -21.037 36.003 289 HG13 ILE 36 1HG1 ILE 36 -3.703 -19.683 36.382 290 HG21 ILE 36 1HG2 ILE 36 -3.513 -18.285 33.577 291 HG22 ILE 36 2HG2 ILE 36 -2.140 -17.281 34.042 292 HG23 ILE 36 3HG2 ILE 36 -3.468 -17.535 35.173 293 HD11 ILE 36 3HD1 ILE 36 -4.881 -21.392 35.140 294 HD12 ILE 36 1HD1 ILE 36 -3.707 -21.277 33.827 295 HD13 ILE 36 2HD1 ILE 36 -4.764 -19.910 34.189 296 H VAL 37 H VAL 37 -1.664 -18.481 31.794 297 HA VAL 37 HA VAL 37 1.085 -17.594 31.516 298 HB VAL 37 HB VAL 37 -1.380 -16.780 29.951 299 HG11 VAL 37 1HG1 VAL 37 1.549 -16.392 29.313 300 HG12 VAL 37 2HG1 VAL 37 0.401 -15.126 29.752 301 HG13 VAL 37 3HG1 VAL 37 0.207 -16.009 28.237 302 HG21 VAL 37 3HG2 VAL 37 0.727 -18.853 29.324 303 HG22 VAL 37 1HG2 VAL 37 -0.573 -18.354 28.241 304 HG23 VAL 37 2HG2 VAL 37 -0.953 -19.172 29.758 305 H SER 38 H SER 38 1.884 -15.530 31.895 306 HA SER 38 HA SER 38 0.814 -13.975 33.939 307 HG SER 38 HG SER 38 3.309 -14.038 34.362 308 HB2 SER 38 2HB SER 38 2.716 -13.066 31.760 309 HB3 SER 38 1HB SER 38 2.446 -12.240 33.295 310 H THR 39 H THR 39 -0.296 -12.012 34.037 311 HA THR 39 HA THR 39 -2.451 -11.738 32.268 312 HB THR 39 HB THR 39 -1.386 -9.706 34.248 313 HG1 THR 39 HG1 THR 39 -3.434 -10.759 35.304 314 HG21 THR 39 3HG2 THR 39 -2.922 -8.653 32.650 315 HG22 THR 39 1HG2 THR 39 -3.682 -8.798 34.236 316 HG23 THR 39 2HG2 THR 39 -4.113 -9.920 32.946 317 H VAL 40 H VAL 40 0.601 -9.913 32.417 318 HA VAL 40 HA VAL 40 0.046 -7.990 30.451 319 HB VAL 40 HB VAL 40 2.712 -9.329 30.985 320 HG11 VAL 40 1HG1 VAL 40 2.713 -8.103 28.880 321 HG12 VAL 40 2HG1 VAL 40 3.686 -7.253 30.082 322 HG13 VAL 40 3HG1 VAL 40 2.065 -6.674 29.689 323 HG21 VAL 40 3HG2 VAL 40 1.507 -6.843 32.215 324 HG22 VAL 40 1HG2 VAL 40 3.141 -7.441 32.497 325 HG23 VAL 40 2HG2 VAL 40 1.752 -8.389 33.029 326 H ASP 41 H ASP 41 1.765 -11.097 30.008 327 HA ASP 41 HA ASP 41 1.806 -11.161 27.228 328 HB2 ASP 41 2HB ASP 41 1.546 -13.490 29.150 329 HB3 ASP 41 1HB ASP 41 2.065 -13.602 27.470 330 H GLY 42 H GLY 42 -0.763 -12.065 29.468 331 HA2 GLY 42 2HA GLY 42 -2.547 -13.308 27.692 332 HA3 GLY 42 1HA GLY 42 -3.000 -12.460 29.161 333 H ALA 43 H ALA 43 -2.302 -9.864 28.606 334 HA ALA 43 HA ALA 43 -4.393 -8.847 27.067 335 HB1 ALA 43 3HB ALA 43 -3.234 -6.698 27.182 336 HB2 ALA 43 1HB ALA 43 -1.751 -7.508 27.687 337 HB3 ALA 43 2HB ALA 43 -3.169 -7.526 28.737 338 H PHE 44 H PHE 44 -1.028 -9.475 26.157 339 HA PHE 44 HA PHE 44 -1.102 -8.591 23.495 340 HD1 PHE 44 HD1 PHE 44 0.496 -12.361 22.832 341 HD2 PHE 44 HD2 PHE 44 1.798 -8.315 22.499 342 HE1 PHE 44 HE1 PHE 44 1.572 -12.882 20.690 343 HE2 PHE 44 HE2 PHE 44 2.871 -8.842 20.351 344 HZ PHE 44 HZ PHE 44 2.757 -11.127 19.447 345 HB2 PHE 44 2HB PHE 44 0.983 -9.186 24.609 346 HB3 PHE 44 1HB PHE 44 0.465 -10.858 24.762 347 H LEU 45 H LEU 45 -1.736 -11.827 24.834 348 HA LEU 45 HA LEU 45 -2.355 -13.144 22.444 349 HG LEU 45 HG LEU 45 -0.849 -13.845 24.970 350 HB2 LEU 45 2HB LEU 45 -3.338 -13.664 25.251 351 HB3 LEU 45 1HB LEU 45 -3.526 -14.781 23.912 352 HD11 LEU 45 1HD1 LEU 45 -2.310 -16.436 25.493 353 HD12 LEU 45 2HD1 LEU 45 -2.016 -15.152 26.666 354 HD13 LEU 45 3HD1 LEU 45 -0.661 -16.057 25.993 355 HD21 LEU 45 3HD2 LEU 45 -0.786 -14.528 22.635 356 HD22 LEU 45 1HD2 LEU 45 -1.598 -16.043 23.035 357 HD23 LEU 45 2HD2 LEU 45 0.027 -15.722 23.643 358 H VAL 46 H VAL 46 -4.438 -11.257 24.604 359 HA VAL 46 HA VAL 46 -6.924 -11.838 23.460 360 HB VAL 46 HB VAL 46 -5.999 -9.208 24.658 361 HG11 VAL 46 1HG1 VAL 46 -8.399 -8.750 25.017 362 HG12 VAL 46 2HG1 VAL 46 -8.805 -10.206 24.106 363 HG13 VAL 46 3HG1 VAL 46 -7.993 -8.860 23.305 364 HG21 VAL 46 3HG2 VAL 46 -7.100 -10.009 26.701 365 HG22 VAL 46 1HG2 VAL 46 -5.801 -11.093 26.205 366 HG23 VAL 46 2HG2 VAL 46 -7.480 -11.532 25.900 367 H GLU 47 H GLU 47 -4.620 -9.236 22.590 368 HA GLU 47 HA GLU 47 -6.126 -8.297 20.365 369 HB2 GLU 47 2HB GLU 47 -3.151 -8.041 20.888 370 HB3 GLU 47 1HB GLU 47 -4.065 -7.110 19.710 371 HG2 GLU 47 2HG GLU 47 -4.353 -7.011 22.708 372 HG3 GLU 47 1HG GLU 47 -3.652 -5.774 21.667 373 H ALA 48 H ALA 48 -3.510 -10.660 20.696 374 HA ALA 48 HA ALA 48 -3.103 -11.264 17.985 375 HB1 ALA 48 3HB ALA 48 -2.863 -13.126 20.359 376 HB2 ALA 48 1HB ALA 48 -1.607 -12.035 19.773 377 HB3 ALA 48 2HB ALA 48 -2.147 -13.378 18.767 378 H LEU 49 H LEU 49 -5.555 -12.349 20.253 379 HA LEU 49 HA LEU 49 -6.726 -14.316 18.543 380 HG LEU 49 HG LEU 49 -9.700 -13.897 19.662 381 HB2 LEU 49 2HB LEU 49 -7.008 -14.352 20.975 382 HB3 LEU 49 1HB LEU 49 -7.872 -12.827 20.908 383 HD11 LEU 49 1HD1 LEU 49 -8.125 -16.452 20.000 384 HD12 LEU 49 2HD1 LEU 49 -8.407 -15.603 18.479 385 HD13 LEU 49 3HD1 LEU 49 -9.762 -16.318 19.353 386 HD21 LEU 49 3HD2 LEU 49 -10.562 -15.305 21.472 387 HD22 LEU 49 1HD2 LEU 49 -9.817 -13.835 22.095 388 HD23 LEU 49 2HD2 LEU 49 -8.952 -15.369 22.191 389 H LYS 50 H LYS 50 -7.435 -10.902 19.235 390 HA LYS 50 HA LYS 50 -9.728 -10.609 17.640 391 HB2 LYS 50 2HB LYS 50 -7.561 -8.591 18.271 392 HB3 LYS 50 1HB LYS 50 -9.122 -8.194 17.564 393 HG2 LYS 50 2HG LYS 50 -10.262 -8.968 19.564 394 HG3 LYS 50 1HG LYS 50 -8.720 -9.464 20.271 395 HD2 LYS 50 2HD LYS 50 -7.951 -7.133 20.219 396 HD3 LYS 50 1HD LYS 50 -9.493 -6.639 19.516 397 HE2 LYS 50 2HE LYS 50 -10.663 -7.372 21.521 398 HE3 LYS 50 1HE LYS 50 -9.147 -7.949 22.216 399 HZ1 LYS 50 3HZ LYS 50 -9.789 -5.131 21.541 400 HZ2 LYS 50 1HZ LYS 50 -8.317 -5.675 22.172 401 HZ3 LYS 50 2HZ LYS 50 -9.731 -5.790 23.093 402 H ARG 51 H ARG 51 -6.367 -10.812 16.762 403 HA ARG 51 HA ARG 51 -6.480 -9.794 14.143 404 HE ARG 51 HE ARG 51 -5.415 -7.717 15.982 405 HB2 ARG 51 2HB ARG 51 -4.741 -12.027 15.219 406 HB3 ARG 51 1HB ARG 51 -4.468 -11.159 13.717 407 HG2 ARG 51 2HG ARG 51 -4.424 -9.908 16.464 408 HG3 ARG 51 1HG ARG 51 -3.002 -10.413 15.555 409 HD2 ARG 51 2HD ARG 51 -3.113 -8.132 15.117 410 HD3 ARG 51 1HD ARG 51 -3.899 -8.837 13.708 411 HH11 ARG 51 1HH1 ARG 51 -4.935 -8.133 12.595 412 HH12 ARG 51 2HH1 ARG 51 -6.219 -7.056 12.175 413 HH21 ARG 51 1HH2 ARG 51 -7.070 -6.349 15.427 414 HH22 ARG 51 2HH2 ARG 51 -7.417 -6.054 13.758 415 H HIS 52 H HIS 52 -7.939 -12.579 15.442 416 HA HIS 52 HA HIS 52 -8.188 -13.921 12.834 417 HD1 HIS 52 HD1 HIS 52 -6.912 -16.916 13.324 418 HD2 HIS 52 HD2 HIS 52 -6.421 -14.496 16.664 419 HE1 HIS 52 HE1 HIS 52 -4.607 -17.408 14.181 420 HE2 HIS 52 HE2 HIS 52 -4.285 -15.836 16.114 421 HB2 HIS 52 2HB HIS 52 -9.010 -14.874 15.594 422 HB3 HIS 52 1HB HIS 52 -9.076 -15.824 14.115 423 HA PRO 53 HA PRO 53 -12.466 -12.514 12.475 424 HB2 PRO 53 2HB PRO 53 -13.390 -14.433 10.773 425 HB3 PRO 53 1HB PRO 53 -12.359 -13.098 10.243 426 HG2 PRO 53 2HG PRO 53 -11.600 -15.924 10.910 427 HG3 PRO 53 1HG PRO 53 -11.091 -14.928 9.532 428 HD2 PRO 53 2HD PRO 53 -9.519 -15.277 11.700 429 HD3 PRO 53 1HD PRO 53 -9.541 -13.751 10.792 430 H ASP 54 H ASP 54 -11.437 -15.582 13.643 431 HA ASP 54 HA ASP 54 -14.011 -16.604 14.417 432 HB2 ASP 54 2HB ASP 54 -11.418 -17.535 15.621 433 HB3 ASP 54 1HB ASP 54 -12.847 -18.474 15.199 434 H ALA 55 H ALA 55 -12.088 -14.165 15.663 435 HA ALA 55 HA ALA 55 -11.791 -14.564 18.354 436 HB1 ALA 55 3HB ALA 55 -12.528 -11.929 17.087 437 HB2 ALA 55 1HB ALA 55 -10.910 -12.633 17.098 438 HB3 ALA 55 2HB ALA 55 -11.681 -12.169 18.616 439 H THR 56 H THR 56 -14.679 -13.049 16.851 440 HA THR 56 HA THR 56 -16.111 -12.461 19.147 441 HB THR 56 HB THR 56 -16.860 -11.745 16.926 442 HG1 THR 56 HG1 THR 56 -19.176 -12.931 17.420 443 HG21 THR 56 3HG2 THR 56 -16.398 -13.792 15.664 444 HG22 THR 56 1HG2 THR 56 -18.072 -13.281 15.445 445 HG23 THR 56 2HG2 THR 56 -17.694 -14.624 16.524 446 H SER 57 H SER 57 -15.799 -15.575 17.533 447 HA SER 57 HA SER 57 -17.810 -16.877 19.164 448 HG SER 57 HG SER 57 -16.886 -19.897 17.336 449 HB2 SER 57 2HB SER 57 -17.503 -17.643 16.878 450 HB3 SER 57 1HB SER 57 -15.797 -17.976 17.178 451 H LYS 58 H LYS 58 -14.274 -16.777 19.001 452 HA LYS 58 HA LYS 58 -13.874 -18.778 21.023 453 HB2 LYS 58 2HB LYS 58 -11.927 -16.782 19.833 454 HB3 LYS 58 1HB LYS 58 -11.486 -18.147 20.852 455 HG2 LYS 58 2HG LYS 58 -12.773 -18.303 18.126 456 HG3 LYS 58 1HG LYS 58 -11.088 -18.662 18.515 457 HD2 LYS 58 2HD LYS 58 -11.832 -20.494 19.983 458 HD3 LYS 58 1HD LYS 58 -13.508 -20.147 19.564 459 HE2 LYS 58 2HE LYS 58 -13.016 -20.678 17.212 460 HE3 LYS 58 1HE LYS 58 -11.346 -21.043 17.651 461 HZ1 LYS 58 3HZ LYS 58 -12.187 -22.809 19.112 462 HZ2 LYS 58 1HZ LYS 58 -12.627 -23.059 17.496 463 HZ3 LYS 58 2HZ LYS 58 -13.763 -22.478 18.602 464 H ILE 59 H ILE 59 -14.398 -15.360 21.106 465 HA ILE 59 HA ILE 59 -13.394 -15.090 23.840 466 HB ILE 59 HB ILE 59 -14.735 -13.056 22.035 467 HG12 ILE 59 2HG1 ILE 59 -11.824 -13.371 22.833 468 HG13 ILE 59 1HG1 ILE 59 -12.498 -13.790 21.262 469 HG21 ILE 59 1HG2 ILE 59 -13.959 -11.389 23.689 470 HG22 ILE 59 2HG2 ILE 59 -13.427 -12.703 24.737 471 HG23 ILE 59 3HG2 ILE 59 -15.139 -12.512 24.364 472 HD11 ILE 59 3HD1 ILE 59 -11.358 -11.672 21.149 473 HD12 ILE 59 1HD1 ILE 59 -12.349 -11.031 22.459 474 HD13 ILE 59 2HD1 ILE 59 -13.088 -11.434 20.909 475 H GLY 60 H GLY 60 -16.508 -14.536 22.147 476 HA2 GLY 60 2HA GLY 60 -18.681 -14.739 22.853 477 HA3 GLY 60 1HA GLY 60 -18.090 -15.906 24.022 478 HA PRO 61 HA PRO 61 -19.593 -12.852 26.963 479 HB2 PRO 61 2HB PRO 61 -18.852 -14.152 29.235 480 HB3 PRO 61 1HB PRO 61 -20.254 -14.631 28.271 481 HG2 PRO 61 2HG PRO 61 -17.482 -15.785 28.281 482 HG3 PRO 61 1HG PRO 61 -19.043 -16.629 28.287 483 HD2 PRO 61 2HD PRO 61 -17.586 -16.313 26.032 484 HD3 PRO 61 1HD PRO 61 -19.363 -16.319 26.014 485 H GLY 62 H GLY 62 -16.282 -13.995 26.774 486 HA2 GLY 62 2HA GLY 62 -14.824 -11.814 26.883 487 HA3 GLY 62 1HA GLY 62 -15.340 -11.855 28.561 488 H VAL 63 H VAL 63 -12.680 -11.879 28.025 489 HA VAL 63 HA VAL 63 -11.790 -14.678 28.244 490 HB VAL 63 HB VAL 63 -10.135 -12.176 27.810 491 HG11 VAL 63 1HG1 VAL 63 -9.341 -15.090 27.672 492 HG12 VAL 63 2HG1 VAL 63 -8.870 -13.943 28.929 493 HG13 VAL 63 3HG1 VAL 63 -8.306 -13.719 27.273 494 HG21 VAL 63 3HG2 VAL 63 -10.987 -14.304 25.837 495 HG22 VAL 63 1HG2 VAL 63 -9.876 -12.975 25.500 496 HG23 VAL 63 2HG2 VAL 63 -11.564 -12.637 25.887 497 H ARG 64 H ARG 64 -11.437 -15.461 30.221 498 HA ARG 64 HA ARG 64 -11.170 -13.704 32.522 499 HE ARG 64 HE ARG 64 -11.333 -16.503 36.760 500 HB2 ARG 64 2HB ARG 64 -12.638 -15.661 32.638 501 HB3 ARG 64 1HB ARG 64 -11.277 -16.722 32.307 502 HG2 ARG 64 2HG ARG 64 -10.239 -16.022 34.429 503 HG3 ARG 64 1HG ARG 64 -11.647 -15.009 34.764 504 HD2 ARG 64 2HD ARG 64 -13.085 -16.983 34.740 505 HD3 ARG 64 1HD ARG 64 -11.697 -18.002 34.354 506 HH11 ARG 64 1HH1 ARG 64 -12.695 -19.366 35.427 507 HH12 ARG 64 2HH1 ARG 64 -12.687 -20.207 36.932 508 HH21 ARG 64 1HH2 ARG 64 -11.335 -17.589 38.697 509 HH22 ARG 64 2HH2 ARG 64 -11.950 -19.205 38.766 510 H ASN 65 H ASN 65 -9.259 -16.284 30.969 511 HA ASN 65 HA ASN 65 -6.780 -14.982 31.440 512 HB2 ASN 65 2HB ASN 65 -5.770 -16.607 33.005 513 HB3 ASN 65 1HB ASN 65 -7.105 -15.731 33.744 514 HD21 ASN 65 1HD2 ASN 65 -5.971 -18.807 32.641 515 HD22 ASN 65 2HD2 ASN 65 -7.263 -19.744 33.301 516 H PHE 66 H PHE 66 -4.892 -16.628 31.004 517 HA PHE 66 HA PHE 66 -5.760 -18.545 28.928 518 HD1 PHE 66 HD1 PHE 66 -4.753 -14.793 28.791 519 HD2 PHE 66 HD2 PHE 66 -4.892 -17.968 25.950 520 HE1 PHE 66 HE1 PHE 66 -5.930 -13.325 27.207 521 HE2 PHE 66 HE2 PHE 66 -6.065 -16.498 24.367 522 HZ PHE 66 HZ PHE 66 -6.586 -14.176 24.994 523 HB2 PHE 66 2HB PHE 66 -3.299 -16.785 28.993 524 HB3 PHE 66 1HB PHE 66 -3.486 -18.133 27.879 525 H GLU 67 H GLU 67 -5.094 -20.601 29.136 526 HA GLU 67 HA GLU 67 -3.004 -21.216 31.140 527 HB2 GLU 67 2HB GLU 67 -5.279 -21.844 31.906 528 HB3 GLU 67 1HB GLU 67 -5.466 -22.862 30.487 529 HG2 GLU 67 2HG GLU 67 -3.696 -24.324 31.245 530 HG3 GLU 67 1HG GLU 67 -3.361 -23.258 32.611 531 H VAL 68 H VAL 68 -1.442 -22.708 30.556 532 HA VAL 68 HA VAL 68 -1.259 -23.245 27.698 533 HB VAL 68 HB VAL 68 0.746 -23.760 29.907 534 HG11 VAL 68 1HG1 VAL 68 1.073 -23.880 26.903 535 HG12 VAL 68 2HG1 VAL 68 1.124 -25.247 28.018 536 HG13 VAL 68 3HG1 VAL 68 2.380 -24.012 28.080 537 HG21 VAL 68 3HG2 VAL 68 1.905 -21.777 28.968 538 HG22 VAL 68 1HG2 VAL 68 0.325 -21.394 29.653 539 HG23 VAL 68 2HG2 VAL 68 0.524 -21.506 27.904 540 H ARG 69 H ARG 69 -1.473 -25.196 26.744 541 HA ARG 69 HA ARG 69 -1.297 -27.634 28.366 542 HE ARG 69 HE ARG 69 -6.551 -27.447 27.805 543 HB2 ARG 69 2HB ARG 69 -3.760 -26.651 27.849 544 HB3 ARG 69 1HB ARG 69 -3.516 -27.574 26.373 545 HG2 ARG 69 2HG ARG 69 -3.134 -29.596 27.689 546 HG3 ARG 69 1HG ARG 69 -3.332 -28.672 29.178 547 HD2 ARG 69 2HD ARG 69 -5.414 -29.262 27.074 548 HD3 ARG 69 1HD ARG 69 -5.394 -29.805 28.748 549 HH11 ARG 69 1HH1 ARG 69 -4.509 -28.421 30.426 550 HH12 ARG 69 2HH1 ARG 69 -5.079 -27.161 31.459 551 HH21 ARG 69 1HH2 ARG 69 -7.263 -25.878 29.158 552 HH22 ARG 69 2HH2 ARG 69 -6.594 -25.737 30.748 553 H SER 70 H SER 70 -1.785 -29.561 26.520 554 HA SER 70 HA SER 70 0.574 -29.396 24.895 555 HG SER 70 HG SER 70 -1.855 -32.619 25.421 556 HB2 SER 70 2HB SER 70 -0.018 -31.722 24.236 557 HB3 SER 70 1HB SER 70 -0.006 -31.497 25.986 558 H ALA 71 H ALA 71 0.566 -30.104 22.590 559 HA ALA 71 HA ALA 71 -1.844 -29.342 21.079 560 HB1 ALA 71 3HB ALA 71 0.927 -28.317 20.448 561 HB2 ALA 71 1HB ALA 71 -0.394 -27.368 21.132 562 HB3 ALA 71 2HB ALA 71 -0.532 -28.023 19.499 563 H ASP 72 H ASP 72 1.456 -30.070 19.976 564 HA ASP 72 HA ASP 72 0.483 -32.285 18.357 565 HB2 ASP 72 2HB ASP 72 3.262 -31.100 18.658 566 HB3 ASP 72 1HB ASP 72 2.832 -32.371 17.519 567 H TYR 73 H TYR 73 2.810 -33.914 18.430 568 HA TYR 73 HA TYR 73 2.222 -35.708 20.468 569 HD1 TYR 73 HD1 TYR 73 2.669 -38.374 19.182 570 HD2 TYR 73 HD2 TYR 73 3.670 -35.018 16.753 571 HE1 TYR 73 HE1 TYR 73 1.484 -39.395 17.287 572 HE2 TYR 73 HE2 TYR 73 2.486 -36.036 14.853 573 HH TYR 73 HH TYR 73 1.796 -38.289 14.102 574 HB2 TYR 73 2HB TYR 73 4.783 -35.387 18.889 575 HB3 TYR 73 1HB TYR 73 4.392 -36.788 19.882 576 H GLY 74 H GLY 74 4.508 -33.020 20.490 577 HA2 GLY 74 2HA GLY 74 4.708 -33.304 23.397 578 HA3 GLY 74 1HA GLY 74 6.211 -33.403 22.497 579 H THR 75 H THR 75 3.584 -31.239 21.561 580 HA THR 75 HA THR 75 5.298 -28.956 22.359 581 HB THR 75 HB THR 75 4.363 -27.654 20.530 582 HG1 THR 75 HG1 THR 75 2.968 -28.761 19.007 583 HG21 THR 75 3HG2 THR 75 6.344 -29.041 20.051 584 HG22 THR 75 1HG2 THR 75 5.318 -28.859 18.628 585 HG23 THR 75 2HG2 THR 75 5.291 -30.363 19.547 586 H GLN 76 H GLN 76 3.763 -26.832 22.226 587 HA GLN 76 HA GLN 76 1.598 -27.331 24.180 588 HB2 GLN 76 2HB GLN 76 3.568 -25.031 24.107 589 HB3 GLN 76 1HB GLN 76 2.272 -25.229 25.277 590 HG2 GLN 76 2HG GLN 76 3.336 -27.041 26.323 591 HG3 GLN 76 1HG GLN 76 4.441 -27.283 24.969 592 HE21 GLN 76 1HE2 GLN 76 3.693 -25.258 27.707 593 HE22 GLN 76 2HE2 GLN 76 5.236 -24.502 27.817 594 H CYS 77 H CYS 77 0.048 -25.490 24.380 595 HA CYS 77 HA CYS 77 -0.084 -23.544 22.228 596 HG CYS 77 HG CYS 77 0.069 -25.530 20.389 597 HB2 CYS 77 2HB CYS 77 -2.114 -25.746 22.516 598 HB3 CYS 77 1HB CYS 77 -2.606 -24.171 21.902 599 H PHE 78 H PHE 78 -1.523 -21.789 22.667 600 HA PHE 78 HA PHE 78 -2.030 -21.323 25.479 601 HD1 PHE 78 HD2 PHE 78 -0.880 -18.887 26.241 602 HD2 PHE 78 HD1 PHE 78 -0.451 -19.460 22.039 603 HE1 PHE 78 HE2 PHE 78 1.434 -18.061 26.366 604 HE2 PHE 78 HE1 PHE 78 1.863 -18.633 22.162 605 HZ PHE 78 HZ PHE 78 2.809 -17.933 24.325 606 HB2 PHE 78 2HB PHE 78 -2.588 -19.618 23.037 607 HB3 PHE 78 1HB PHE 78 -2.856 -19.098 24.695 608 H TRP 79 H TRP 79 -3.863 -21.953 26.466 609 HA TRP 79 HA TRP 79 -6.306 -22.279 24.869 610 HD1 TRP 79 HD1 TRP 79 -3.603 -24.555 25.763 611 HE1 TRP 79 HE1 TRP 79 -3.852 -26.778 24.484 612 HE3 TRP 79 HE3 TRP 79 -8.686 -25.036 25.953 613 HZ2 TRP 79 HZ2 TRP 79 -5.928 -28.500 23.664 614 HZ3 TRP 79 HZ3 TRP 79 -9.728 -26.996 24.891 615 HH2 TRP 79 HH2 TRP 79 -8.376 -28.693 23.769 616 HB2 TRP 79 2HB TRP 79 -5.484 -23.382 27.555 617 HB3 TRP 79 1HB TRP 79 -7.143 -23.479 26.969 618 H ILE 80 H ILE 80 -7.953 -20.960 25.031 619 HA ILE 80 HA ILE 80 -7.788 -18.608 26.705 620 HB ILE 80 HB ILE 80 -9.983 -19.371 24.766 621 HG12 ILE 80 2HG1 ILE 80 -7.506 -17.719 24.187 622 HG13 ILE 80 1HG1 ILE 80 -7.714 -19.397 23.699 623 HG21 ILE 80 1HG2 ILE 80 -10.377 -16.945 24.653 624 HG22 ILE 80 2HG2 ILE 80 -9.110 -16.685 25.852 625 HG23 ILE 80 3HG2 ILE 80 -10.575 -17.562 26.293 626 HD11 ILE 80 3HD1 ILE 80 -9.637 -18.753 22.333 627 HD12 ILE 80 1HD1 ILE 80 -8.167 -17.901 21.859 628 HD13 ILE 80 2HD1 ILE 80 -9.400 -17.070 22.808 629 H LEU 81 H LEU 81 -8.349 -19.030 28.820 630 HA LEU 81 HA LEU 81 -10.746 -20.506 29.476 631 HG LEU 81 HG LEU 81 -8.424 -21.028 32.325 632 HB2 LEU 81 2HB LEU 81 -8.715 -18.986 31.081 633 HB3 LEU 81 1HB LEU 81 -10.244 -19.431 31.814 634 HD11 LEU 81 1HD1 LEU 81 -9.680 -23.069 31.804 635 HD12 LEU 81 2HD1 LEU 81 -10.682 -22.159 30.671 636 HD13 LEU 81 3HD1 LEU 81 -10.729 -21.779 32.395 637 HD21 LEU 81 3HD2 LEU 81 -7.576 -22.522 30.601 638 HD22 LEU 81 1HD2 LEU 81 -7.181 -20.847 30.221 639 HD23 LEU 81 2HD2 LEU 81 -8.499 -21.656 29.372 640 H ARG 82 H ARG 82 -12.625 -19.640 28.926 641 HA ARG 82 HA ARG 82 -12.974 -16.770 28.721 642 HE ARG 82 HE ARG 82 -13.855 -20.533 26.182 643 HB2 ARG 82 2HB ARG 82 -14.723 -19.149 28.100 644 HB3 ARG 82 1HB ARG 82 -15.329 -17.501 27.989 645 HG2 ARG 82 2HG ARG 82 -13.824 -16.953 26.248 646 HG3 ARG 82 1HG ARG 82 -12.862 -18.406 26.519 647 HD2 ARG 82 2HD ARG 82 -15.737 -18.458 25.601 648 HD3 ARG 82 1HD ARG 82 -14.360 -18.461 24.498 649 HH11 ARG 82 1HH1 ARG 82 -16.526 -19.684 24.177 650 HH12 ARG 82 2HH1 ARG 82 -16.967 -21.332 23.897 651 HH21 ARG 82 1HH2 ARG 82 -14.426 -22.642 25.783 652 HH22 ARG 82 2HH2 ARG 82 -15.788 -22.977 24.775 653 H THR 83 H THR 83 -14.571 -15.536 29.798 654 HA THR 83 HA THR 83 -14.785 -15.934 32.571 655 HB THR 83 HB THR 83 -16.461 -14.100 32.543 656 HG1 THR 83 HG1 THR 83 -17.178 -13.281 30.608 657 HG21 THR 83 3HG2 THR 83 -14.059 -13.621 30.761 658 HG22 THR 83 1HG2 THR 83 -14.074 -13.541 32.524 659 HG23 THR 83 2HG2 THR 83 -14.997 -12.369 31.580 660 H ASP 84 H ASP 84 -16.709 -17.166 30.001 661 HA ASP 84 HA ASP 84 -19.088 -17.880 31.225 662 HB2 ASP 84 2HB ASP 84 -18.828 -18.325 28.910 663 HB3 ASP 84 1HB ASP 84 -17.363 -19.263 29.169 664 H GLY 85 H GLY 85 -15.908 -19.363 31.500 665 HA2 GLY 85 2HA GLY 85 -15.499 -20.467 33.724 666 HA3 GLY 85 1HA GLY 85 -16.982 -21.359 33.404 667 H SER 86 H SER 86 -16.449 -21.710 30.569 668 HA SER 86 HA SER 86 -14.649 -23.995 30.782 669 HG SER 86 HG SER 86 -15.595 -25.681 28.515 670 HB2 SER 86 2HB SER 86 -16.770 -24.385 29.672 671 HB3 SER 86 1HB SER 86 -16.451 -23.086 28.520 672 H GLU 87 H GLU 87 -13.228 -24.469 28.850 673 HA GLU 87 HA GLU 87 -11.610 -22.072 28.303 674 HB2 GLU 87 2HB GLU 87 -9.739 -23.682 27.933 675 HB3 GLU 87 1HB GLU 87 -10.401 -23.710 29.561 676 HG2 GLU 87 2HG GLU 87 -11.723 -25.720 28.940 677 HG3 GLU 87 1HG GLU 87 -10.917 -25.716 27.371 678 H GLU 88 H GLU 88 -10.142 -22.506 26.274 679 HA GLU 88 HA GLU 88 -11.458 -23.706 23.999 680 HB2 GLU 88 2HB GLU 88 -12.705 -21.587 24.248 681 HB3 GLU 88 1HB GLU 88 -11.199 -20.687 24.225 682 HG2 GLU 88 2HG GLU 88 -12.353 -20.529 22.097 683 HG3 GLU 88 1HG GLU 88 -10.810 -21.360 21.917 684 H ARG 89 H ARG 89 -10.060 -23.245 21.949 685 HA ARG 89 HA ARG 89 -7.294 -22.528 22.650 686 HE ARG 89 HE ARG 89 -5.859 -26.007 19.954 687 HB2 ARG 89 2HB ARG 89 -6.377 -24.498 21.573 688 HB3 ARG 89 1HB ARG 89 -7.491 -24.986 22.844 689 HG2 ARG 89 2HG ARG 89 -9.217 -25.437 21.175 690 HG3 ARG 89 1HG ARG 89 -8.124 -24.922 19.893 691 HD2 ARG 89 2HD ARG 89 -7.693 -27.260 21.757 692 HD3 ARG 89 1HD ARG 89 -8.213 -27.366 20.076 693 HH11 ARG 89 1HH1 ARG 89 -6.810 -29.036 21.308 694 HH12 ARG 89 2HH1 ARG 89 -5.255 -29.749 21.058 695 HH21 ARG 89 1HH2 ARG 89 -3.860 -26.958 19.663 696 HH22 ARG 89 2HH2 ARG 89 -3.627 -28.599 20.148 697 H PHE 90 H PHE 90 -6.011 -21.794 20.934 698 HA PHE 90 HA PHE 90 -7.169 -21.842 18.239 699 HD1 PHE 90 HD1 PHE 90 -6.513 -19.445 21.518 700 HD2 PHE 90 HD2 PHE 90 -4.599 -18.390 17.858 701 HE1 PHE 90 HE1 PHE 90 -4.872 -18.098 22.763 702 HE2 PHE 90 HE2 PHE 90 -2.955 -17.052 19.097 703 HZ PHE 90 HZ PHE 90 -3.090 -16.902 21.556 704 HB2 PHE 90 2HB PHE 90 -6.634 -19.524 17.798 705 HB3 PHE 90 1HB PHE 90 -7.660 -19.604 19.221 706 H SER 91 H SER 91 -5.767 -23.015 17.080 707 HA SER 91 HA SER 91 -3.003 -23.246 17.849 708 HG SER 91 HG SER 91 -4.557 -26.233 16.671 709 HB2 SER 91 2HB SER 91 -4.510 -24.387 15.480 710 HB3 SER 91 1HB SER 91 -2.821 -24.744 15.838 711 H TYR 92 H TYR 92 -2.534 -20.946 17.658 712 HA TYR 92 HA TYR 92 -2.609 -19.386 15.387 713 HD1 TYR 92 HD1 TYR 92 -1.504 -20.421 19.192 714 HD2 TYR 92 HD2 TYR 92 1.473 -18.659 16.707 715 HE1 TYR 92 HE1 TYR 92 0.255 -21.363 20.632 716 HE2 TYR 92 HE2 TYR 92 3.234 -19.595 18.141 717 HH TYR 92 HH TYR 92 3.458 -20.365 20.520 718 HB2 TYR 92 2HB TYR 92 -0.810 -18.058 16.405 719 HB3 TYR 92 1HB TYR 92 -2.024 -18.519 17.590 720 H LYS 93 H LYS 93 -0.334 -21.929 16.145 721 HA LYS 93 HA LYS 93 1.832 -21.298 14.533 722 HB2 LYS 93 2HB LYS 93 2.315 -23.734 14.526 723 HB3 LYS 93 1HB LYS 93 1.932 -23.110 16.125 724 HG2 LYS 93 2HG LYS 93 -0.195 -24.113 16.136 725 HG3 LYS 93 1HG LYS 93 -0.160 -24.402 14.397 726 HD2 LYS 93 2HD LYS 93 1.722 -26.005 14.767 727 HD3 LYS 93 1HD LYS 93 1.509 -25.787 16.506 728 HE2 LYS 93 2HE LYS 93 -0.718 -26.697 16.404 729 HE3 LYS 93 1HE LYS 93 -0.668 -26.746 14.642 730 HZ1 LYS 93 3HZ LYS 93 0.997 -28.362 16.494 731 HZ2 LYS 93 1HZ LYS 93 1.142 -28.366 14.811 732 HZ3 LYS 93 2HZ LYS 93 -0.277 -28.924 15.536 733 H LYS 94 H LYS 94 -1.288 -22.594 13.531 734 HA LYS 94 HA LYS 94 -0.232 -22.947 10.788 735 HB2 LYS 94 2HB LYS 94 -2.700 -24.209 12.010 736 HB3 LYS 94 1HB LYS 94 -2.101 -24.487 10.381 737 HG2 LYS 94 2HG LYS 94 -0.738 -25.258 12.960 738 HG3 LYS 94 1HG LYS 94 -1.501 -26.343 11.801 739 HD2 LYS 94 2HD LYS 94 0.869 -24.579 11.147 740 HD3 LYS 94 1HD LYS 94 1.010 -26.253 11.681 741 HE2 LYS 94 2HE LYS 94 -0.454 -25.321 9.212 742 HE3 LYS 94 1HE LYS 94 1.154 -26.042 9.234 743 HZ1 LYS 94 3HZ LYS 94 0.082 -28.025 10.305 744 HZ2 LYS 94 1HZ LYS 94 -0.361 -27.749 8.695 745 HZ3 LYS 94 2HZ LYS 94 -1.418 -27.330 9.943 746 H CYS 95 H CYS 95 -1.295 -20.476 12.175 747 HA CYS 95 HA CYS 95 -3.580 -19.835 10.428 748 HG CYS 95 HG CYS 95 -3.835 -16.713 10.706 749 HB2 CYS 95 2HB CYS 95 -3.851 -19.361 12.829 750 HB3 CYS 95 1HB CYS 95 -2.432 -18.320 12.789 751 H VAL 96 H VAL 96 -1.168 -20.094 9.113 752 HA VAL 96 HA VAL 96 -0.090 -17.385 8.749 753 HB VAL 96 HB VAL 96 0.921 -20.021 7.649 754 HG11 VAL 96 1HG1 VAL 96 2.985 -18.760 7.131 755 HG12 VAL 96 2HG1 VAL 96 2.178 -17.270 7.621 756 HG13 VAL 96 3HG1 VAL 96 1.590 -18.171 6.224 757 HG21 VAL 96 3HG2 VAL 96 1.941 -18.377 9.973 758 HG22 VAL 96 1HG2 VAL 96 2.688 -19.843 9.336 759 HG23 VAL 96 2HG2 VAL 96 1.094 -19.921 10.088 760 H LEU 97 H LEU 97 -0.545 -20.037 6.426 761 HA LEU 97 HA LEU 97 -2.400 -18.728 4.736 762 HG LEU 97 HG LEU 97 -0.422 -16.753 2.271 763 HB2 LEU 97 2HB LEU 97 -0.153 -17.378 4.541 764 HB3 LEU 97 1HB LEU 97 0.390 -18.734 3.578 765 HD11 LEU 97 1HD1 LEU 97 -0.332 -18.966 1.243 766 HD12 LEU 97 2HD1 LEU 97 -1.679 -18.013 0.622 767 HD13 LEU 97 3HD1 LEU 97 -1.972 -19.294 1.796 768 HD21 LEU 97 3HD2 LEU 97 -2.841 -16.387 2.076 769 HD22 LEU 97 1HD2 LEU 97 -2.251 -16.062 3.706 770 HD23 LEU 97 2HD2 LEU 97 -3.117 -17.561 3.364 771 H GLU 98 H GLU 98 -3.013 -20.101 2.994 772 HA GLU 98 HA GLU 98 -2.802 -22.811 3.241 773 HB2 GLU 98 2HB GLU 98 -3.210 -21.154 0.748 774 HB3 GLU 98 1HB GLU 98 -3.374 -22.907 0.766 775 HG2 GLU 98 2HG GLU 98 -5.191 -22.800 2.310 776 HG3 GLU 98 1HG GLU 98 -4.941 -21.078 2.576 777 H HIS 99 H HIS 99 -1.233 -24.221 3.107 778 HA HIS 99 HA HIS 99 1.426 -23.592 2.867 779 HD1 HIS 99 HD1 HIS 99 -1.844 -26.340 3.361 780 HD2 HIS 99 HD2 HIS 99 1.049 -27.654 0.681 781 HE1 HIS 99 HE1 HIS 99 -2.969 -28.083 1.955 782 HE2 HIS 99 HE2 HIS 99 -1.264 -28.707 0.221 783 HB2 HIS 99 2HB HIS 99 1.864 -26.013 2.779 784 HB3 HIS 99 1HB HIS 99 0.619 -25.622 3.960 785 H HIS 100 H HIS 100 3.038 -23.710 1.351 786 HA HIS 100 HA HIS 100 2.334 -24.571 -1.390 787 HD1 HIS 100 HD1 HIS 100 3.055 -20.599 0.534 788 HD2 HIS 100 HD2 HIS 100 6.361 -22.652 -0.927 789 HE1 HIS 100 HE1 HIS 100 5.043 -19.576 1.674 790 HE2 HIS 100 HE2 HIS 100 7.033 -20.724 0.661 791 HB2 HIS 100 2HB HIS 100 3.817 -22.810 -2.286 792 HB3 HIS 100 1HB HIS 100 2.476 -22.132 -1.373 793 H HIS 101 H HIS 101 3.856 -25.594 1.124 794 HA HIS 101 HA HIS 101 5.739 -27.209 -0.289 795 HD1 HIS 101 HD1 HIS 101 8.119 -27.024 3.006 796 HD2 HIS 101 HD2 HIS 101 9.108 -26.755 -1.024 797 HE1 HIS 101 HE1 HIS 101 10.248 -28.326 2.742 798 HE2 HIS 101 HE2 HIS 101 10.926 -27.977 0.351 799 HB2 HIS 101 2HB HIS 101 7.072 -25.134 -0.082 800 HB3 HIS 101 1HB HIS 101 6.832 -25.151 1.661 801 H HIS 102 H HIS 102 6.345 -29.043 0.968 802 HA HIS 102 HA HIS 102 5.696 -29.101 3.801 803 HD1 HIS 102 HD1 HIS 102 4.641 -33.066 3.349 804 HD2 HIS 102 HD2 HIS 102 2.919 -29.888 5.401 805 HE1 HIS 102 HE1 HIS 102 3.878 -34.015 5.538 806 HE2 HIS 102 HE2 HIS 102 2.678 -32.120 6.680 807 HB2 HIS 102 2HB HIS 102 3.520 -29.566 2.677 808 HB3 HIS 102 1HB HIS 102 4.252 -30.964 1.896 809 H HIS 103 H HIS 103 7.462 -30.006 4.649 810 HA HIS 103 HA HIS 103 9.058 -31.981 3.317 811 HD1 HIS 103 HD1 HIS 103 9.286 -33.161 7.453 812 HD2 HIS 103 HD2 HIS 103 8.241 -29.175 6.901 813 HE1 HIS 103 HE1 HIS 103 8.171 -32.453 9.587 814 HE2 HIS 103 HE2 HIS 103 7.613 -30.021 9.261 815 HB2 HIS 103 2HB HIS 103 10.355 -32.067 5.360 816 HB3 HIS 103 1HB HIS 103 9.954 -30.386 5.028 817 H HIS 104 H HIS 104 9.156 -34.203 3.650 818 HA HIS 104 HA HIS 104 6.819 -35.449 4.874 819 HD1 HIS 104 HD1 HIS 104 9.135 -38.871 4.828 820 HD2 HIS 104 HD2 HIS 104 5.466 -37.930 3.126 821 HE1 HIS 104 HE1 HIS 104 7.723 -40.927 5.102 822 HE2 HIS 104 HE2 HIS 104 5.537 -40.366 3.991 823 HB2 HIS 104 2HB HIS 104 7.642 -36.224 2.665 824 HB3 HIS 104 1HB HIS 104 9.156 -36.714 3.414 Start of MODEL 8 1 HA MET 1 HA MET 1 1.305 -0.256 -0.592 2 H1 MET 1 1H MET 1 3.288 1.102 -0.442 3 H2 MET 1 2H MET 1 4.169 -0.038 -1.321 4 H3 MET 1 3H MET 1 3.563 -0.435 0.206 5 HB2 MET 1 2HB MET 1 2.659 0.361 -3.230 6 HB3 MET 1 1HB MET 1 0.959 -0.055 -3.078 7 HG2 MET 1 2HG MET 1 2.196 2.299 -1.669 8 HG3 MET 1 1HG MET 1 1.509 2.399 -3.287 9 HE1 MET 1 3HE MET 1 -0.789 2.070 0.680 10 HE2 MET 1 1HE MET 1 0.862 2.652 0.458 11 HE3 MET 1 2HE MET 1 0.504 0.930 0.313 12 H ALA 2 H ALA 2 1.454 -2.395 0.151 13 HA ALA 2 HA ALA 2 1.450 -4.408 -1.886 14 HB1 ALA 2 3HB ALA 2 3.329 -5.739 -1.101 15 HB2 ALA 2 1HB ALA 2 3.714 -4.516 0.112 16 HB3 ALA 2 2HB ALA 2 3.877 -4.141 -1.604 17 H LYS 3 H LYS 3 1.028 -6.599 -0.998 18 HA LYS 3 HA LYS 3 -0.793 -6.481 1.229 19 HB2 LYS 3 2HB LYS 3 -1.157 -8.887 0.771 20 HB3 LYS 3 1HB LYS 3 -1.346 -7.886 -0.662 21 HG2 LYS 3 2HG LYS 3 0.954 -8.528 -1.356 22 HG3 LYS 3 1HG LYS 3 1.023 -9.620 0.030 23 HD2 LYS 3 2HD LYS 3 -0.834 -10.908 -0.834 24 HD3 LYS 3 1HD LYS 3 -1.059 -9.761 -2.157 25 HE2 LYS 3 2HE LYS 3 0.096 -11.669 -3.027 26 HE3 LYS 3 1HE LYS 3 1.243 -10.334 -2.951 27 HZ1 LYS 3 3HZ LYS 3 1.051 -12.673 -1.141 28 HZ2 LYS 3 1HZ LYS 3 1.973 -11.306 -0.767 29 HZ3 LYS 3 2HZ LYS 3 2.344 -12.228 -2.131 30 H ALA 4 H ALA 4 2.546 -7.120 0.898 31 HA ALA 4 HA ALA 4 2.842 -8.771 3.233 32 HB1 ALA 4 3HB ALA 4 4.466 -8.850 1.396 33 HB2 ALA 4 1HB ALA 4 5.238 -8.440 2.928 34 HB3 ALA 4 2HB ALA 4 4.927 -7.182 1.731 35 H GLN 5 H GLN 5 1.935 -7.754 4.990 36 HA GLN 5 HA GLN 5 3.169 -5.218 5.872 37 HB2 GLN 5 2HB GLN 5 0.425 -6.379 6.364 38 HB3 GLN 5 1HB GLN 5 1.088 -5.126 7.404 39 HG2 GLN 5 2HG GLN 5 0.645 -4.883 4.431 40 HG3 GLN 5 1HG GLN 5 -0.393 -4.210 5.688 41 HE21 GLN 5 1HE2 GLN 5 0.427 -2.494 6.976 42 HE22 GLN 5 2HE2 GLN 5 1.731 -1.510 6.420 43 HA PRO 6 HA PRO 6 4.931 -7.280 9.408 44 HB2 PRO 6 2HB PRO 6 4.686 -5.346 11.334 45 HB3 PRO 6 1HB PRO 6 5.896 -5.292 10.048 46 HG2 PRO 6 2HG PRO 6 3.238 -3.907 10.202 47 HG3 PRO 6 1HG PRO 6 4.808 -3.260 9.685 48 HD2 PRO 6 2HD PRO 6 2.938 -4.021 7.905 49 HD3 PRO 6 1HD PRO 6 4.671 -4.254 7.592 50 H ILE 7 H ILE 7 4.277 -8.581 11.081 51 HA ILE 7 HA ILE 7 1.460 -8.901 11.514 52 HB ILE 7 HB ILE 7 3.847 -10.274 12.779 53 HG12 ILE 7 2HG1 ILE 7 2.974 -12.251 11.497 54 HG13 ILE 7 1HG1 ILE 7 1.773 -11.198 10.760 55 HG21 ILE 7 1HG2 ILE 7 2.059 -10.254 14.423 56 HG22 ILE 7 2HG2 ILE 7 2.253 -11.878 13.766 57 HG23 ILE 7 3HG2 ILE 7 0.916 -10.863 13.227 58 HD11 ILE 7 3HD1 ILE 7 3.652 -11.613 9.277 59 HD12 ILE 7 1HD1 ILE 7 4.759 -10.937 10.470 60 HD13 ILE 7 2HD1 ILE 7 3.549 -9.905 9.706 61 H GLU 8 H GLU 8 0.624 -7.106 12.500 62 HA GLU 8 HA GLU 8 1.835 -6.038 14.914 63 HB2 GLU 8 2HB GLU 8 0.960 -4.496 13.237 64 HB3 GLU 8 1HB GLU 8 -0.645 -5.198 13.398 65 HG2 GLU 8 2HG GLU 8 -0.760 -4.412 15.714 66 HG3 GLU 8 1HG GLU 8 0.856 -3.721 15.563 67 H ILE 9 H ILE 9 1.480 -7.093 16.758 68 HA ILE 9 HA ILE 9 -1.301 -7.844 17.434 69 HB ILE 9 HB ILE 9 1.219 -9.245 18.372 70 HG12 ILE 9 2HG1 ILE 9 -0.935 -10.221 16.469 71 HG13 ILE 9 1HG1 ILE 9 0.672 -9.692 15.984 72 HG21 ILE 9 1HG2 ILE 9 -0.312 -10.866 19.388 73 HG22 ILE 9 2HG2 ILE 9 -1.691 -9.905 18.856 74 HG23 ILE 9 3HG2 ILE 9 -0.567 -9.250 20.047 75 HD11 ILE 9 3HD1 ILE 9 1.664 -11.529 17.247 76 HD12 ILE 9 1HD1 ILE 9 0.513 -12.116 16.046 77 HD13 ILE 9 2HD1 ILE 9 0.055 -12.055 17.748 78 H ALA 10 H ALA 10 -2.094 -6.638 19.050 79 HA ALA 10 HA ALA 10 -2.271 -5.301 20.890 80 HB1 ALA 10 3HB ALA 10 -1.533 -7.374 21.988 81 HB2 ALA 10 1HB ALA 10 -0.973 -5.938 22.848 82 HB3 ALA 10 2HB ALA 10 0.143 -6.851 21.833 83 H GLY 11 H GLY 11 -0.779 -4.216 18.694 84 HA2 GLY 11 2HA GLY 11 0.178 -2.071 18.471 85 HA3 GLY 11 1HA GLY 11 0.761 -2.173 20.123 86 H HIS 12 H HIS 12 1.864 -4.924 19.521 87 HA HIS 12 HA HIS 12 4.500 -4.046 18.776 88 HD1 HIS 12 HD1 HIS 12 6.276 -6.064 21.316 89 HD2 HIS 12 HD2 HIS 12 2.203 -5.281 21.605 90 HE1 HIS 12 HE1 HIS 12 5.853 -5.595 23.740 91 HE2 HIS 12 HE2 HIS 12 3.431 -4.947 23.864 92 HB2 HIS 12 2HB HIS 12 3.442 -6.836 19.308 93 HB3 HIS 12 1HB HIS 12 5.141 -6.403 19.157 94 H GLU 13 H GLU 13 5.136 -3.791 16.712 95 HA GLU 13 HA GLU 13 3.811 -5.294 14.574 96 HB2 GLU 13 2HB GLU 13 5.804 -3.017 14.412 97 HB3 GLU 13 1HB GLU 13 4.968 -3.743 13.046 98 HG2 GLU 13 2HG GLU 13 2.828 -2.975 13.921 99 HG3 GLU 13 1HG GLU 13 3.637 -2.290 15.330 100 H PHE 14 H PHE 14 4.660 -7.269 14.249 101 HA PHE 14 HA PHE 14 7.523 -7.729 14.578 102 HD1 PHE 14 HD1 PHE 14 8.018 -9.635 16.499 103 HD2 PHE 14 HD2 PHE 14 3.824 -9.220 15.882 104 HE1 PHE 14 HE1 PHE 14 7.655 -9.691 18.931 105 HE2 PHE 14 HE2 PHE 14 3.458 -9.275 18.311 106 HZ PHE 14 HZ PHE 14 5.375 -9.513 19.840 107 HB2 PHE 14 2HB PHE 14 5.245 -9.648 14.043 108 HB3 PHE 14 1HB PHE 14 6.922 -10.127 14.289 109 H ALA 15 H ALA 15 8.931 -8.313 12.984 110 HA ALA 15 HA ALA 15 8.502 -7.355 10.376 111 HB1 ALA 15 3HB ALA 15 10.664 -8.390 9.834 112 HB2 ALA 15 1HB ALA 15 10.617 -9.275 11.359 113 HB3 ALA 15 2HB ALA 15 10.723 -7.514 11.364 114 H ARG 16 H ARG 16 8.188 -10.600 11.706 115 HA ARG 16 HA ARG 16 6.552 -11.415 9.479 116 HE ARG 16 HE ARG 16 11.771 -14.099 10.937 117 HB2 ARG 16 2HB ARG 16 7.890 -13.390 8.864 118 HB3 ARG 16 1HB ARG 16 8.755 -11.896 8.538 119 HG2 ARG 16 2HG ARG 16 10.091 -12.209 10.555 120 HG3 ARG 16 1HG ARG 16 9.201 -13.688 10.925 121 HD2 ARG 16 2HD ARG 16 9.984 -14.648 8.774 122 HD3 ARG 16 1HD ARG 16 10.943 -13.194 8.504 123 HH11 ARG 16 1HH1 ARG 16 11.549 -15.513 7.801 124 HH12 ARG 16 2HH1 ARG 16 12.893 -16.567 8.063 125 HH21 ARG 16 1HH2 ARG 16 13.496 -15.476 11.252 126 HH22 ARG 16 2HH2 ARG 16 13.965 -16.556 9.985 127 H LYS 17 H LYS 17 5.875 -13.847 9.823 128 HA LYS 17 HA LYS 17 4.634 -14.028 12.323 129 HB2 LYS 17 2HB LYS 17 3.776 -15.235 10.389 130 HB3 LYS 17 1HB LYS 17 5.212 -16.243 10.340 131 HG2 LYS 17 2HG LYS 17 3.345 -17.453 11.323 132 HG3 LYS 17 1HG LYS 17 4.625 -17.209 12.514 133 HD2 LYS 17 2HD LYS 17 3.369 -15.258 13.402 134 HD3 LYS 17 1HD LYS 17 2.065 -15.614 12.269 135 HE2 LYS 17 2HE LYS 17 3.056 -17.386 14.502 136 HE3 LYS 17 1HE LYS 17 1.531 -16.505 14.456 137 HZ1 LYS 17 3HZ LYS 17 2.332 -18.764 12.705 138 HZ2 LYS 17 1HZ LYS 17 0.917 -17.857 12.508 139 HZ3 LYS 17 2HZ LYS 17 1.142 -18.778 13.906 140 H ALA 18 H ALA 18 7.632 -15.559 11.182 141 HA ALA 18 HA ALA 18 8.219 -17.072 13.468 142 HB1 ALA 18 3HB ALA 18 10.169 -15.736 11.590 143 HB2 ALA 18 1HB ALA 18 9.417 -17.312 11.343 144 HB3 ALA 18 2HB ALA 18 10.530 -17.067 12.690 145 H ASP 19 H ASP 19 8.826 -13.667 12.766 146 HA ASP 19 HA ASP 19 10.406 -13.081 15.042 147 HB2 ASP 19 2HB ASP 19 10.218 -11.649 12.997 148 HB3 ASP 19 1HB ASP 19 8.585 -11.217 13.487 149 H ALA 20 H ALA 20 6.913 -12.973 14.437 150 HA ALA 20 HA ALA 20 6.131 -12.096 17.019 151 HB1 ALA 20 3HB ALA 20 3.905 -12.896 16.422 152 HB2 ALA 20 1HB ALA 20 4.577 -13.781 15.049 153 HB3 ALA 20 2HB ALA 20 4.633 -12.018 15.076 154 H LEU 21 H LEU 21 6.725 -15.308 15.652 155 HA LEU 21 HA LEU 21 5.882 -16.831 17.875 156 HG LEU 21 HG LEU 21 5.758 -17.237 14.756 157 HB2 LEU 21 2HB LEU 21 7.969 -17.454 15.775 158 HB3 LEU 21 1HB LEU 21 7.346 -18.620 16.928 159 HD11 LEU 21 1HD1 LEU 21 7.249 -18.973 13.909 160 HD12 LEU 21 2HD1 LEU 21 5.560 -19.463 13.785 161 HD13 LEU 21 3HD1 LEU 21 6.579 -20.125 15.065 162 HD21 LEU 21 3HD2 LEU 21 4.410 -17.584 16.767 163 HD22 LEU 21 1HD2 LEU 21 4.859 -19.290 16.778 164 HD23 LEU 21 2HD2 LEU 21 3.893 -18.638 15.451 165 H ALA 22 H ALA 22 8.891 -15.175 17.142 166 HA ALA 22 HA ALA 22 10.507 -16.280 19.157 167 HB1 ALA 22 3HB ALA 22 11.382 -14.909 17.320 168 HB2 ALA 22 1HB ALA 22 11.909 -14.300 18.888 169 HB3 ALA 22 2HB ALA 22 10.610 -13.484 18.015 170 H PHE 23 H PHE 23 7.929 -13.961 19.343 171 HA PHE 23 HA PHE 23 8.560 -13.265 22.110 172 HD1 PHE 23 HD1 PHE 23 8.270 -10.453 22.664 173 HD2 PHE 23 HD2 PHE 23 4.495 -12.353 22.118 174 HE1 PHE 23 HE1 PHE 23 7.380 -9.241 24.611 175 HE2 PHE 23 HE2 PHE 23 3.602 -11.140 24.063 176 HZ PHE 23 HZ PHE 23 5.045 -9.583 25.312 177 HB2 PHE 23 2HB PHE 23 7.653 -11.556 20.530 178 HB3 PHE 23 1HB PHE 23 6.165 -12.486 20.414 179 H MET 24 H MET 24 5.812 -14.729 20.344 180 HA MET 24 HA MET 24 4.335 -15.473 22.603 181 HB2 MET 24 2HB MET 24 4.321 -16.527 19.779 182 HB3 MET 24 1HB MET 24 3.191 -17.095 21.002 183 HG2 MET 24 2HG MET 24 2.390 -14.786 21.301 184 HG3 MET 24 1HG MET 24 3.485 -14.261 20.025 185 HE1 MET 24 3HE MET 24 3.337 -16.462 17.828 186 HE2 MET 24 1HE MET 24 3.161 -14.739 17.489 187 HE3 MET 24 2HE MET 24 1.991 -15.887 16.843 188 H LYS 25 H LYS 25 6.672 -17.449 20.728 189 HA LYS 25 HA LYS 25 6.153 -19.835 22.147 190 HB2 LYS 25 2HB LYS 25 7.326 -19.863 19.989 191 HB3 LYS 25 1HB LYS 25 8.709 -19.057 20.726 192 HG2 LYS 25 2HG LYS 25 9.067 -20.966 22.199 193 HG3 LYS 25 1HG LYS 25 7.652 -21.773 21.524 194 HD2 LYS 25 2HD LYS 25 8.747 -21.853 19.329 195 HD3 LYS 25 1HD LYS 25 10.161 -21.037 20.004 196 HE2 LYS 25 2HE LYS 25 9.093 -23.720 20.902 197 HE3 LYS 25 1HE LYS 25 10.473 -23.480 19.839 198 HZ1 LYS 25 3HZ LYS 25 10.258 -22.671 22.684 199 HZ2 LYS 25 1HZ LYS 25 11.533 -22.218 21.670 200 HZ3 LYS 25 2HZ LYS 25 11.280 -23.846 22.024 201 H VAL 26 H VAL 26 8.546 -17.262 22.703 202 HA VAL 26 HA VAL 26 9.879 -18.566 24.823 203 HB VAL 26 HB VAL 26 9.634 -15.585 24.350 204 HG11 VAL 26 1HG1 VAL 26 10.322 -16.054 26.631 205 HG12 VAL 26 2HG1 VAL 26 11.701 -15.450 25.711 206 HG13 VAL 26 3HG1 VAL 26 11.558 -17.175 26.058 207 HG21 VAL 26 3HG2 VAL 26 10.611 -16.756 22.436 208 HG22 VAL 26 1HG2 VAL 26 11.770 -17.556 23.498 209 HG23 VAL 26 2HG2 VAL 26 11.838 -15.807 23.274 210 H MET 27 H MET 27 7.063 -16.362 24.826 211 HA MET 27 HA MET 27 6.683 -16.273 27.616 212 HB2 MET 27 2HB MET 27 4.511 -16.321 25.497 213 HB3 MET 27 1HB MET 27 4.325 -15.774 27.158 214 HG2 MET 27 2HG MET 27 6.086 -14.026 26.625 215 HG3 MET 27 1HG MET 27 5.871 -14.483 24.937 216 HE1 MET 27 3HE MET 27 2.668 -15.186 25.042 217 HE2 MET 27 1HE MET 27 3.444 -14.348 23.698 218 HE3 MET 27 2HE MET 27 2.018 -13.652 24.463 219 H LEU 28 H LEU 28 5.380 -18.526 25.196 220 HA LEU 28 HA LEU 28 3.984 -20.282 26.817 221 HG LEU 28 HG LEU 28 4.583 -22.961 25.618 222 HB2 LEU 28 2HB LEU 28 4.107 -20.275 24.310 223 HB3 LEU 28 1HB LEU 28 5.685 -21.029 24.430 224 HD11 LEU 28 1HD1 LEU 28 2.056 -21.576 24.709 225 HD12 LEU 28 2HD1 LEU 28 2.572 -21.821 26.378 226 HD13 LEU 28 3HD1 LEU 28 2.157 -23.208 25.374 227 HD21 LEU 28 3HD2 LEU 28 3.654 -22.342 22.807 228 HD22 LEU 28 1HD2 LEU 28 3.671 -23.939 23.561 229 HD23 LEU 28 2HD2 LEU 28 5.186 -23.089 23.264 230 H ASN 29 H ASN 29 7.423 -20.419 25.916 231 HA ASN 29 HA ASN 29 8.048 -22.700 27.505 232 HB2 ASN 29 2HB ASN 29 9.909 -20.583 26.387 233 HB3 ASN 29 1HB ASN 29 10.390 -22.167 26.987 234 HD21 ASN 29 1HD2 ASN 29 8.020 -23.444 25.780 235 HD22 ASN 29 2HD2 ASN 29 8.373 -23.557 24.100 236 H ARG 30 H ARG 30 7.885 -19.297 28.171 237 HA ARG 30 HA ARG 30 9.513 -19.228 30.493 238 HE ARG 30 HE ARG 30 8.504 -16.020 33.808 239 HB2 ARG 30 2HB ARG 30 8.843 -17.229 29.177 240 HB3 ARG 30 1HB ARG 30 7.193 -17.428 29.738 241 HG2 ARG 30 2HG ARG 30 9.335 -17.167 31.789 242 HG3 ARG 30 1HG ARG 30 8.881 -15.730 30.875 243 HD2 ARG 30 2HD ARG 30 6.571 -15.967 31.589 244 HD3 ARG 30 1HD ARG 30 6.954 -17.477 32.420 245 HH11 ARG 30 1HH1 ARG 30 5.602 -14.784 32.399 246 HH12 ARG 30 2HH1 ARG 30 5.375 -13.622 33.654 247 HH21 ARG 30 1HH2 ARG 30 8.215 -14.508 35.374 248 HH22 ARG 30 2HH2 ARG 30 6.854 -13.442 35.307 249 H TYR 31 H TYR 31 6.110 -19.960 29.951 250 HA TYR 31 HA TYR 31 5.735 -20.513 32.817 251 HD1 TYR 31 HD1 TYR 31 3.473 -18.806 33.766 252 HD2 TYR 31 HD2 TYR 31 4.124 -18.444 29.572 253 HE1 TYR 31 HE1 TYR 31 3.191 -16.367 33.932 254 HE2 TYR 31 HE2 TYR 31 3.843 -16.013 29.732 255 HH TYR 31 HH TYR 31 3.102 -14.325 31.065 256 HB2 TYR 31 2HB TYR 31 3.715 -20.608 30.553 257 HB3 TYR 31 1HB TYR 31 3.356 -20.779 32.269 258 H ARG 32 H ARG 32 4.857 -22.599 33.478 259 HA ARG 32 HA ARG 32 6.030 -24.802 31.992 260 HE ARG 32 HE ARG 32 4.877 -23.879 36.335 261 HB2 ARG 32 2HB ARG 32 4.513 -24.759 34.613 262 HB3 ARG 32 1HB ARG 32 5.344 -26.157 33.946 263 HG2 ARG 32 2HG ARG 32 7.479 -25.124 34.228 264 HG3 ARG 32 1HG ARG 32 6.738 -23.571 34.629 265 HD2 ARG 32 2HD ARG 32 6.644 -26.113 36.256 266 HD3 ARG 32 1HD ARG 32 7.483 -24.611 36.663 267 HH11 ARG 32 1HH1 ARG 32 6.494 -26.155 38.343 268 HH12 ARG 32 2HH1 ARG 32 5.313 -26.037 39.598 269 HH21 ARG 32 1HH2 ARG 32 3.378 -23.740 37.909 270 HH22 ARG 32 2HH2 ARG 32 3.561 -24.672 39.359 271 HA PRO 33 HA PRO 33 2.352 -26.354 30.032 272 HB2 PRO 33 2HB PRO 33 2.868 -29.065 31.120 273 HB3 PRO 33 1HB PRO 33 2.806 -28.516 29.442 274 HG2 PRO 33 2HG PRO 33 5.133 -29.143 30.585 275 HG3 PRO 33 1HG PRO 33 5.009 -27.766 29.469 276 HD2 PRO 33 2HD PRO 33 5.066 -27.767 32.476 277 HD3 PRO 33 1HD PRO 33 5.941 -26.720 31.336 278 H GLY 34 H GLY 34 1.976 -25.482 32.927 279 HA2 GLY 34 2HA GLY 34 -0.719 -26.423 33.160 280 HA3 GLY 34 1HA GLY 34 0.320 -27.082 34.412 281 H ASP 35 H ASP 35 0.641 -23.832 33.046 282 HA ASP 35 HA ASP 35 -0.342 -22.712 35.604 283 HB2 ASP 35 2HB ASP 35 2.115 -21.907 34.038 284 HB3 ASP 35 1HB ASP 35 1.386 -20.873 35.262 285 H ILE 36 H ILE 36 -1.026 -20.455 35.508 286 HA ILE 36 HA ILE 36 -2.649 -19.944 33.165 287 HB ILE 36 HB ILE 36 -2.370 -18.364 35.738 288 HG12 ILE 36 2HG1 ILE 36 -3.270 -20.628 36.098 289 HG13 ILE 36 1HG1 ILE 36 -4.502 -19.403 36.377 290 HG21 ILE 36 1HG2 ILE 36 -4.439 -18.134 33.544 291 HG22 ILE 36 2HG2 ILE 36 -3.191 -16.949 33.932 292 HG23 ILE 36 3HG2 ILE 36 -4.480 -17.281 35.088 293 HD11 ILE 36 3HD1 ILE 36 -5.441 -19.860 34.163 294 HD12 ILE 36 1HD1 ILE 36 -5.420 -21.292 35.190 295 HD13 ILE 36 2HD1 ILE 36 -4.219 -21.108 33.913 296 H VAL 37 H VAL 37 -2.564 -18.101 31.862 297 HA VAL 37 HA VAL 37 0.054 -16.902 31.507 298 HB VAL 37 HB VAL 37 -2.526 -16.517 29.964 299 HG11 VAL 37 1HG1 VAL 37 -1.131 -15.553 28.199 300 HG12 VAL 37 2HG1 VAL 37 0.288 -15.692 29.239 301 HG13 VAL 37 3HG1 VAL 37 -1.030 -14.609 29.685 302 HG21 VAL 37 3HG2 VAL 37 -0.110 -18.223 29.334 303 HG22 VAL 37 1HG2 VAL 37 -1.521 -18.007 28.299 304 HG23 VAL 37 2HG2 VAL 37 -1.686 -18.815 29.858 305 H SER 38 H SER 38 0.518 -14.655 31.643 306 HA SER 38 HA SER 38 -0.805 -13.317 33.799 307 HG SER 38 HG SER 38 2.244 -12.022 31.484 308 HB2 SER 38 2HB SER 38 0.904 -11.684 33.659 309 HB3 SER 38 1HB SER 38 1.689 -13.186 33.171 310 H THR 39 H THR 39 -1.206 -10.834 33.535 311 HA THR 39 HA THR 39 -3.469 -10.403 31.934 312 HB THR 39 HB THR 39 -1.642 -8.258 33.049 313 HG1 THR 39 HG1 THR 39 -3.854 -9.595 34.273 314 HG21 THR 39 3HG2 THR 39 -3.328 -7.423 31.458 315 HG22 THR 39 1HG2 THR 39 -3.667 -6.879 33.102 316 HG23 THR 39 2HG2 THR 39 -4.599 -8.202 32.401 317 H VAL 40 H VAL 40 -0.165 -9.100 31.504 318 HA VAL 40 HA VAL 40 -0.668 -7.774 29.067 319 HB VAL 40 HB VAL 40 1.960 -8.825 30.152 320 HG11 VAL 40 1HG1 VAL 40 2.118 -8.390 27.750 321 HG12 VAL 40 2HG1 VAL 40 3.030 -7.190 28.665 322 HG13 VAL 40 3HG1 VAL 40 1.456 -6.771 27.989 323 HG21 VAL 40 3HG2 VAL 40 0.685 -6.090 30.363 324 HG22 VAL 40 1HG2 VAL 40 2.295 -6.521 30.942 325 HG23 VAL 40 2HG2 VAL 40 0.869 -7.258 31.673 326 H ASP 41 H ASP 41 1.060 -10.864 29.616 327 HA ASP 41 HA ASP 41 1.366 -11.694 26.999 328 HB2 ASP 41 2HB ASP 41 0.752 -13.399 29.430 329 HB3 ASP 41 1HB ASP 41 1.401 -14.005 27.912 330 H GLY 42 H GLY 42 -1.437 -12.199 29.141 331 HA2 GLY 42 2HA GLY 42 -3.012 -13.735 27.385 332 HA3 GLY 42 1HA GLY 42 -3.619 -12.768 28.720 333 H ALA 43 H ALA 43 -3.111 -10.207 27.989 334 HA ALA 43 HA ALA 43 -5.127 -9.566 26.161 335 HB1 ALA 43 3HB ALA 43 -4.260 -7.283 26.238 336 HB2 ALA 43 1HB ALA 43 -2.760 -7.867 26.967 337 HB3 ALA 43 2HB ALA 43 -4.282 -8.002 27.849 338 H PHE 44 H PHE 44 -1.647 -9.924 25.695 339 HA PHE 44 HA PHE 44 -1.451 -9.145 23.007 340 HD1 PHE 44 HD1 PHE 44 0.602 -12.561 22.390 341 HD2 PHE 44 HD2 PHE 44 1.519 -8.409 22.703 342 HE1 PHE 44 HE1 PHE 44 2.048 -12.730 20.414 343 HE2 PHE 44 HE2 PHE 44 2.968 -8.581 20.724 344 HZ PHE 44 HZ PHE 44 3.234 -10.743 19.579 345 HB2 PHE 44 2HB PHE 44 0.475 -9.582 24.533 346 HB3 PHE 44 1HB PHE 44 0.131 -11.304 24.440 347 H LEU 45 H LEU 45 -2.010 -12.371 24.418 348 HA LEU 45 HA LEU 45 -2.325 -13.811 22.036 349 HG LEU 45 HG LEU 45 -1.057 -14.411 24.713 350 HB2 LEU 45 2HB LEU 45 -3.553 -14.270 24.757 351 HB3 LEU 45 1HB LEU 45 -3.608 -15.432 23.445 352 HD11 LEU 45 1HD1 LEU 45 -2.493 -17.034 25.117 353 HD12 LEU 45 2HD1 LEU 45 -2.352 -15.735 26.302 354 HD13 LEU 45 3HD1 LEU 45 -0.913 -16.607 25.774 355 HD21 LEU 45 3HD2 LEU 45 -1.569 -16.639 22.734 356 HD22 LEU 45 1HD2 LEU 45 -0.017 -16.286 23.499 357 HD23 LEU 45 2HD2 LEU 45 -0.748 -15.112 22.404 358 H VAL 46 H VAL 46 -4.713 -11.983 23.924 359 HA VAL 46 HA VAL 46 -7.038 -12.674 22.536 360 HB VAL 46 HB VAL 46 -6.333 -9.971 23.724 361 HG11 VAL 46 1HG1 VAL 46 -8.752 -9.586 23.842 362 HG12 VAL 46 2HG1 VAL 46 -9.042 -11.117 23.016 363 HG13 VAL 46 3HG1 VAL 46 -8.220 -9.803 22.174 364 HG21 VAL 46 3HG2 VAL 46 -7.595 -10.753 25.689 365 HG22 VAL 46 1HG2 VAL 46 -6.186 -11.764 25.369 366 HG23 VAL 46 2HG2 VAL 46 -7.796 -12.330 24.925 367 H GLU 47 H GLU 47 -4.726 -10.038 21.853 368 HA GLU 47 HA GLU 47 -5.976 -9.116 19.490 369 HB2 GLU 47 2HB GLU 47 -3.140 -8.906 20.504 370 HB3 GLU 47 1HB GLU 47 -3.641 -8.186 18.980 371 HG2 GLU 47 2HG GLU 47 -4.827 -7.552 21.679 372 HG3 GLU 47 1HG GLU 47 -3.628 -6.577 20.832 373 H ALA 48 H ALA 48 -3.248 -11.378 19.942 374 HA ALA 48 HA ALA 48 -2.701 -11.977 17.288 375 HB1 ALA 48 3HB ALA 48 -2.623 -13.913 19.610 376 HB2 ALA 48 1HB ALA 48 -1.350 -12.764 19.198 377 HB3 ALA 48 2HB ALA 48 -1.751 -14.072 18.084 378 H LEU 49 H LEU 49 -5.138 -13.387 19.432 379 HA LEU 49 HA LEU 49 -6.209 -15.248 17.605 380 HG LEU 49 HG LEU 49 -9.237 -14.961 18.497 381 HB2 LEU 49 2HB LEU 49 -6.646 -15.310 20.026 382 HB3 LEU 49 1HB LEU 49 -7.557 -13.816 19.906 383 HD11 LEU 49 1HD1 LEU 49 -9.206 -17.399 18.290 384 HD12 LEU 49 2HD1 LEU 49 -7.618 -17.447 19.058 385 HD13 LEU 49 3HD1 LEU 49 -7.818 -16.663 17.490 386 HD21 LEU 49 3HD2 LEU 49 -9.607 -14.820 20.889 387 HD22 LEU 49 1HD2 LEU 49 -8.676 -16.297 21.147 388 HD23 LEU 49 2HD2 LEU 49 -10.208 -16.359 20.274 389 H LYS 50 H LYS 50 -7.373 -11.974 18.504 390 HA LYS 50 HA LYS 50 -9.570 -11.900 16.783 391 HB2 LYS 50 2HB LYS 50 -7.933 -9.655 17.962 392 HB3 LYS 50 1HB LYS 50 -9.408 -9.385 17.039 393 HG2 LYS 50 2HG LYS 50 -10.612 -10.837 18.676 394 HG3 LYS 50 1HG LYS 50 -9.135 -10.882 19.641 395 HD2 LYS 50 2HD LYS 50 -9.211 -8.463 19.920 396 HD3 LYS 50 1HD LYS 50 -10.631 -8.366 18.874 397 HE2 LYS 50 2HE LYS 50 -11.880 -9.764 20.490 398 HE3 LYS 50 1HE LYS 50 -10.468 -9.770 21.545 399 HZ1 LYS 50 3HZ LYS 50 -12.009 -7.370 20.723 400 HZ2 LYS 50 1HZ LYS 50 -10.646 -7.364 21.725 401 HZ3 LYS 50 2HZ LYS 50 -12.069 -8.116 22.237 402 H ARG 51 H ARG 51 -6.217 -11.423 15.975 403 HA ARG 51 HA ARG 51 -6.471 -9.958 13.599 404 HE ARG 51 HE ARG 51 -6.091 -8.411 13.941 405 HB2 ARG 51 2HB ARG 51 -4.524 -12.196 14.214 406 HB3 ARG 51 1HB ARG 51 -4.367 -11.069 12.877 407 HG2 ARG 51 2HG ARG 51 -4.328 -10.311 15.796 408 HG3 ARG 51 1HG ARG 51 -2.906 -10.518 14.778 409 HD2 ARG 51 2HD ARG 51 -3.326 -8.184 14.892 410 HD3 ARG 51 1HD ARG 51 -3.840 -8.709 13.292 411 HH11 ARG 51 1HH1 ARG 51 -3.858 -7.418 16.360 412 HH12 ARG 51 2HH1 ARG 51 -5.037 -6.513 17.243 413 HH21 ARG 51 1HH2 ARG 51 -7.598 -7.258 15.067 414 HH22 ARG 51 2HH2 ARG 51 -7.144 -6.431 16.517 415 H HIS 52 H HIS 52 -7.616 -13.082 14.318 416 HA HIS 52 HA HIS 52 -7.764 -13.926 11.511 417 HD1 HIS 52 HD1 HIS 52 -6.172 -14.876 15.133 418 HD2 HIS 52 HD2 HIS 52 -5.980 -16.863 11.488 419 HE1 HIS 52 HE1 HIS 52 -3.822 -15.732 14.955 420 HE2 HIS 52 HE2 HIS 52 -3.800 -17.101 12.851 421 HB2 HIS 52 2HB HIS 52 -8.500 -15.419 14.045 422 HB3 HIS 52 1HB HIS 52 -8.480 -16.097 12.419 423 HA PRO 53 HA PRO 53 -11.966 -12.565 11.054 424 HB2 PRO 53 2HB PRO 53 -12.853 -14.399 9.209 425 HB3 PRO 53 1HB PRO 53 -11.838 -13.010 8.811 426 HG2 PRO 53 2HG PRO 53 -11.043 -15.864 9.281 427 HG3 PRO 53 1HG PRO 53 -10.494 -14.746 8.017 428 HD2 PRO 53 2HD PRO 53 -8.994 -15.255 10.190 429 HD3 PRO 53 1HD PRO 53 -9.040 -13.636 9.460 430 H ASP 54 H ASP 54 -11.429 -16.027 11.633 431 HA ASP 54 HA ASP 54 -14.154 -16.429 12.560 432 HB2 ASP 54 2HB ASP 54 -11.804 -18.339 12.503 433 HB3 ASP 54 1HB ASP 54 -13.482 -18.771 12.829 434 H ALA 55 H ALA 55 -11.647 -14.982 14.011 435 HA ALA 55 HA ALA 55 -11.212 -16.335 16.426 436 HB1 ALA 55 3HB ALA 55 -11.112 -13.359 15.951 437 HB2 ALA 55 1HB ALA 55 -9.805 -14.495 15.613 438 HB3 ALA 55 2HB ALA 55 -10.341 -14.237 17.274 439 H THR 56 H THR 56 -13.490 -13.676 15.726 440 HA THR 56 HA THR 56 -14.622 -13.268 18.185 441 HB THR 56 HB THR 56 -15.283 -11.897 16.317 442 HG1 THR 56 HG1 THR 56 -17.798 -12.706 16.621 443 HG21 THR 56 3HG2 THR 56 -16.794 -12.714 14.555 444 HG22 THR 56 1HG2 THR 56 -16.705 -14.342 15.235 445 HG23 THR 56 2HG2 THR 56 -15.265 -13.591 14.547 446 H SER 57 H SER 57 -15.247 -15.973 16.026 447 HA SER 57 HA SER 57 -17.538 -17.050 17.253 448 HG SER 57 HG SER 57 -16.456 -20.234 15.955 449 HB2 SER 57 2HB SER 57 -16.738 -17.824 15.065 450 HB3 SER 57 1HB SER 57 -15.289 -18.490 15.815 451 H LYS 58 H LYS 58 -14.086 -17.689 17.859 452 HA LYS 58 HA LYS 58 -14.752 -19.407 20.126 453 HB2 LYS 58 2HB LYS 58 -12.099 -18.713 18.846 454 HB3 LYS 58 1HB LYS 58 -12.278 -19.794 20.224 455 HG2 LYS 58 2HG LYS 58 -13.463 -20.209 17.476 456 HG3 LYS 58 1HG LYS 58 -12.067 -21.056 18.151 457 HD2 LYS 58 2HD LYS 58 -13.454 -22.064 19.864 458 HD3 LYS 58 1HD LYS 58 -14.850 -21.124 19.335 459 HE2 LYS 58 2HE LYS 58 -14.991 -23.413 18.520 460 HE3 LYS 58 1HE LYS 58 -14.816 -22.284 17.178 461 HZ1 LYS 58 3HZ LYS 58 -13.432 -24.340 17.054 462 HZ2 LYS 58 1HZ LYS 58 -12.537 -23.757 18.358 463 HZ3 LYS 58 2HZ LYS 58 -12.564 -22.896 16.906 464 H ILE 59 H ILE 59 -14.653 -16.200 19.803 465 HA ILE 59 HA ILE 59 -13.454 -15.686 22.433 466 HB ILE 59 HB ILE 59 -14.686 -13.766 20.436 467 HG12 ILE 59 2HG1 ILE 59 -11.795 -14.199 21.248 468 HG13 ILE 59 1HG1 ILE 59 -12.517 -14.759 19.745 469 HG21 ILE 59 1HG2 ILE 59 -13.796 -11.979 21.871 470 HG22 ILE 59 2HG2 ILE 59 -13.274 -13.188 23.044 471 HG23 ILE 59 3HG2 ILE 59 -14.992 -12.959 22.720 472 HD11 ILE 59 3HD1 ILE 59 -11.214 -12.755 19.397 473 HD12 ILE 59 1HD1 ILE 59 -12.184 -11.892 20.590 474 HD13 ILE 59 2HD1 ILE 59 -12.922 -12.442 19.085 475 H GLY 60 H GLY 60 -16.559 -15.043 20.774 476 HA2 GLY 60 2HA GLY 60 -18.726 -15.188 21.513 477 HA3 GLY 60 1HA GLY 60 -18.134 -16.153 22.852 478 HA PRO 61 HA PRO 61 -19.805 -12.588 25.063 479 HB2 PRO 61 2HB PRO 61 -19.683 -13.646 27.549 480 HB3 PRO 61 1HB PRO 61 -20.899 -14.151 26.367 481 HG2 PRO 61 2HG PRO 61 -18.286 -15.465 27.064 482 HG3 PRO 61 1HG PRO 61 -19.893 -16.206 26.911 483 HD2 PRO 61 2HD PRO 61 -18.078 -16.317 24.913 484 HD3 PRO 61 1HD PRO 61 -19.818 -16.175 24.584 485 H GLY 62 H GLY 62 -16.672 -14.073 25.649 486 HA2 GLY 62 2HA GLY 62 -15.154 -11.845 25.819 487 HA3 GLY 62 1HA GLY 62 -15.802 -11.960 27.446 488 H VAL 63 H VAL 63 -13.195 -11.989 27.392 489 HA VAL 63 HA VAL 63 -12.216 -14.754 27.221 490 HB VAL 63 HB VAL 63 -10.691 -12.169 27.637 491 HG11 VAL 63 1HG1 VAL 63 -9.685 -14.985 27.195 492 HG12 VAL 63 2HG1 VAL 63 -9.517 -14.028 28.667 493 HG13 VAL 63 3HG1 VAL 63 -8.679 -13.536 27.195 494 HG21 VAL 63 3HG2 VAL 63 -11.665 -12.315 25.401 495 HG22 VAL 63 1HG2 VAL 63 -10.965 -13.919 25.183 496 HG23 VAL 63 2HG2 VAL 63 -9.914 -12.510 25.323 497 H ARG 64 H ARG 64 -12.389 -15.951 29.023 498 HA ARG 64 HA ARG 64 -12.525 -14.806 31.652 499 HE ARG 64 HE ARG 64 -12.215 -16.875 35.611 500 HB2 ARG 64 2HB ARG 64 -13.616 -16.989 30.807 501 HB3 ARG 64 1HB ARG 64 -12.039 -17.726 31.043 502 HG2 ARG 64 2HG ARG 64 -13.429 -16.254 33.266 503 HG3 ARG 64 1HG ARG 64 -13.786 -17.943 32.918 504 HD2 ARG 64 2HD ARG 64 -11.466 -18.545 33.314 505 HD3 ARG 64 1HD ARG 64 -11.042 -16.851 33.549 506 HH11 ARG 64 1HH1 ARG 64 -12.022 -19.983 34.134 507 HH12 ARG 64 2HH1 ARG 64 -12.300 -20.817 35.620 508 HH21 ARG 64 1HH2 ARG 64 -12.566 -17.956 37.499 509 HH22 ARG 64 2HH2 ARG 64 -12.596 -19.687 37.503 510 H ASN 65 H ASN 65 -10.150 -17.000 30.092 511 HA ASN 65 HA ASN 65 -7.934 -15.395 30.844 512 HB2 ASN 65 2HB ASN 65 -6.852 -16.778 32.491 513 HB3 ASN 65 1HB ASN 65 -8.476 -16.431 33.070 514 HD21 ASN 65 1HD2 ASN 65 -6.303 -18.876 31.947 515 HD22 ASN 65 2HD2 ASN 65 -7.311 -20.230 32.318 516 H PHE 66 H PHE 66 -5.804 -16.639 30.462 517 HA PHE 66 HA PHE 66 -6.140 -18.784 28.454 518 HD1 PHE 66 HD1 PHE 66 -5.785 -14.958 28.031 519 HD2 PHE 66 HD2 PHE 66 -4.943 -18.331 25.568 520 HE1 PHE 66 HE1 PHE 66 -6.956 -13.881 26.156 521 HE2 PHE 66 HE2 PHE 66 -6.108 -17.255 23.689 522 HZ PHE 66 HZ PHE 66 -7.118 -15.027 23.981 523 HB2 PHE 66 2HB PHE 66 -4.047 -16.606 28.633 524 HB3 PHE 66 1HB PHE 66 -3.818 -18.052 27.659 525 H GLU 67 H GLU 67 -4.676 -20.561 28.591 526 HA GLU 67 HA GLU 67 -3.016 -20.679 31.025 527 HB2 GLU 67 2HB GLU 67 -5.185 -21.745 31.528 528 HB3 GLU 67 1HB GLU 67 -4.961 -22.837 30.167 529 HG2 GLU 67 2HG GLU 67 -2.988 -23.793 31.250 530 HG3 GLU 67 1HG GLU 67 -3.192 -22.689 32.608 531 H VAL 68 H VAL 68 -1.070 -21.598 30.752 532 HA VAL 68 HA VAL 68 -0.373 -22.755 28.169 533 HB VAL 68 HB VAL 68 1.347 -22.187 30.602 534 HG11 VAL 68 1HG1 VAL 68 3.263 -22.563 29.100 535 HG12 VAL 68 2HG1 VAL 68 2.155 -23.064 27.825 536 HG13 VAL 68 3HG1 VAL 68 2.288 -24.019 29.300 537 HG21 VAL 68 3HG2 VAL 68 2.239 -20.329 29.253 538 HG22 VAL 68 1HG2 VAL 68 0.512 -20.149 29.562 539 HG23 VAL 68 2HG2 VAL 68 1.072 -20.700 27.984 540 H ARG 69 H ARG 69 -1.036 -24.826 27.953 541 HA ARG 69 HA ARG 69 -0.447 -26.716 30.153 542 HE ARG 69 HE ARG 69 -3.845 -30.572 30.189 543 HB2 ARG 69 2HB ARG 69 -2.865 -26.214 29.950 544 HB3 ARG 69 1HB ARG 69 -2.830 -26.767 28.285 545 HG2 ARG 69 2HG ARG 69 -2.345 -29.024 28.992 546 HG3 ARG 69 1HG ARG 69 -2.215 -28.504 30.675 547 HD2 ARG 69 2HD ARG 69 -4.552 -27.893 30.719 548 HD3 ARG 69 1HD ARG 69 -4.711 -28.225 28.993 549 HH11 ARG 69 1HH1 ARG 69 -6.586 -28.495 30.470 550 HH12 ARG 69 2HH1 ARG 69 -7.671 -29.804 30.791 551 HH21 ARG 69 1HH2 ARG 69 -5.252 -32.226 30.596 552 HH22 ARG 69 2HH2 ARG 69 -6.933 -31.887 30.828 553 H SER 70 H SER 70 -0.073 -28.954 29.481 554 HA SER 70 HA SER 70 1.971 -29.085 27.575 555 HG SER 70 HG SER 70 -0.032 -32.253 28.178 556 HB2 SER 70 2HB SER 70 1.954 -31.514 27.961 557 HB3 SER 70 1HB SER 70 1.812 -30.629 29.478 558 H ALA 71 H ALA 71 2.178 -30.447 25.701 559 HA ALA 71 HA ALA 71 -0.259 -31.132 24.233 560 HB1 ALA 71 3HB ALA 71 0.452 -29.931 22.229 561 HB2 ALA 71 1HB ALA 71 1.866 -29.311 23.085 562 HB3 ALA 71 2HB ALA 71 0.246 -28.819 23.583 563 H ASP 72 H ASP 72 0.617 -31.980 21.905 564 HA ASP 72 HA ASP 72 2.104 -34.337 22.539 565 HB2 ASP 72 2HB ASP 72 1.156 -33.260 19.874 566 HB3 ASP 72 1HB ASP 72 1.850 -34.861 20.117 567 H TYR 73 H TYR 73 3.958 -35.054 21.037 568 HA TYR 73 HA TYR 73 6.172 -34.876 20.540 569 HD1 TYR 73 HD1 TYR 73 6.818 -34.831 17.707 570 HD2 TYR 73 HD2 TYR 73 3.400 -32.432 18.547 571 HE1 TYR 73 HE1 TYR 73 5.704 -35.721 15.706 572 HE2 TYR 73 HE2 TYR 73 2.282 -33.318 16.546 573 HH TYR 73 HH TYR 73 3.465 -36.025 14.832 574 HB2 TYR 73 2HB TYR 73 5.449 -32.046 19.720 575 HB3 TYR 73 1HB TYR 73 6.927 -32.896 19.281 576 H GLY 74 H GLY 74 5.067 -33.917 23.210 577 HA2 GLY 74 2HA GLY 74 5.921 -33.138 25.198 578 HA3 GLY 74 1HA GLY 74 7.502 -33.124 24.435 579 H THR 75 H THR 75 4.793 -31.262 23.188 580 HA THR 75 HA THR 75 6.288 -28.793 23.797 581 HB THR 75 HB THR 75 5.032 -27.708 22.026 582 HG1 THR 75 HG1 THR 75 3.768 -30.105 21.275 583 HG21 THR 75 3HG2 THR 75 7.016 -28.953 21.333 584 HG22 THR 75 1HG2 THR 75 5.774 -29.018 20.080 585 HG23 THR 75 2HG2 THR 75 6.045 -30.412 21.127 586 H GLN 76 H GLN 76 4.362 -26.888 23.566 587 HA GLN 76 HA GLN 76 2.409 -27.470 25.706 588 HB2 GLN 76 2HB GLN 76 3.903 -24.861 25.321 589 HB3 GLN 76 1HB GLN 76 2.801 -25.252 26.631 590 HG2 GLN 76 2HG GLN 76 4.341 -26.708 27.642 591 HG3 GLN 76 1HG GLN 76 5.336 -26.800 26.187 592 HE21 GLN 76 1HE2 GLN 76 4.464 -24.829 28.925 593 HE22 GLN 76 2HE2 GLN 76 5.773 -23.716 28.797 594 H CYS 77 H CYS 77 0.646 -25.668 25.736 595 HA CYS 77 HA CYS 77 0.147 -24.466 23.107 596 HG CYS 77 HG CYS 77 0.396 -26.895 22.104 597 HB2 CYS 77 2HB CYS 77 -1.783 -26.364 24.463 598 HB3 CYS 77 1HB CYS 77 -2.214 -25.311 23.119 599 H PHE 78 H PHE 78 -1.039 -22.589 23.165 600 HA PHE 78 HA PHE 78 -1.768 -21.465 25.735 601 HD1 PHE 78 HD2 PHE 78 -0.712 -19.218 26.226 602 HD2 PHE 78 HD1 PHE 78 0.155 -19.986 22.125 603 HE1 PHE 78 HE2 PHE 78 1.535 -18.261 26.521 604 HE2 PHE 78 HE1 PHE 78 2.401 -19.028 22.419 605 HZ PHE 78 HZ PHE 78 3.093 -18.160 24.621 606 HB2 PHE 78 2HB PHE 78 -1.983 -20.382 22.913 607 HB3 PHE 78 1HB PHE 78 -2.531 -19.498 24.330 608 H TRP 79 H TRP 79 -3.610 -22.177 26.644 609 HA TRP 79 HA TRP 79 -5.848 -23.038 25.007 610 HD1 TRP 79 HD1 TRP 79 -3.162 -24.702 26.900 611 HE1 TRP 79 HE1 TRP 79 -3.165 -27.216 26.346 612 HE3 TRP 79 HE3 TRP 79 -8.203 -25.449 26.559 613 HZ2 TRP 79 HZ2 TRP 79 -5.059 -29.248 25.830 614 HZ3 TRP 79 HZ3 TRP 79 -9.030 -27.702 26.023 615 HH2 TRP 79 HH2 TRP 79 -7.489 -29.563 25.667 616 HB2 TRP 79 2HB TRP 79 -5.272 -23.164 27.959 617 HB3 TRP 79 1HB TRP 79 -6.855 -23.574 27.308 618 H ILE 80 H ILE 80 -7.546 -21.873 24.522 619 HA ILE 80 HA ILE 80 -7.943 -19.218 25.637 620 HB ILE 80 HB ILE 80 -9.516 -20.685 23.500 621 HG12 ILE 80 2HG1 ILE 80 -7.306 -18.629 23.204 622 HG13 ILE 80 1HG1 ILE 80 -7.150 -20.350 22.865 623 HG21 ILE 80 1HG2 ILE 80 -10.815 -18.896 24.506 624 HG22 ILE 80 2HG2 ILE 80 -10.328 -18.442 22.872 625 HG23 ILE 80 3HG2 ILE 80 -9.484 -17.761 24.264 626 HD11 ILE 80 3HD1 ILE 80 -7.416 -19.087 20.822 627 HD12 ILE 80 1HD1 ILE 80 -8.933 -18.407 21.409 628 HD13 ILE 80 2HD1 ILE 80 -8.811 -20.136 21.076 629 H LEU 81 H LEU 81 -8.762 -19.524 27.748 630 HA LEU 81 HA LEU 81 -11.051 -21.243 28.181 631 HG LEU 81 HG LEU 81 -9.105 -21.366 31.348 632 HB2 LEU 81 2HB LEU 81 -9.570 -19.336 29.987 633 HB3 LEU 81 1HB LEU 81 -11.010 -20.189 30.501 634 HD11 LEU 81 1HD1 LEU 81 -10.192 -22.886 28.980 635 HD12 LEU 81 2HD1 LEU 81 -10.969 -22.742 30.556 636 HD13 LEU 81 3HD1 LEU 81 -9.424 -23.577 30.410 637 HD21 LEU 81 3HD2 LEU 81 -7.431 -20.493 29.764 638 HD22 LEU 81 1HD2 LEU 81 -8.071 -21.564 28.515 639 HD23 LEU 81 2HD2 LEU 81 -7.321 -22.242 29.962 640 H ARG 82 H ARG 82 -13.105 -20.706 27.956 641 HA ARG 82 HA ARG 82 -13.816 -17.925 27.375 642 HE ARG 82 HE ARG 82 -12.194 -18.574 25.784 643 HB2 ARG 82 2HB ARG 82 -15.438 -20.467 27.090 644 HB3 ARG 82 1HB ARG 82 -15.964 -18.867 26.589 645 HG2 ARG 82 2HG ARG 82 -13.624 -20.394 25.449 646 HG3 ARG 82 1HG ARG 82 -15.200 -20.187 24.688 647 HD2 ARG 82 2HD ARG 82 -13.798 -18.597 23.662 648 HD3 ARG 82 1HD ARG 82 -14.771 -17.683 24.813 649 HH11 ARG 82 1HH1 ARG 82 -14.009 -16.008 24.382 650 HH12 ARG 82 2HH1 ARG 82 -12.819 -14.819 24.764 651 HH21 ARG 82 1HH2 ARG 82 -10.684 -17.044 26.276 652 HH22 ARG 82 2HH2 ARG 82 -10.943 -15.404 25.810 653 H THR 83 H THR 83 -15.437 -16.793 28.467 654 HA THR 83 HA THR 83 -15.705 -17.215 31.240 655 HB THR 83 HB THR 83 -17.499 -15.470 31.135 656 HG1 THR 83 HG1 THR 83 -18.431 -15.097 29.275 657 HG21 THR 83 3HG2 THR 83 -15.142 -14.812 31.315 658 HG22 THR 83 1HG2 THR 83 -16.043 -13.659 30.331 659 HG23 THR 83 2HG2 THR 83 -14.990 -14.844 29.557 660 H ASP 84 H ASP 84 -17.540 -18.456 28.559 661 HA ASP 84 HA ASP 84 -19.908 -19.223 29.875 662 HB2 ASP 84 2HB ASP 84 -18.521 -20.771 27.672 663 HB3 ASP 84 1HB ASP 84 -20.239 -20.775 28.057 664 H GLY 85 H GLY 85 -16.696 -20.446 30.117 665 HA2 GLY 85 2HA GLY 85 -16.096 -22.061 31.822 666 HA3 GLY 85 1HA GLY 85 -17.629 -22.870 31.532 667 H SER 86 H SER 86 -16.737 -22.107 28.547 668 HA SER 86 HA SER 86 -15.747 -24.766 27.954 669 HG SER 86 HG SER 86 -16.523 -24.843 24.950 670 HB2 SER 86 2HB SER 86 -17.464 -23.823 26.510 671 HB3 SER 86 1HB SER 86 -16.435 -22.443 26.133 672 H GLU 87 H GLU 87 -14.040 -24.787 26.023 673 HA GLU 87 HA GLU 87 -11.816 -22.973 26.567 674 HB2 GLU 87 2HB GLU 87 -10.321 -25.119 26.769 675 HB3 GLU 87 1HB GLU 87 -11.172 -24.497 28.173 676 HG2 GLU 87 2HG GLU 87 -11.318 -26.928 28.026 677 HG3 GLU 87 1HG GLU 87 -12.903 -26.170 27.924 678 H GLU 88 H GLU 88 -9.812 -23.767 25.237 679 HA GLU 88 HA GLU 88 -10.221 -25.185 22.807 680 HB2 GLU 88 2HB GLU 88 -11.480 -23.177 22.177 681 HB3 GLU 88 1HB GLU 88 -10.126 -22.154 22.633 682 HG2 GLU 88 2HG GLU 88 -10.220 -22.336 20.239 683 HG3 GLU 88 1HG GLU 88 -8.782 -23.166 20.826 684 H ARG 89 H ARG 89 -8.244 -25.356 21.560 685 HA ARG 89 HA ARG 89 -5.887 -24.006 22.706 686 HE ARG 89 HE ARG 89 -3.548 -27.906 22.274 687 HB2 ARG 89 2HB ARG 89 -4.557 -26.037 22.545 688 HB3 ARG 89 1HB ARG 89 -5.956 -26.321 23.570 689 HG2 ARG 89 2HG ARG 89 -7.082 -27.396 21.613 690 HG3 ARG 89 1HG ARG 89 -5.568 -27.241 20.722 691 HD2 ARG 89 2HD ARG 89 -6.089 -28.857 23.214 692 HD3 ARG 89 1HD ARG 89 -5.670 -29.456 21.610 693 HH11 ARG 89 1HH1 ARG 89 -5.142 -30.561 23.760 694 HH12 ARG 89 2HH1 ARG 89 -3.754 -31.034 24.673 695 HH21 ARG 89 1HH2 ARG 89 -1.751 -28.531 23.440 696 HH22 ARG 89 2HH2 ARG 89 -1.856 -29.900 24.493 697 H PHE 90 H PHE 90 -5.082 -22.725 21.142 698 HA PHE 90 HA PHE 90 -5.344 -23.613 18.343 699 HD1 PHE 90 HD1 PHE 90 -5.605 -20.856 21.354 700 HD2 PHE 90 HD2 PHE 90 -3.541 -19.697 17.808 701 HE1 PHE 90 HE1 PHE 90 -4.490 -19.047 22.594 702 HE2 PHE 90 HE2 PHE 90 -2.421 -17.894 19.050 703 HZ PHE 90 HZ PHE 90 -2.897 -17.564 21.441 704 HB2 PHE 90 2HB PHE 90 -5.211 -21.307 17.668 705 HB3 PHE 90 1HB PHE 90 -6.410 -21.444 18.944 706 H SER 91 H SER 91 -3.622 -23.887 17.036 707 HA SER 91 HA SER 91 -0.994 -23.994 18.213 708 HG SER 91 HG SER 91 -1.901 -23.740 14.648 709 HB2 SER 91 2HB SER 91 -0.304 -24.731 15.893 710 HB3 SER 91 1HB SER 91 -1.543 -25.731 16.647 711 H TYR 92 H TYR 92 -0.519 -21.860 18.739 712 HA TYR 92 HA TYR 92 -0.775 -19.573 17.265 713 HD1 TYR 92 HD1 TYR 92 0.877 -22.138 19.853 714 HD2 TYR 92 HD2 TYR 92 3.320 -18.822 18.766 715 HE1 TYR 92 HE1 TYR 92 2.873 -23.375 20.574 716 HE2 TYR 92 HE2 TYR 92 5.320 -20.055 19.481 717 HH TYR 92 HH TYR 92 5.862 -21.936 21.056 718 HB2 TYR 92 2HB TYR 92 1.007 -18.607 18.613 719 HB3 TYR 92 1HB TYR 92 0.001 -19.651 19.610 720 H LYS 93 H LYS 93 1.921 -21.904 17.003 721 HA LYS 93 HA LYS 93 3.399 -20.365 15.129 722 HB2 LYS 93 2HB LYS 93 4.664 -22.451 14.681 723 HB3 LYS 93 1HB LYS 93 4.545 -22.067 16.390 724 HG2 LYS 93 2HG LYS 93 2.881 -23.777 16.718 725 HG3 LYS 93 1HG LYS 93 2.805 -24.091 14.983 726 HD2 LYS 93 2HD LYS 93 5.204 -24.767 15.056 727 HD3 LYS 93 1HD LYS 93 5.166 -24.572 16.809 728 HE2 LYS 93 2HE LYS 93 3.435 -26.296 16.969 729 HE3 LYS 93 1HE LYS 93 3.439 -26.475 15.211 730 HZ1 LYS 93 3HZ LYS 93 5.786 -26.993 16.962 731 HZ2 LYS 93 1HZ LYS 93 5.688 -27.278 15.298 732 HZ3 LYS 93 2HZ LYS 93 4.752 -28.189 16.371 733 H LYS 94 H LYS 94 1.548 -23.367 14.538 734 HA LYS 94 HA LYS 94 1.424 -22.836 11.703 735 HB2 LYS 94 2HB LYS 94 0.836 -25.107 13.492 736 HB3 LYS 94 1HB LYS 94 -0.263 -24.966 12.127 737 HG2 LYS 94 2HG LYS 94 1.730 -26.451 11.781 738 HG3 LYS 94 1HG LYS 94 1.493 -25.201 10.558 739 HD2 LYS 94 2HD LYS 94 3.209 -23.817 11.714 740 HD3 LYS 94 1HD LYS 94 3.473 -25.146 12.848 741 HE2 LYS 94 2HE LYS 94 4.149 -26.600 11.000 742 HE3 LYS 94 1HE LYS 94 3.853 -25.297 9.850 743 HZ1 LYS 94 3HZ LYS 94 5.609 -24.016 10.881 744 HZ2 LYS 94 1HZ LYS 94 6.201 -25.523 10.396 745 HZ3 LYS 94 2HZ LYS 94 5.873 -25.230 12.028 746 H CYS 95 H CYS 95 0.332 -20.756 12.105 747 HA CYS 95 HA CYS 95 -2.532 -21.079 11.681 748 HG CYS 95 HG CYS 95 -4.631 -19.709 12.611 749 HB2 CYS 95 2HB CYS 95 -2.310 -20.732 14.131 750 HB3 CYS 95 1HB CYS 95 -1.485 -19.208 13.826 751 H VAL 96 H VAL 96 0.130 -20.066 10.446 752 HA VAL 96 HA VAL 96 -1.070 -17.924 8.900 753 HB VAL 96 HB VAL 96 1.570 -17.466 10.338 754 HG11 VAL 96 1HG1 VAL 96 1.679 -16.628 8.053 755 HG12 VAL 96 2HG1 VAL 96 1.605 -15.284 9.193 756 HG13 VAL 96 3HG1 VAL 96 0.168 -15.749 8.282 757 HG21 VAL 96 3HG2 VAL 96 0.470 -15.530 11.357 758 HG22 VAL 96 1HG2 VAL 96 -0.358 -17.029 11.778 759 HG23 VAL 96 2HG2 VAL 96 -1.044 -15.958 10.555 760 H LEU 97 H LEU 97 -0.967 -19.291 7.122 761 HA LEU 97 HA LEU 97 1.706 -19.776 6.022 762 HG LEU 97 HG LEU 97 1.238 -21.776 8.215 763 HB2 LEU 97 2HB LEU 97 -0.438 -21.871 6.392 764 HB3 LEU 97 1HB LEU 97 0.857 -22.052 5.222 765 HD11 LEU 97 1HD1 LEU 97 1.496 -24.190 6.418 766 HD12 LEU 97 2HD1 LEU 97 0.237 -23.917 7.624 767 HD13 LEU 97 3HD1 LEU 97 1.913 -24.129 8.131 768 HD21 LEU 97 3HD2 LEU 97 3.583 -22.358 7.730 769 HD22 LEU 97 1HD2 LEU 97 3.109 -20.833 6.979 770 HD23 LEU 97 2HD2 LEU 97 3.230 -22.295 6.001 771 H GLU 98 H GLU 98 1.297 -20.809 3.680 772 HA GLU 98 HA GLU 98 -1.029 -19.651 2.382 773 HB2 GLU 98 2HB GLU 98 0.652 -17.812 2.483 774 HB3 GLU 98 1HB GLU 98 1.766 -18.819 1.565 775 HG2 GLU 98 2HG GLU 98 0.205 -18.845 -0.312 776 HG3 GLU 98 1HG GLU 98 -0.925 -17.857 0.616 777 H HIS 99 H HIS 99 -1.707 -20.933 0.765 778 HA HIS 99 HA HIS 99 -0.460 -23.395 0.242 779 HD1 HIS 99 HD1 HIS 99 -4.029 -20.947 0.186 780 HD2 HIS 99 HD2 HIS 99 -2.417 -21.665 -3.575 781 HE1 HIS 99 HE1 HIS 99 -4.987 -19.177 -1.304 782 HE2 HIS 99 HE2 HIS 99 -3.934 -19.573 -3.548 783 HB2 HIS 99 2HB HIS 99 -2.182 -23.660 -1.549 784 HB3 HIS 99 1HB HIS 99 -2.842 -23.201 0.014 785 H HIS 100 H HIS 100 1.693 -22.951 -0.415 786 HA HIS 100 HA HIS 100 2.095 -21.750 -3.031 787 HD1 HIS 100 HD1 HIS 100 4.978 -20.182 -3.268 788 HD2 HIS 100 HD2 HIS 100 3.143 -20.476 0.448 789 HE1 HIS 100 HE1 HIS 100 5.048 -17.868 -2.300 790 HE2 HIS 100 HE2 HIS 100 3.694 -18.028 -0.192 791 HB2 HIS 100 2HB HIS 100 3.948 -22.862 -0.942 792 HB3 HIS 100 1HB HIS 100 4.532 -22.575 -2.581 793 H HIS 101 H HIS 101 0.882 -24.580 -2.111 794 HA HIS 101 HA HIS 101 1.448 -25.684 -4.781 795 HD1 HIS 101 HD1 HIS 101 3.639 -27.696 -5.000 796 HD2 HIS 101 HD2 HIS 101 3.447 -26.785 -0.951 797 HE1 HIS 101 HE1 HIS 101 6.015 -27.678 -4.205 798 HE2 HIS 101 HE2 HIS 101 5.848 -27.372 -1.714 799 HB2 HIS 101 2HB HIS 101 1.081 -27.325 -2.248 800 HB3 HIS 101 1HB HIS 101 1.245 -27.975 -3.876 801 H HIS 102 H HIS 102 -0.423 -26.731 -5.748 802 HA HIS 102 HA HIS 102 -2.917 -25.600 -4.762 803 HD1 HIS 102 HD1 HIS 102 -4.480 -24.131 -7.013 804 HD2 HIS 102 HD2 HIS 102 -0.520 -24.919 -8.019 805 HE1 HIS 102 HE1 HIS 102 -3.610 -22.017 -8.048 806 HE2 HIS 102 HE2 HIS 102 -1.274 -22.565 -8.788 807 HB2 HIS 102 2HB HIS 102 -2.198 -27.083 -7.293 808 HB3 HIS 102 1HB HIS 102 -3.856 -26.635 -6.897 809 H HIS 103 H HIS 103 -1.531 -27.843 -3.377 810 HA HIS 103 HA HIS 103 -3.931 -29.485 -3.000 811 HD1 HIS 103 HD1 HIS 103 -4.675 -31.905 -3.275 812 HD2 HIS 103 HD2 HIS 103 -1.040 -32.782 -1.460 813 HE1 HIS 103 HE1 HIS 103 -5.069 -34.003 -1.957 814 HE2 HIS 103 HE2 HIS 103 -2.808 -34.621 -1.047 815 HB2 HIS 103 2HB HIS 103 -2.271 -30.787 -4.322 816 HB3 HIS 103 1HB HIS 103 -1.104 -30.581 -3.023 817 H HIS 104 H HIS 104 -0.713 -28.721 -1.601 818 HA HIS 104 HA HIS 104 -2.105 -27.854 0.842 819 HD1 HIS 104 HD1 HIS 104 -2.565 -29.294 3.219 820 HD2 HIS 104 HD2 HIS 104 -1.061 -32.076 0.526 821 HE1 HIS 104 HE1 HIS 104 -3.916 -31.377 3.577 822 HE2 HIS 104 HE2 HIS 104 -2.834 -33.099 2.101 823 HB2 HIS 104 2HB HIS 104 0.284 -29.705 0.760 824 HB3 HIS 104 1HB HIS 104 -0.134 -28.768 2.190 Start of MODEL 9 1 HA MET 1 HA MET 1 -8.705 -9.438 7.225 2 H1 MET 1 1H MET 1 -9.886 -6.771 6.703 3 H2 MET 1 2H MET 1 -8.917 -7.193 8.021 4 H3 MET 1 3H MET 1 -10.452 -7.878 7.848 5 HB2 MET 1 2HB MET 1 -10.428 -8.449 4.939 6 HB3 MET 1 1HB MET 1 -9.579 -9.988 4.948 7 HG2 MET 1 2HG MET 1 -11.722 -9.185 6.912 8 HG3 MET 1 1HG MET 1 -11.970 -10.194 5.491 9 HE1 MET 1 3HE MET 1 -11.239 -10.118 9.203 10 HE2 MET 1 1HE MET 1 -9.550 -10.009 8.703 11 HE3 MET 1 2HE MET 1 -10.144 -11.468 9.499 12 H ALA 2 H ALA 2 -6.855 -9.936 6.003 13 HA ALA 2 HA ALA 2 -5.684 -7.778 4.390 14 HB1 ALA 2 3HB ALA 2 -4.959 -7.351 6.687 15 HB2 ALA 2 1HB ALA 2 -3.599 -7.812 5.662 16 HB3 ALA 2 2HB ALA 2 -4.293 -8.982 6.786 17 H LYS 3 H LYS 3 -3.740 -8.401 3.233 18 HA LYS 3 HA LYS 3 -3.140 -11.267 3.047 19 HB2 LYS 3 2HB LYS 3 -4.829 -10.760 1.286 20 HB3 LYS 3 1HB LYS 3 -3.747 -9.547 0.618 21 HG2 LYS 3 2HG LYS 3 -2.122 -11.260 0.051 22 HG3 LYS 3 1HG LYS 3 -3.129 -12.498 0.805 23 HD2 LYS 3 2HD LYS 3 -3.971 -10.794 -1.550 24 HD3 LYS 3 1HD LYS 3 -3.318 -12.429 -1.679 25 HE2 LYS 3 2HE LYS 3 -5.190 -13.306 -0.397 26 HE3 LYS 3 1HE LYS 3 -5.825 -11.677 -0.167 27 HZ1 LYS 3 3HZ LYS 3 -6.194 -11.496 -2.526 28 HZ2 LYS 3 1HZ LYS 3 -6.961 -12.888 -1.948 29 HZ3 LYS 3 2HZ LYS 3 -5.506 -13.014 -2.801 30 H ALA 4 H ALA 4 -2.007 -8.421 3.765 31 HA ALA 4 HA ALA 4 0.722 -8.996 2.938 32 HB1 ALA 4 3HB ALA 4 -0.569 -6.339 2.288 33 HB2 ALA 4 1HB ALA 4 -0.160 -7.591 1.116 34 HB3 ALA 4 2HB ALA 4 1.119 -6.777 2.017 35 H GLN 5 H GLN 5 1.907 -6.612 3.754 36 HA GLN 5 HA GLN 5 2.581 -5.366 5.531 37 HB2 GLN 5 2HB GLN 5 -0.105 -6.119 6.707 38 HB3 GLN 5 1HB GLN 5 1.028 -5.018 7.477 39 HG2 GLN 5 2HG GLN 5 0.851 -3.491 5.585 40 HG3 GLN 5 1HG GLN 5 -0.257 -4.602 4.780 41 HE21 GLN 5 1HE2 GLN 5 -0.644 -1.812 5.693 42 HE22 GLN 5 2HE2 GLN 5 -2.016 -1.858 6.739 43 HA PRO 6 HA PRO 6 4.633 -8.273 8.240 44 HB2 PRO 6 2HB PRO 6 4.801 -6.044 10.198 45 HB3 PRO 6 1HB PRO 6 6.095 -6.994 9.460 46 HG2 PRO 6 2HG PRO 6 5.663 -4.465 8.719 47 HG3 PRO 6 1HG PRO 6 6.126 -5.697 7.530 48 HD2 PRO 6 2HD PRO 6 3.415 -4.542 8.104 49 HD3 PRO 6 1HD PRO 6 4.173 -4.908 6.539 50 H ILE 7 H ILE 7 4.448 -9.245 10.412 51 HA ILE 7 HA ILE 7 1.663 -9.510 11.130 52 HB ILE 7 HB ILE 7 4.110 -10.862 12.310 53 HG12 ILE 7 2HG1 ILE 7 3.152 -12.886 11.103 54 HG13 ILE 7 1HG1 ILE 7 2.053 -11.788 10.279 55 HG21 ILE 7 1HG2 ILE 7 2.326 -10.784 13.957 56 HG22 ILE 7 2HG2 ILE 7 2.516 -12.430 13.353 57 HG23 ILE 7 3HG2 ILE 7 1.179 -11.431 12.783 58 HD11 ILE 7 3HD1 ILE 7 3.995 -12.392 8.916 59 HD12 ILE 7 1HD1 ILE 7 5.060 -11.677 10.124 60 HD13 ILE 7 2HD1 ILE 7 3.925 -10.660 9.237 61 H GLU 8 H GLU 8 1.231 -7.404 11.945 62 HA GLU 8 HA GLU 8 2.560 -6.533 14.384 63 HB2 GLU 8 2HB GLU 8 1.766 -5.028 12.441 64 HB3 GLU 8 1HB GLU 8 0.150 -5.244 13.090 65 HG2 GLU 8 2HG GLU 8 2.475 -4.076 14.617 66 HG3 GLU 8 1HG GLU 8 1.247 -3.133 13.778 67 H ILE 9 H ILE 9 1.890 -7.093 16.371 68 HA ILE 9 HA ILE 9 -0.964 -7.655 16.852 69 HB ILE 9 HB ILE 9 1.293 -9.402 17.874 70 HG12 ILE 9 2HG1 ILE 9 -0.923 -10.056 15.904 71 HG13 ILE 9 1HG1 ILE 9 0.762 -9.783 15.475 72 HG21 ILE 9 1HG2 ILE 9 -0.510 -10.793 18.817 73 HG22 ILE 9 2HG2 ILE 9 -1.694 -9.596 18.293 74 HG23 ILE 9 3HG2 ILE 9 -0.492 -9.172 19.512 75 HD11 ILE 9 3HD1 ILE 9 0.221 -12.149 15.534 76 HD12 ILE 9 1HD1 ILE 9 -0.270 -12.005 17.222 77 HD13 ILE 9 2HD1 ILE 9 1.415 -11.739 16.766 78 H ALA 10 H ALA 10 -1.595 -6.184 18.322 79 HA ALA 10 HA ALA 10 -1.816 -5.067 20.294 80 HB1 ALA 10 3HB ALA 10 -1.453 -7.309 21.242 81 HB2 ALA 10 1HB ALA 10 -0.848 -6.030 22.296 82 HB3 ALA 10 2HB ALA 10 0.277 -6.979 21.323 83 H GLY 11 H GLY 11 0.153 -4.064 18.356 84 HA2 GLY 11 2HA GLY 11 1.491 -2.141 18.380 85 HA3 GLY 11 1HA GLY 11 1.606 -2.260 20.131 86 H HIS 12 H HIS 12 2.237 -5.053 18.204 87 HA HIS 12 HA HIS 12 5.157 -4.702 18.502 88 HD1 HIS 12 HD1 HIS 12 6.153 -5.837 21.310 89 HD2 HIS 12 HD2 HIS 12 2.059 -6.475 21.046 90 HE1 HIS 12 HE1 HIS 12 5.254 -5.392 23.608 91 HE2 HIS 12 HE2 HIS 12 2.761 -5.559 23.353 92 HB2 HIS 12 2HB HIS 12 3.679 -7.319 18.925 93 HB3 HIS 12 1HB HIS 12 5.404 -7.036 19.131 94 H GLU 13 H GLU 13 5.566 -4.244 16.374 95 HA GLU 13 HA GLU 13 4.279 -5.727 14.252 96 HB2 GLU 13 2HB GLU 13 5.602 -4.245 12.746 97 HB3 GLU 13 1HB GLU 13 4.592 -3.378 13.892 98 HG2 GLU 13 2HG GLU 13 6.543 -2.941 15.300 99 HG3 GLU 13 1HG GLU 13 7.561 -3.827 14.167 100 H PHE 14 H PHE 14 4.959 -7.754 13.962 101 HA PHE 14 HA PHE 14 7.798 -8.411 14.085 102 HD1 PHE 14 HD1 PHE 14 8.173 -10.075 16.060 103 HD2 PHE 14 HD2 PHE 14 3.967 -9.971 15.391 104 HE1 PHE 14 HE1 PHE 14 7.785 -10.133 18.486 105 HE2 PHE 14 HE2 PHE 14 3.577 -10.030 17.816 106 HZ PHE 14 HZ PHE 14 5.486 -10.112 19.368 107 HB2 PHE 14 2HB PHE 14 5.402 -10.196 13.570 108 HB3 PHE 14 1HB PHE 14 7.059 -10.744 13.822 109 H ALA 15 H ALA 15 9.044 -8.271 12.353 110 HA ALA 15 HA ALA 15 8.036 -7.572 9.793 111 HB1 ALA 15 3HB ALA 15 10.361 -7.555 9.085 112 HB2 ALA 15 1HB ALA 15 10.832 -8.407 10.556 113 HB3 ALA 15 2HB ALA 15 10.185 -6.769 10.655 114 H ARG 16 H ARG 16 8.015 -10.577 11.141 115 HA ARG 16 HA ARG 16 7.564 -11.904 8.657 116 HE ARG 16 HE ARG 16 10.930 -12.183 7.098 117 HB2 ARG 16 2HB ARG 16 10.065 -11.784 8.702 118 HB3 ARG 16 1HB ARG 16 10.049 -12.726 10.186 119 HG2 ARG 16 2HG ARG 16 9.223 -14.649 9.060 120 HG3 ARG 16 1HG ARG 16 8.869 -13.722 7.599 121 HD2 ARG 16 2HD ARG 16 11.594 -14.344 8.743 122 HD3 ARG 16 1HD ARG 16 10.896 -14.981 7.252 123 HH11 ARG 16 1HH1 ARG 16 13.134 -14.841 7.052 124 HH12 ARG 16 2HH1 ARG 16 14.339 -13.954 6.183 125 HH21 ARG 16 1HH2 ARG 16 12.495 -11.067 6.028 126 HH22 ARG 16 2HH2 ARG 16 13.991 -11.840 5.632 127 H LYS 17 H LYS 17 6.668 -14.008 8.930 128 HA LYS 17 HA LYS 17 5.240 -14.584 11.225 129 HB2 LYS 17 2HB LYS 17 6.191 -16.258 8.933 130 HB3 LYS 17 1HB LYS 17 5.433 -17.055 10.303 131 HG2 LYS 17 2HG LYS 17 4.156 -14.821 8.725 132 HG3 LYS 17 1HG LYS 17 3.886 -16.540 8.422 133 HD2 LYS 17 2HD LYS 17 3.254 -15.054 10.985 134 HD3 LYS 17 1HD LYS 17 2.086 -15.616 9.789 135 HE2 LYS 17 2HE LYS 17 2.765 -17.939 10.228 136 HE3 LYS 17 1HE LYS 17 3.913 -17.373 11.439 137 HZ1 LYS 17 3HZ LYS 17 1.868 -18.146 12.454 138 HZ2 LYS 17 1HZ LYS 17 0.963 -17.040 11.551 139 HZ3 LYS 17 2HZ LYS 17 2.056 -16.486 12.714 140 H ALA 18 H ALA 18 8.419 -15.930 10.313 141 HA ALA 18 HA ALA 18 8.895 -17.546 12.513 142 HB1 ALA 18 3HB ALA 18 11.283 -17.267 12.010 143 HB2 ALA 18 1HB ALA 18 10.901 -15.899 10.965 144 HB3 ALA 18 2HB ALA 18 10.332 -17.515 10.546 145 H ASP 19 H ASP 19 9.522 -14.063 12.170 146 HA ASP 19 HA ASP 19 10.787 -13.588 14.620 147 HB2 ASP 19 2HB ASP 19 10.594 -12.008 12.657 148 HB3 ASP 19 1HB ASP 19 8.937 -11.688 13.149 149 H ALA 20 H ALA 20 7.337 -13.583 13.776 150 HA ALA 20 HA ALA 20 6.367 -12.841 16.344 151 HB1 ALA 20 3HB ALA 20 5.017 -12.604 14.317 152 HB2 ALA 20 1HB ALA 20 4.184 -13.578 15.530 153 HB3 ALA 20 2HB ALA 20 4.953 -14.358 14.147 154 H LEU 21 H LEU 21 6.748 -16.020 14.775 155 HA LEU 21 HA LEU 21 5.609 -17.574 16.829 156 HG LEU 21 HG LEU 21 5.792 -17.582 13.610 157 HB2 LEU 21 2HB LEU 21 7.743 -18.391 14.849 158 HB3 LEU 21 1HB LEU 21 6.727 -19.482 15.773 159 HD11 LEU 21 1HD1 LEU 21 6.986 -19.489 12.712 160 HD12 LEU 21 2HD1 LEU 21 5.262 -19.635 12.374 161 HD13 LEU 21 3HD1 LEU 21 5.993 -20.592 13.664 162 HD21 LEU 21 3HD2 LEU 21 3.596 -18.606 13.885 163 HD22 LEU 21 1HD2 LEU 21 4.111 -17.812 15.373 164 HD23 LEU 21 2HD2 LEU 21 4.200 -19.570 15.235 165 H ALA 22 H ALA 22 8.983 -16.626 16.225 166 HA ALA 22 HA ALA 22 10.160 -18.080 18.337 167 HB1 ALA 22 3HB ALA 22 11.458 -17.124 16.495 168 HB2 ALA 22 1HB ALA 22 12.081 -16.596 18.060 169 HB3 ALA 22 2HB ALA 22 11.105 -15.499 17.082 170 H PHE 23 H PHE 23 8.835 -14.779 18.222 171 HA PHE 23 HA PHE 23 9.459 -14.017 20.860 172 HD1 PHE 23 HD1 PHE 23 9.356 -11.144 21.206 173 HD2 PHE 23 HD2 PHE 23 5.428 -12.745 20.782 174 HE1 PHE 23 HE1 PHE 23 8.555 -9.652 22.990 175 HE2 PHE 23 HE2 PHE 23 4.625 -11.251 22.562 176 HZ PHE 23 HZ PHE 23 6.188 -9.702 23.669 177 HB2 PHE 23 2HB PHE 23 8.670 -12.409 19.187 178 HB3 PHE 23 1HB PHE 23 7.100 -13.201 19.134 179 H MET 24 H MET 24 6.505 -15.512 19.538 180 HA MET 24 HA MET 24 5.098 -15.806 21.944 181 HB2 MET 24 2HB MET 24 5.020 -17.529 19.453 182 HB3 MET 24 1HB MET 24 3.846 -17.617 20.760 183 HG2 MET 24 2HG MET 24 3.194 -15.300 20.337 184 HG3 MET 24 1HG MET 24 4.373 -15.210 19.026 185 HE1 MET 24 3HE MET 24 0.903 -15.238 17.172 186 HE2 MET 24 1HE MET 24 2.432 -14.382 17.361 187 HE3 MET 24 2HE MET 24 1.296 -14.465 18.708 188 H LYS 25 H LYS 25 7.468 -17.941 20.403 189 HA LYS 25 HA LYS 25 7.240 -20.166 22.067 190 HB2 LYS 25 2HB LYS 25 8.591 -20.026 19.959 191 HB3 LYS 25 1HB LYS 25 9.799 -19.104 20.843 192 HG2 LYS 25 2HG LYS 25 10.590 -21.329 20.755 193 HG3 LYS 25 1HG LYS 25 10.009 -21.078 22.403 194 HD2 LYS 25 2HD LYS 25 7.893 -22.200 21.811 195 HD3 LYS 25 1HD LYS 25 8.504 -22.475 20.179 196 HE2 LYS 25 2HE LYS 25 9.594 -23.612 22.755 197 HE3 LYS 25 1HE LYS 25 8.777 -24.493 21.465 198 HZ1 LYS 25 3HZ LYS 25 10.657 -23.835 19.996 199 HZ2 LYS 25 1HZ LYS 25 11.100 -24.860 21.265 200 HZ3 LYS 25 2HZ LYS 25 11.451 -23.209 21.350 201 H VAL 26 H VAL 26 9.345 -17.302 22.448 202 HA VAL 26 HA VAL 26 10.738 -18.113 24.723 203 HB VAL 26 HB VAL 26 9.967 -15.292 23.934 204 HG11 VAL 26 1HG1 VAL 26 10.647 -15.339 26.261 205 HG12 VAL 26 2HG1 VAL 26 11.921 -14.605 25.289 206 HG13 VAL 26 3HG1 VAL 26 12.091 -16.267 25.855 207 HG21 VAL 26 3HG2 VAL 26 11.205 -16.438 22.180 208 HG22 VAL 26 1HG2 VAL 26 12.448 -16.914 23.338 209 HG23 VAL 26 2HG2 VAL 26 12.220 -15.212 22.938 210 H MET 27 H MET 27 7.877 -15.926 24.675 211 HA MET 27 HA MET 27 7.606 -15.849 27.484 212 HB2 MET 27 2HB MET 27 5.425 -14.827 27.112 213 HB3 MET 27 1HB MET 27 6.620 -14.141 26.022 214 HG2 MET 27 2HG MET 27 5.759 -15.530 24.203 215 HG3 MET 27 1HG MET 27 4.563 -16.221 25.299 216 HE1 MET 27 3HE MET 27 2.503 -15.584 23.813 217 HE2 MET 27 1HE MET 27 3.620 -14.988 22.582 218 HE3 MET 27 2HE MET 27 2.262 -13.991 23.099 219 H LEU 28 H LEU 28 6.118 -17.949 25.056 220 HA LEU 28 HA LEU 28 4.296 -19.314 26.686 221 HG LEU 28 HG LEU 28 4.859 -22.231 25.414 222 HB2 LEU 28 2HB LEU 28 4.298 -19.489 24.258 223 HB3 LEU 28 1HB LEU 28 5.862 -20.276 24.287 224 HD11 LEU 28 1HD1 LEU 28 3.023 -21.106 26.573 225 HD12 LEU 28 2HD1 LEU 28 2.430 -22.442 25.584 226 HD13 LEU 28 3HD1 LEU 28 2.240 -20.778 25.027 227 HD21 LEU 28 3HD2 LEU 28 3.603 -23.062 23.483 228 HD22 LEU 28 1HD2 LEU 28 5.052 -22.191 22.982 229 HD23 LEU 28 2HD2 LEU 28 3.471 -21.418 22.857 230 H ASN 29 H ASN 29 7.717 -19.986 26.019 231 HA ASN 29 HA ASN 29 7.760 -22.425 27.525 232 HB2 ASN 29 2HB ASN 29 9.954 -20.734 26.319 233 HB3 ASN 29 1HB ASN 29 10.274 -22.219 27.209 234 HD21 ASN 29 1HD2 ASN 29 7.458 -21.806 25.179 235 HD22 ASN 29 2HD2 ASN 29 7.950 -22.919 23.965 236 H ARG 30 H ARG 30 7.845 -19.170 28.481 237 HA ARG 30 HA ARG 30 9.452 -19.402 30.817 238 HE ARG 30 HE ARG 30 8.040 -15.788 34.547 239 HB2 ARG 30 2HB ARG 30 8.570 -17.252 29.705 240 HB3 ARG 30 1HB ARG 30 7.053 -17.576 30.524 241 HG2 ARG 30 2HG ARG 30 9.673 -17.263 31.988 242 HG3 ARG 30 1HG ARG 30 8.600 -15.911 31.633 243 HD2 ARG 30 2HD ARG 30 6.831 -16.933 32.949 244 HD3 ARG 30 1HD ARG 30 7.825 -18.359 33.233 245 HH11 ARG 30 1HH1 ARG 30 9.566 -18.814 33.888 246 HH12 ARG 30 2HH1 ARG 30 10.596 -18.718 35.271 247 HH21 ARG 30 1HH2 ARG 30 9.338 -15.717 36.356 248 HH22 ARG 30 2HH2 ARG 30 10.461 -16.998 36.654 249 H TYR 31 H TYR 31 6.104 -20.151 30.071 250 HA TYR 31 HA TYR 31 5.487 -20.794 32.863 251 HD1 TYR 31 HD1 TYR 31 3.170 -18.945 33.500 252 HD2 TYR 31 HD2 TYR 31 4.240 -18.840 29.376 253 HE1 TYR 31 HE1 TYR 31 2.902 -16.501 33.493 254 HE2 TYR 31 HE2 TYR 31 3.975 -16.398 29.367 255 HH TYR 31 HH TYR 31 2.969 -14.635 30.557 256 HB2 TYR 31 2HB TYR 31 3.678 -20.932 30.438 257 HB3 TYR 31 1HB TYR 31 3.186 -20.998 32.126 258 H ARG 32 H ARG 32 4.627 -22.844 33.473 259 HA ARG 32 HA ARG 32 5.704 -25.104 31.962 260 HE ARG 32 HE ARG 32 6.049 -27.102 36.189 261 HB2 ARG 32 2HB ARG 32 4.468 -24.845 34.713 262 HB3 ARG 32 1HB ARG 32 4.967 -26.385 34.025 263 HG2 ARG 32 2HG ARG 32 7.217 -25.876 34.163 264 HG3 ARG 32 1HG ARG 32 6.933 -24.135 34.173 265 HD2 ARG 32 2HD ARG 32 7.681 -25.111 36.359 266 HD3 ARG 32 1HD ARG 32 6.184 -24.182 36.423 267 HH11 ARG 32 1HH1 ARG 32 5.502 -24.235 38.013 268 HH12 ARG 32 2HH1 ARG 32 4.525 -25.039 39.194 269 HH21 ARG 32 1HH2 ARG 32 4.803 -28.128 37.682 270 HH22 ARG 32 2HH2 ARG 32 4.140 -27.246 39.013 271 HA PRO 33 HA PRO 33 1.858 -26.653 30.285 272 HB2 PRO 33 2HB PRO 33 2.324 -29.277 31.611 273 HB3 PRO 33 1HB PRO 33 2.115 -28.900 29.897 274 HG2 PRO 33 2HG PRO 33 4.519 -29.519 30.849 275 HG3 PRO 33 1HG PRO 33 4.332 -28.234 29.638 276 HD2 PRO 33 2HD PRO 33 4.717 -27.990 32.609 277 HD3 PRO 33 1HD PRO 33 5.483 -27.067 31.298 278 H GLY 34 H GLY 34 1.816 -25.671 33.245 279 HA2 GLY 34 2HA GLY 34 -0.983 -26.364 33.596 280 HA3 GLY 34 1HA GLY 34 0.087 -26.810 34.917 281 H ASP 35 H ASP 35 1.034 -23.983 33.239 282 HA ASP 35 HA ASP 35 0.298 -22.364 35.570 283 HB2 ASP 35 2HB ASP 35 2.378 -22.145 33.436 284 HB3 ASP 35 1HB ASP 35 1.805 -20.656 34.180 285 H ILE 36 H ILE 36 -0.479 -20.188 35.307 286 HA ILE 36 HA ILE 36 -2.312 -19.869 33.030 287 HB ILE 36 HB ILE 36 -2.189 -18.298 35.617 288 HG12 ILE 36 2HG1 ILE 36 -2.826 -20.608 36.066 289 HG13 ILE 36 1HG1 ILE 36 -4.241 -19.571 36.223 290 HG21 ILE 36 1HG2 ILE 36 -4.276 -18.321 33.425 291 HG22 ILE 36 2HG2 ILE 36 -3.169 -16.999 33.801 292 HG23 ILE 36 3HG2 ILE 36 -4.415 -17.464 34.960 293 HD11 ILE 36 3HD1 ILE 36 -4.787 -21.643 35.091 294 HD12 ILE 36 1HD1 ILE 36 -3.575 -21.309 33.853 295 HD13 ILE 36 2HD1 ILE 36 -4.993 -20.269 34.006 296 H VAL 37 H VAL 37 -2.105 -18.245 31.575 297 HA VAL 37 HA VAL 37 0.405 -16.935 31.303 298 HB VAL 37 HB VAL 37 -2.183 -16.462 29.803 299 HG11 VAL 37 1HG1 VAL 37 -0.647 -14.590 29.520 300 HG12 VAL 37 2HG1 VAL 37 -0.769 -15.525 28.030 301 HG13 VAL 37 3HG1 VAL 37 0.648 -15.700 29.067 302 HG21 VAL 37 3HG2 VAL 37 -1.214 -17.947 28.096 303 HG22 VAL 37 1HG2 VAL 37 -1.449 -18.777 29.633 304 HG23 VAL 37 2HG2 VAL 37 0.165 -18.253 29.152 305 H SER 38 H SER 38 1.038 -14.871 31.782 306 HA SER 38 HA SER 38 -0.313 -13.396 33.761 307 HG SER 38 HG SER 38 2.866 -14.028 33.026 308 HB2 SER 38 2HB SER 38 1.913 -12.479 31.921 309 HB3 SER 38 1HB SER 38 1.423 -11.678 33.411 310 H THR 39 H THR 39 -0.829 -11.020 33.573 311 HA THR 39 HA THR 39 -3.072 -10.712 31.917 312 HB THR 39 HB THR 39 -1.526 -8.493 33.288 313 HG1 THR 39 HG1 THR 39 -3.717 -9.261 34.633 314 HG21 THR 39 3HG2 THR 39 -3.198 -7.682 31.665 315 HG22 THR 39 1HG2 THR 39 -3.676 -7.315 33.324 316 HG23 THR 39 2HG2 THR 39 -4.438 -8.653 32.462 317 H VAL 40 H VAL 40 0.160 -9.190 31.612 318 HA VAL 40 HA VAL 40 -0.398 -7.667 29.306 319 HB VAL 40 HB VAL 40 2.275 -8.835 30.126 320 HG11 VAL 40 1HG1 VAL 40 2.268 -8.041 27.816 321 HG12 VAL 40 2HG1 VAL 40 3.245 -6.988 28.839 322 HG13 VAL 40 3HG1 VAL 40 1.631 -6.482 28.340 323 HG21 VAL 40 3HG2 VAL 40 2.675 -6.709 31.260 324 HG22 VAL 40 1HG2 VAL 40 1.254 -7.513 31.929 325 HG23 VAL 40 2HG2 VAL 40 1.060 -6.153 30.823 326 H ASP 41 H ASP 41 1.298 -10.799 29.547 327 HA ASP 41 HA ASP 41 1.601 -11.366 26.851 328 HB2 ASP 41 2HB ASP 41 1.004 -13.382 29.033 329 HB3 ASP 41 1HB ASP 41 1.854 -13.689 27.521 330 H GLY 42 H GLY 42 -1.163 -12.068 28.976 331 HA2 GLY 42 2HA GLY 42 -2.791 -13.415 27.118 332 HA3 GLY 42 1HA GLY 42 -3.369 -12.511 28.512 333 H ALA 43 H ALA 43 -2.574 -9.933 27.872 334 HA ALA 43 HA ALA 43 -4.589 -9.010 26.164 335 HB1 ALA 43 3HB ALA 43 -3.472 -6.835 26.285 336 HB2 ALA 43 1HB ALA 43 -2.028 -7.608 26.943 337 HB3 ALA 43 2HB ALA 43 -3.530 -7.610 27.867 338 H PHE 44 H PHE 44 -1.221 -9.800 25.497 339 HA PHE 44 HA PHE 44 -1.106 -8.935 22.806 340 HD1 PHE 44 HD2 PHE 44 1.807 -8.646 22.006 341 HD2 PHE 44 HD1 PHE 44 0.587 -12.715 22.361 342 HE1 PHE 44 HE2 PHE 44 3.042 -9.195 19.951 343 HE2 PHE 44 HE1 PHE 44 1.826 -13.266 20.310 344 HZ PHE 44 HZ PHE 44 3.053 -11.506 19.100 345 HB2 PHE 44 2HB PHE 44 0.895 -9.511 24.094 346 HB3 PHE 44 1HB PHE 44 0.362 -11.180 24.226 347 H LEU 45 H LEU 45 -1.890 -12.104 24.229 348 HA LEU 45 HA LEU 45 -2.432 -13.497 21.853 349 HG LEU 45 HG LEU 45 -1.083 -14.170 24.461 350 HB2 LEU 45 2HB LEU 45 -3.572 -13.865 24.628 351 HB3 LEU 45 1HB LEU 45 -3.753 -15.024 23.325 352 HD11 LEU 45 1HD1 LEU 45 -2.662 -16.682 25.023 353 HD12 LEU 45 2HD1 LEU 45 -2.432 -15.343 26.147 354 HD13 LEU 45 3HD1 LEU 45 -1.048 -16.302 25.625 355 HD21 LEU 45 3HD2 LEU 45 -0.967 -14.973 22.163 356 HD22 LEU 45 1HD2 LEU 45 -1.864 -16.426 22.608 357 HD23 LEU 45 2HD2 LEU 45 -0.249 -16.147 23.265 358 H VAL 46 H VAL 46 -4.532 -11.460 23.851 359 HA VAL 46 HA VAL 46 -7.003 -12.030 22.685 360 HB VAL 46 HB VAL 46 -6.020 -9.376 23.775 361 HG11 VAL 46 1HG1 VAL 46 -8.409 -8.816 24.056 362 HG12 VAL 46 2HG1 VAL 46 -8.845 -10.293 23.197 363 HG13 VAL 46 3HG1 VAL 46 -7.967 -9.012 22.361 364 HG21 VAL 46 3HG2 VAL 46 -7.185 -10.036 25.824 365 HG22 VAL 46 1HG2 VAL 46 -5.936 -11.207 25.403 366 HG23 VAL 46 2HG2 VAL 46 -7.631 -11.573 25.085 367 H GLU 47 H GLU 47 -4.691 -9.458 21.751 368 HA GLU 47 HA GLU 47 -6.080 -8.536 19.486 369 HB2 GLU 47 2HB GLU 47 -3.109 -8.537 20.069 370 HB3 GLU 47 1HB GLU 47 -3.863 -7.631 18.765 371 HG2 GLU 47 2HG GLU 47 -4.498 -7.253 21.688 372 HG3 GLU 47 1HG GLU 47 -3.343 -6.279 20.782 373 H ALA 48 H ALA 48 -3.523 -10.994 19.778 374 HA ALA 48 HA ALA 48 -3.249 -11.646 17.064 375 HB1 ALA 48 3HB ALA 48 -2.872 -13.463 19.453 376 HB2 ALA 48 1HB ALA 48 -1.661 -12.360 18.797 377 HB3 ALA 48 2HB ALA 48 -2.222 -13.726 17.834 378 H LEU 49 H LEU 49 -5.655 -12.623 19.409 379 HA LEU 49 HA LEU 49 -6.729 -14.736 17.744 380 HG LEU 49 HG LEU 49 -9.608 -14.654 19.148 381 HB2 LEU 49 2HB LEU 49 -6.773 -14.950 20.172 382 HB3 LEU 49 1HB LEU 49 -7.760 -13.506 20.305 383 HD11 LEU 49 1HD1 LEU 49 -9.491 -17.056 18.701 384 HD12 LEU 49 2HD1 LEU 49 -7.791 -17.064 19.168 385 HD13 LEU 49 3HD1 LEU 49 -8.310 -16.165 17.743 386 HD21 LEU 49 3HD2 LEU 49 -9.508 -14.738 21.574 387 HD22 LEU 49 1HD2 LEU 49 -8.493 -16.179 21.503 388 HD23 LEU 49 2HD2 LEU 49 -10.162 -16.245 20.935 389 H LYS 50 H LYS 50 -7.809 -11.486 18.774 390 HA LYS 50 HA LYS 50 -10.372 -11.572 17.659 391 HB2 LYS 50 2HB LYS 50 -8.586 -9.185 18.154 392 HB3 LYS 50 1HB LYS 50 -10.293 -9.073 17.742 393 HG2 LYS 50 2HG LYS 50 -10.826 -10.372 19.785 394 HG3 LYS 50 1HG LYS 50 -9.116 -10.343 20.213 395 HD2 LYS 50 2HD LYS 50 -10.943 -7.953 19.909 396 HD3 LYS 50 1HD LYS 50 -10.301 -8.603 21.418 397 HE2 LYS 50 2HE LYS 50 -8.022 -8.068 20.663 398 HE3 LYS 50 1HE LYS 50 -8.680 -7.393 19.172 399 HZ1 LYS 50 3HZ LYS 50 -9.846 -5.731 20.477 400 HZ2 LYS 50 1HZ LYS 50 -8.186 -5.675 20.792 401 HZ3 LYS 50 2HZ LYS 50 -9.233 -6.383 21.911 402 H ARG 51 H ARG 51 -7.312 -10.960 16.066 403 HA ARG 51 HA ARG 51 -8.560 -9.885 13.683 404 HE ARG 51 HE ARG 51 -4.525 -9.161 12.433 405 HB2 ARG 51 2HB ARG 51 -6.314 -9.796 12.754 406 HB3 ARG 51 1HB ARG 51 -6.333 -9.127 14.378 407 HG2 ARG 51 2HG ARG 51 -5.445 -11.311 15.210 408 HG3 ARG 51 1HG ARG 51 -5.275 -11.818 13.528 409 HD2 ARG 51 2HD ARG 51 -3.863 -9.557 14.939 410 HD3 ARG 51 1HD ARG 51 -3.149 -11.008 14.236 411 HH11 ARG 51 1HH1 ARG 51 -1.540 -10.399 13.625 412 HH12 ARG 51 2HH1 ARG 51 -0.623 -9.731 12.329 413 HH21 ARG 51 1HH2 ARG 51 -3.351 -8.306 10.784 414 HH22 ARG 51 2HH2 ARG 51 -1.642 -8.553 10.721 415 H HIS 52 H HIS 52 -9.035 -12.745 14.749 416 HA HIS 52 HA HIS 52 -8.497 -14.303 12.323 417 HD1 HIS 52 HD1 HIS 52 -8.330 -17.935 14.286 418 HD2 HIS 52 HD2 HIS 52 -6.476 -14.238 14.736 419 HE1 HIS 52 HE1 HIS 52 -5.934 -18.445 14.860 420 HE2 HIS 52 HE2 HIS 52 -4.873 -16.198 15.256 421 HB2 HIS 52 2HB HIS 52 -9.636 -14.969 15.036 422 HB3 HIS 52 1HB HIS 52 -9.827 -16.077 13.686 423 HA PRO 53 HA PRO 53 -12.780 -13.820 10.850 424 HB2 PRO 53 2HB PRO 53 -12.965 -16.070 9.331 425 HB3 PRO 53 1HB PRO 53 -12.069 -14.640 8.805 426 HG2 PRO 53 2HG PRO 53 -11.030 -17.173 10.038 427 HG3 PRO 53 1HG PRO 53 -10.387 -16.254 8.663 428 HD2 PRO 53 2HD PRO 53 -9.345 -16.066 11.167 429 HD3 PRO 53 1HD PRO 53 -9.341 -14.707 10.022 430 H ASP 54 H ASP 54 -11.493 -16.658 12.409 431 HA ASP 54 HA ASP 54 -14.085 -17.718 13.198 432 HB2 ASP 54 2HB ASP 54 -12.601 -19.416 14.401 433 HB3 ASP 54 1HB ASP 54 -12.465 -19.366 12.644 434 H ALA 55 H ALA 55 -12.300 -15.207 14.298 435 HA ALA 55 HA ALA 55 -11.680 -15.558 16.947 436 HB1 ALA 55 3HB ALA 55 -12.735 -13.033 15.677 437 HB2 ALA 55 1HB ALA 55 -11.059 -13.584 15.662 438 HB3 ALA 55 2HB ALA 55 -11.825 -13.132 17.186 439 H THR 56 H THR 56 -14.841 -14.523 15.667 440 HA THR 56 HA THR 56 -16.154 -13.780 17.952 441 HB THR 56 HB THR 56 -17.303 -13.536 15.884 442 HG1 THR 56 HG1 THR 56 -19.178 -13.905 16.789 443 HG21 THR 56 3HG2 THR 56 -18.106 -15.410 14.536 444 HG22 THR 56 1HG2 THR 56 -17.371 -16.553 15.661 445 HG23 THR 56 2HG2 THR 56 -16.350 -15.478 14.703 446 H SER 57 H SER 57 -15.944 -17.139 16.743 447 HA SER 57 HA SER 57 -17.486 -18.264 18.856 448 HG SER 57 HG SER 57 -15.017 -19.061 16.213 449 HB2 SER 57 2HB SER 57 -16.710 -20.437 18.027 450 HB3 SER 57 1HB SER 57 -17.161 -19.400 16.676 451 H LYS 58 H LYS 58 -14.117 -17.491 18.499 452 HA LYS 58 HA LYS 58 -13.250 -19.159 20.709 453 HB2 LYS 58 2HB LYS 58 -11.583 -17.059 19.327 454 HB3 LYS 58 1HB LYS 58 -11.049 -18.530 20.129 455 HG2 LYS 58 2HG LYS 58 -12.584 -18.395 17.537 456 HG3 LYS 58 1HG LYS 58 -10.854 -18.686 17.697 457 HD2 LYS 58 2HD LYS 58 -12.969 -20.471 18.913 458 HD3 LYS 58 1HD LYS 58 -12.263 -20.738 17.319 459 HE2 LYS 58 2HE LYS 58 -10.018 -20.819 18.406 460 HE3 LYS 58 1HE LYS 58 -10.827 -20.738 19.971 461 HZ1 LYS 58 3HZ LYS 58 -10.279 -23.017 19.280 462 HZ2 LYS 58 1HZ LYS 58 -11.288 -22.849 17.936 463 HZ3 LYS 58 2HZ LYS 58 -11.945 -22.799 19.493 464 H ILE 59 H ILE 59 -14.678 -16.130 20.488 465 HA ILE 59 HA ILE 59 -13.380 -15.171 22.964 466 HB ILE 59 HB ILE 59 -14.890 -13.571 20.886 467 HG12 ILE 59 2HG1 ILE 59 -11.933 -13.591 21.581 468 HG13 ILE 59 1HG1 ILE 59 -12.640 -14.375 20.173 469 HG21 ILE 59 1HG2 ILE 59 -14.168 -11.594 22.160 470 HG22 ILE 59 2HG2 ILE 59 -13.464 -12.647 23.388 471 HG23 ILE 59 3HG2 ILE 59 -15.207 -12.647 23.120 472 HD11 ILE 59 3HD1 ILE 59 -11.623 -12.271 19.567 473 HD12 ILE 59 1HD1 ILE 59 -12.631 -11.419 20.739 474 HD13 ILE 59 2HD1 ILE 59 -13.371 -12.194 19.337 475 H GLY 60 H GLY 60 -16.593 -14.906 21.385 476 HA2 GLY 60 2HA GLY 60 -18.716 -15.128 22.222 477 HA3 GLY 60 1HA GLY 60 -18.021 -16.152 23.460 478 HA PRO 61 HA PRO 61 -19.630 -12.976 26.142 479 HB2 PRO 61 2HB PRO 61 -18.888 -14.023 28.514 480 HB3 PRO 61 1HB PRO 61 -20.159 -14.742 27.520 481 HG2 PRO 61 2HG PRO 61 -17.283 -15.544 27.781 482 HG3 PRO 61 1HG PRO 61 -18.731 -16.569 27.767 483 HD2 PRO 61 2HD PRO 61 -17.153 -16.198 25.574 484 HD3 PRO 61 1HD PRO 61 -18.894 -16.524 25.470 485 H GLY 62 H GLY 62 -16.191 -13.823 26.260 486 HA2 GLY 62 2HA GLY 62 -14.996 -11.461 26.266 487 HA3 GLY 62 1HA GLY 62 -15.613 -11.459 27.909 488 H VAL 63 H VAL 63 -13.045 -11.136 27.856 489 HA VAL 63 HA VAL 63 -11.604 -13.675 27.777 490 HB VAL 63 HB VAL 63 -10.512 -10.918 28.392 491 HG11 VAL 63 1HG1 VAL 63 -8.348 -11.880 27.796 492 HG12 VAL 63 2HG1 VAL 63 -9.106 -13.445 27.505 493 HG13 VAL 63 3HG1 VAL 63 -9.080 -12.767 29.133 494 HG21 VAL 63 3HG2 VAL 63 -10.664 -12.357 25.736 495 HG22 VAL 63 1HG2 VAL 63 -9.782 -10.858 26.037 496 HG23 VAL 63 2HG2 VAL 63 -11.539 -10.893 26.189 497 H ARG 64 H ARG 64 -11.569 -14.923 29.584 498 HA ARG 64 HA ARG 64 -11.531 -13.693 32.234 499 HE ARG 64 HE ARG 64 -10.144 -18.441 34.664 500 HB2 ARG 64 2HB ARG 64 -12.864 -15.685 32.101 501 HB3 ARG 64 1HB ARG 64 -11.563 -16.579 31.323 502 HG2 ARG 64 2HG ARG 64 -10.234 -16.390 33.405 503 HG3 ARG 64 1HG ARG 64 -11.605 -15.594 34.176 504 HD2 ARG 64 2HD ARG 64 -12.907 -17.541 34.137 505 HD3 ARG 64 1HD ARG 64 -11.900 -18.298 32.901 506 HH11 ARG 64 1HH1 ARG 64 -13.457 -18.210 35.602 507 HH12 ARG 64 2HH1 ARG 64 -13.204 -19.080 37.077 508 HH21 ARG 64 1HH2 ARG 64 -9.848 -19.549 36.560 509 HH22 ARG 64 2HH2 ARG 64 -11.198 -19.838 37.600 510 H ASN 65 H ASN 65 -9.498 -16.110 30.552 511 HA ASN 65 HA ASN 65 -7.078 -14.687 30.897 512 HB2 ASN 65 2HB ASN 65 -5.931 -16.106 32.523 513 HB3 ASN 65 1HB ASN 65 -7.356 -15.384 33.261 514 HD21 ASN 65 1HD2 ASN 65 -5.924 -18.330 32.081 515 HD22 ASN 65 2HD2 ASN 65 -7.055 -19.404 32.827 516 H PHE 66 H PHE 66 -5.142 -16.426 30.603 517 HA PHE 66 HA PHE 66 -6.016 -18.506 28.694 518 HD1 PHE 66 HD1 PHE 66 -5.241 -14.803 28.240 519 HD2 PHE 66 HD2 PHE 66 -5.101 -18.138 25.589 520 HE1 PHE 66 HE1 PHE 66 -6.488 -13.514 26.557 521 HE2 PHE 66 HE2 PHE 66 -6.345 -16.852 23.903 522 HZ PHE 66 HZ PHE 66 -7.044 -14.537 24.387 523 HB2 PHE 66 2HB PHE 66 -3.599 -16.688 28.523 524 HB3 PHE 66 1HB PHE 66 -3.780 -18.140 27.547 525 H GLU 67 H GLU 67 -4.663 -20.427 28.633 526 HA GLU 67 HA GLU 67 -2.959 -20.789 31.023 527 HB2 GLU 67 2HB GLU 67 -5.164 -21.810 31.415 528 HB3 GLU 67 1HB GLU 67 -4.991 -22.767 29.950 529 HG2 GLU 67 2HG GLU 67 -3.152 -23.998 30.913 530 HG3 GLU 67 1HG GLU 67 -3.154 -22.961 32.338 531 H VAL 68 H VAL 68 -1.199 -22.225 30.812 532 HA VAL 68 HA VAL 68 -0.439 -22.791 28.020 533 HB VAL 68 HB VAL 68 1.280 -22.564 30.504 534 HG11 VAL 68 1HG1 VAL 68 3.202 -22.745 28.975 535 HG12 VAL 68 2HG1 VAL 68 2.102 -23.078 27.639 536 HG13 VAL 68 3HG1 VAL 68 2.227 -24.215 28.980 537 HG21 VAL 68 3HG2 VAL 68 0.430 -20.419 29.719 538 HG22 VAL 68 1HG2 VAL 68 1.011 -20.763 28.090 539 HG23 VAL 68 2HG2 VAL 68 2.161 -20.546 29.410 540 H ARG 69 H ARG 69 -0.610 -24.825 27.335 541 HA ARG 69 HA ARG 69 0.048 -27.028 29.180 542 HE ARG 69 HE ARG 69 -3.048 -29.401 29.566 543 HB2 ARG 69 2HB ARG 69 -2.325 -26.978 27.298 544 HB3 ARG 69 1HB ARG 69 -1.790 -28.387 28.204 545 HG2 ARG 69 2HG ARG 69 -2.211 -27.130 30.311 546 HG3 ARG 69 1HG ARG 69 -2.873 -25.810 29.343 547 HD2 ARG 69 2HD ARG 69 -4.637 -27.271 30.242 548 HD3 ARG 69 1HD ARG 69 -4.609 -27.283 28.478 549 HH11 ARG 69 1HH1 ARG 69 -6.303 -28.473 28.929 550 HH12 ARG 69 2HH1 ARG 69 -6.853 -30.101 28.774 551 HH21 ARG 69 1HH2 ARG 69 -3.763 -31.486 29.345 552 HH22 ARG 69 2HH2 ARG 69 -5.430 -31.788 28.994 553 H SER 70 H SER 70 0.117 -29.187 27.732 554 HA SER 70 HA SER 70 2.237 -28.730 25.837 555 HG SER 70 HG SER 70 3.328 -30.961 27.481 556 HB2 SER 70 2HB SER 70 0.805 -31.315 26.518 557 HB3 SER 70 1HB SER 70 2.333 -31.170 25.648 558 H ALA 71 H ALA 71 2.265 -29.568 23.633 559 HA ALA 71 HA ALA 71 -0.395 -29.718 22.349 560 HB1 ALA 71 3HB ALA 71 2.021 -28.299 21.219 561 HB2 ALA 71 1HB ALA 71 0.610 -27.514 21.931 562 HB3 ALA 71 2HB ALA 71 0.442 -28.452 20.447 563 H ASP 72 H ASP 72 2.896 -29.994 20.997 564 HA ASP 72 HA ASP 72 2.310 -32.611 19.887 565 HB2 ASP 72 2HB ASP 72 4.871 -30.982 19.882 566 HB3 ASP 72 1HB ASP 72 4.632 -32.487 19.002 567 H TYR 73 H TYR 73 4.850 -33.827 20.175 568 HA TYR 73 HA TYR 73 4.559 -35.290 22.522 569 HD1 TYR 73 HD1 TYR 73 4.859 -37.759 20.956 570 HD2 TYR 73 HD2 TYR 73 6.687 -34.564 18.815 571 HE1 TYR 73 HE1 TYR 73 4.009 -38.692 18.842 572 HE2 TYR 73 HE2 TYR 73 5.848 -35.487 16.701 573 HH TYR 73 HH TYR 73 5.106 -37.636 15.792 574 HB2 TYR 73 2HB TYR 73 7.209 -34.897 21.117 575 HB3 TYR 73 1HB TYR 73 6.644 -36.321 21.983 576 H GLY 74 H GLY 74 6.837 -32.627 21.842 577 HA2 GLY 74 2HA GLY 74 7.043 -32.150 24.755 578 HA3 GLY 74 1HA GLY 74 8.493 -32.246 23.768 579 H THR 75 H THR 75 5.407 -30.665 22.973 580 HA THR 75 HA THR 75 6.774 -28.045 23.122 581 HB THR 75 HB THR 75 5.531 -27.235 21.190 582 HG1 THR 75 HG1 THR 75 4.397 -28.969 19.929 583 HG21 THR 75 3HG2 THR 75 6.554 -28.603 19.408 584 HG22 THR 75 1HG2 THR 75 6.923 -29.856 20.595 585 HG23 THR 75 2HG2 THR 75 7.688 -28.271 20.717 586 H GLN 76 H GLN 76 5.071 -26.212 23.059 587 HA GLN 76 HA GLN 76 2.941 -26.900 24.988 588 HB2 GLN 76 2HB GLN 76 4.598 -24.374 24.810 589 HB3 GLN 76 1HB GLN 76 3.281 -24.641 25.945 590 HG2 GLN 76 2HG GLN 76 4.493 -26.322 27.098 591 HG3 GLN 76 1HG GLN 76 5.723 -26.396 25.834 592 HE21 GLN 76 1HE2 GLN 76 4.481 -24.529 28.499 593 HE22 GLN 76 2HE2 GLN 76 5.873 -23.535 28.703 594 H CYS 77 H CYS 77 1.214 -25.106 25.097 595 HA CYS 77 HA CYS 77 0.733 -23.631 22.645 596 HG CYS 77 HG CYS 77 -0.857 -27.340 24.141 597 HB2 CYS 77 2HB CYS 77 -1.438 -24.663 22.164 598 HB3 CYS 77 1HB CYS 77 -0.152 -25.860 22.069 599 H PHE 78 H PHE 78 -1.128 -22.180 22.803 600 HA PHE 78 HA PHE 78 -1.629 -21.364 25.571 601 HD1 PHE 78 HD2 PHE 78 -0.779 -18.941 26.259 602 HD2 PHE 78 HD1 PHE 78 0.058 -19.537 22.120 603 HE1 PHE 78 HE2 PHE 78 1.432 -17.907 26.557 604 HE2 PHE 78 HE1 PHE 78 2.273 -18.504 22.421 605 HZ PHE 78 HZ PHE 78 2.960 -17.685 24.641 606 HB2 PHE 78 2HB PHE 78 -2.102 -19.961 22.933 607 HB3 PHE 78 1HB PHE 78 -2.607 -19.301 24.483 608 H TRP 79 H TRP 79 -3.530 -21.569 26.557 609 HA TRP 79 HA TRP 79 -5.819 -22.606 25.025 610 HD1 TRP 79 HD1 TRP 79 -3.000 -24.317 26.274 611 HE1 TRP 79 HE1 TRP 79 -3.028 -26.796 25.585 612 HE3 TRP 79 HE3 TRP 79 -7.971 -25.289 26.955 613 HZ2 TRP 79 HZ2 TRP 79 -4.911 -28.895 25.373 614 HZ3 TRP 79 HZ3 TRP 79 -8.809 -27.551 26.485 615 HH2 TRP 79 HH2 TRP 79 -7.310 -29.321 25.709 616 HB2 TRP 79 2HB TRP 79 -4.983 -22.971 27.900 617 HB3 TRP 79 1HB TRP 79 -6.617 -23.346 27.355 618 H ILE 80 H ILE 80 -7.796 -21.682 25.151 619 HA ILE 80 HA ILE 80 -7.888 -18.931 26.133 620 HB ILE 80 HB ILE 80 -9.822 -20.422 24.341 621 HG12 ILE 80 2HG1 ILE 80 -7.672 -18.415 23.593 622 HG13 ILE 80 1HG1 ILE 80 -7.545 -20.154 23.354 623 HG21 ILE 80 1HG2 ILE 80 -10.866 -18.552 25.508 624 HG22 ILE 80 2HG2 ILE 80 -10.696 -18.201 23.787 625 HG23 ILE 80 3HG2 ILE 80 -9.585 -17.476 24.950 626 HD11 ILE 80 3HD1 ILE 80 -8.128 -19.053 21.291 627 HD12 ILE 80 1HD1 ILE 80 -9.541 -18.317 22.048 628 HD13 ILE 80 2HD1 ILE 80 -9.466 -20.067 21.831 629 H LEU 81 H LEU 81 -8.649 -18.691 28.179 630 HA LEU 81 HA LEU 81 -10.876 -20.368 29.115 631 HG LEU 81 HG LEU 81 -8.468 -20.447 31.974 632 HB2 LEU 81 2HB LEU 81 -8.958 -18.530 30.542 633 HB3 LEU 81 1HB LEU 81 -10.405 -19.134 31.323 634 HD11 LEU 81 1HD1 LEU 81 -9.302 -22.680 31.432 635 HD12 LEU 81 2HD1 LEU 81 -10.327 -21.993 30.172 636 HD13 LEU 81 3HD1 LEU 81 -10.611 -21.581 31.863 637 HD21 LEU 81 3HD2 LEU 81 -7.239 -21.823 30.368 638 HD22 LEU 81 1HD2 LEU 81 -7.068 -20.105 30.006 639 HD23 LEU 81 2HD2 LEU 81 -8.154 -21.106 29.041 640 H ARG 82 H ARG 82 -12.888 -19.626 28.866 641 HA ARG 82 HA ARG 82 -13.313 -16.723 28.617 642 HE ARG 82 HE ARG 82 -12.640 -16.990 24.169 643 HB2 ARG 82 2HB ARG 82 -14.974 -19.060 27.656 644 HB3 ARG 82 1HB ARG 82 -15.497 -17.382 27.553 645 HG2 ARG 82 2HG ARG 82 -13.093 -18.608 26.200 646 HG3 ARG 82 1HG ARG 82 -14.587 -18.070 25.425 647 HD2 ARG 82 2HD ARG 82 -14.127 -15.772 26.073 648 HD3 ARG 82 1HD ARG 82 -12.682 -16.280 26.943 649 HH11 ARG 82 1HH1 ARG 82 -12.067 -14.456 26.410 650 HH12 ARG 82 2HH1 ARG 82 -10.899 -13.676 25.408 651 HH21 ARG 82 1HH2 ARG 82 -11.153 -15.991 22.879 652 HH22 ARG 82 2HH2 ARG 82 -10.385 -14.539 23.419 653 H THR 83 H THR 83 -15.013 -15.681 29.672 654 HA THR 83 HA THR 83 -15.374 -16.265 32.372 655 HB THR 83 HB THR 83 -17.162 -14.551 32.355 656 HG1 THR 83 HG1 THR 83 -18.222 -14.207 30.557 657 HG21 THR 83 3HG2 THR 83 -14.824 -13.820 32.414 658 HG22 THR 83 1HG2 THR 83 -15.810 -12.684 31.492 659 HG23 THR 83 2HG2 THR 83 -14.764 -13.830 30.651 660 H ASP 84 H ASP 84 -17.276 -17.266 29.613 661 HA ASP 84 HA ASP 84 -19.616 -18.162 30.800 662 HB2 ASP 84 2HB ASP 84 -19.375 -18.138 28.406 663 HB3 ASP 84 1HB ASP 84 -18.034 -19.277 28.475 664 H GLY 85 H GLY 85 -16.425 -19.635 30.815 665 HA2 GLY 85 2HA GLY 85 -15.927 -21.117 32.726 666 HA3 GLY 85 1HA GLY 85 -17.489 -21.871 32.445 667 H SER 86 H SER 86 -17.058 -21.750 29.486 668 HA SER 86 HA SER 86 -15.735 -24.272 29.162 669 HG SER 86 HG SER 86 -17.834 -21.748 27.226 670 HB2 SER 86 2HB SER 86 -16.179 -23.884 26.712 671 HB3 SER 86 1HB SER 86 -17.615 -23.785 27.728 672 H GLU 87 H GLU 87 -13.894 -24.698 27.756 673 HA GLU 87 HA GLU 87 -12.080 -22.426 27.339 674 HB2 GLU 87 2HB GLU 87 -10.200 -23.581 28.332 675 HB3 GLU 87 1HB GLU 87 -11.489 -23.431 29.515 676 HG2 GLU 87 2HG GLU 87 -10.908 -25.929 27.923 677 HG3 GLU 87 1HG GLU 87 -10.306 -25.616 29.547 678 H GLU 88 H GLU 88 -10.596 -22.645 25.688 679 HA GLU 88 HA GLU 88 -10.526 -25.175 24.171 680 HB2 GLU 88 2HB GLU 88 -10.901 -22.409 22.986 681 HB3 GLU 88 1HB GLU 88 -10.465 -23.827 22.045 682 HG2 GLU 88 2HG GLU 88 -12.604 -24.887 22.831 683 HG3 GLU 88 1HG GLU 88 -13.041 -23.321 23.517 684 H ARG 89 H ARG 89 -8.740 -24.682 22.268 685 HA ARG 89 HA ARG 89 -6.523 -23.066 23.333 686 HE ARG 89 HE ARG 89 -4.901 -27.723 20.099 687 HB2 ARG 89 2HB ARG 89 -4.890 -24.770 23.004 688 HB3 ARG 89 1HB ARG 89 -6.199 -25.533 23.899 689 HG2 ARG 89 2HG ARG 89 -7.046 -26.528 21.836 690 HG3 ARG 89 1HG ARG 89 -5.758 -25.742 20.924 691 HD2 ARG 89 2HD ARG 89 -4.141 -26.996 22.462 692 HD3 ARG 89 1HD ARG 89 -5.539 -27.964 22.942 693 HH11 ARG 89 1HH1 ARG 89 -5.042 -29.701 22.917 694 HH12 ARG 89 2HH1 ARG 89 -4.808 -31.158 22.027 695 HH21 ARG 89 1HH2 ARG 89 -4.592 -29.573 18.984 696 HH22 ARG 89 2HH2 ARG 89 -4.567 -31.092 19.812 697 H PHE 90 H PHE 90 -4.776 -22.785 21.555 698 HA PHE 90 HA PHE 90 -5.671 -23.370 18.857 699 HD1 PHE 90 HD1 PHE 90 -6.080 -20.388 21.618 700 HD2 PHE 90 HD2 PHE 90 -3.835 -19.501 18.106 701 HE1 PHE 90 HE1 PHE 90 -5.045 -18.472 22.764 702 HE2 PHE 90 HE2 PHE 90 -2.796 -17.589 19.250 703 HZ PHE 90 HZ PHE 90 -3.403 -17.068 21.577 704 HB2 PHE 90 2HB PHE 90 -5.534 -21.096 18.009 705 HB3 PHE 90 1HB PHE 90 -6.744 -21.200 19.278 706 H SER 91 H SER 91 -4.034 -23.948 17.597 707 HA SER 91 HA SER 91 -1.311 -23.691 18.578 708 HG SER 91 HG SER 91 -1.411 -26.819 17.725 709 HB2 SER 91 2HB SER 91 -2.380 -25.060 16.087 710 HB3 SER 91 1HB SER 91 -0.714 -25.145 16.658 711 H TYR 92 H TYR 92 -0.682 -21.578 18.332 712 HA TYR 92 HA TYR 92 -1.206 -19.829 16.260 713 HD1 TYR 92 HD1 TYR 92 0.542 -21.053 19.772 714 HD2 TYR 92 HD2 TYR 92 3.050 -19.276 16.823 715 HE1 TYR 92 HE1 TYR 92 2.503 -22.119 20.805 716 HE2 TYR 92 HE2 TYR 92 5.015 -20.337 17.851 717 HH TYR 92 HH TYR 92 5.708 -21.260 19.972 718 HB2 TYR 92 2HB TYR 92 0.774 -18.565 17.034 719 HB3 TYR 92 1HB TYR 92 -0.226 -19.119 18.370 720 H LYS 93 H LYS 93 1.156 -22.402 16.319 721 HA LYS 93 HA LYS 93 2.782 -21.544 14.161 722 HB2 LYS 93 2HB LYS 93 3.563 -23.911 14.118 723 HB3 LYS 93 1HB LYS 93 3.606 -23.185 15.721 724 HG2 LYS 93 2HG LYS 93 1.505 -24.318 16.288 725 HG3 LYS 93 1HG LYS 93 1.473 -25.057 14.687 726 HD2 LYS 93 2HD LYS 93 3.677 -25.456 16.716 727 HD3 LYS 93 1HD LYS 93 2.326 -26.562 16.482 728 HE2 LYS 93 2HE LYS 93 3.043 -26.839 14.112 729 HE3 LYS 93 1HE LYS 93 4.462 -25.854 14.470 730 HZ1 LYS 93 3HZ LYS 93 4.926 -28.236 14.596 731 HZ2 LYS 93 1HZ LYS 93 3.773 -28.410 15.820 732 HZ3 LYS 93 2HZ LYS 93 5.162 -27.487 16.091 733 H LYS 94 H LYS 94 -0.348 -23.034 14.204 734 HA LYS 94 HA LYS 94 -0.129 -24.088 11.493 735 HB2 LYS 94 2HB LYS 94 -2.458 -24.027 13.426 736 HB3 LYS 94 1HB LYS 94 -2.490 -24.802 11.848 737 HG2 LYS 94 2HG LYS 94 -0.717 -26.336 12.568 738 HG3 LYS 94 1HG LYS 94 -0.696 -25.560 14.155 739 HD2 LYS 94 2HD LYS 94 -3.054 -26.201 14.482 740 HD3 LYS 94 1HD LYS 94 -3.048 -27.004 12.911 741 HE2 LYS 94 2HE LYS 94 -1.371 -28.579 13.691 742 HE3 LYS 94 1HE LYS 94 -1.260 -27.735 15.237 743 HZ1 LYS 94 3HZ LYS 94 -3.644 -28.270 15.572 744 HZ2 LYS 94 1HZ LYS 94 -2.647 -29.635 15.518 745 HZ3 LYS 94 2HZ LYS 94 -3.596 -29.229 14.182 746 H CYS 95 H CYS 95 -0.761 -21.093 12.804 747 HA CYS 95 HA CYS 95 -2.678 -20.314 10.711 748 HG CYS 95 HG CYS 95 -2.818 -17.286 10.791 749 HB2 CYS 95 2HB CYS 95 -3.374 -19.761 12.995 750 HB3 CYS 95 1HB CYS 95 -1.875 -18.877 13.255 751 H VAL 96 H VAL 96 -1.052 -20.295 9.070 752 HA VAL 96 HA VAL 96 0.883 -18.066 9.270 753 HB VAL 96 HB VAL 96 1.047 -20.520 7.503 754 HG11 VAL 96 1HG1 VAL 96 3.349 -19.744 7.033 755 HG12 VAL 96 2HG1 VAL 96 3.019 -18.273 7.950 756 HG13 VAL 96 3HG1 VAL 96 2.125 -18.608 6.467 757 HG21 VAL 96 3HG2 VAL 96 1.375 -21.093 9.857 758 HG22 VAL 96 1HG2 VAL 96 2.607 -19.837 10.000 759 HG23 VAL 96 2HG2 VAL 96 2.887 -21.234 8.961 760 H LEU 97 H LEU 97 -0.760 -19.890 6.666 761 HA LEU 97 HA LEU 97 -1.842 -17.496 5.465 762 HG LEU 97 HG LEU 97 1.056 -16.816 5.481 763 HB2 LEU 97 2HB LEU 97 0.531 -18.894 4.235 764 HB3 LEU 97 1HB LEU 97 -0.608 -18.004 3.246 765 HD11 LEU 97 1HD1 LEU 97 1.346 -16.606 2.481 766 HD12 LEU 97 2HD1 LEU 97 2.443 -17.437 3.585 767 HD13 LEU 97 3HD1 LEU 97 2.272 -15.685 3.668 768 HD21 LEU 97 3HD2 LEU 97 -0.792 -15.507 3.478 769 HD22 LEU 97 1HD2 LEU 97 0.251 -14.657 4.620 770 HD23 LEU 97 2HD2 LEU 97 -1.074 -15.658 5.213 771 H GLU 98 H GLU 98 -2.592 -18.171 3.072 772 HA GLU 98 HA GLU 98 -3.663 -20.927 3.137 773 HB2 GLU 98 2HB GLU 98 -5.262 -18.831 3.416 774 HB3 GLU 98 1HB GLU 98 -5.076 -18.707 1.676 775 HG2 GLU 98 2HG GLU 98 -6.130 -21.109 3.166 776 HG3 GLU 98 1HG GLU 98 -7.109 -19.914 2.321 777 H HIS 99 H HIS 99 -3.599 -22.070 1.158 778 HA HIS 99 HA HIS 99 -2.605 -22.757 -0.770 779 HD1 HIS 99 HD1 HIS 99 -1.518 -19.639 -3.467 780 HD2 HIS 99 HD2 HIS 99 -3.706 -23.152 -3.766 781 HE1 HIS 99 HE1 HIS 99 -1.019 -20.544 -5.751 782 HE2 HIS 99 HE2 HIS 99 -2.196 -22.764 -5.828 783 HB2 HIS 99 2HB HIS 99 -4.328 -21.278 -1.704 784 HB3 HIS 99 1HB HIS 99 -3.230 -19.908 -1.601 785 H HIS 100 H HIS 100 -0.671 -22.490 0.911 786 HA HIS 100 HA HIS 100 1.547 -21.455 -0.663 787 HD1 HIS 100 HD1 HIS 100 -0.648 -18.708 0.377 788 HD2 HIS 100 HD2 HIS 100 3.479 -18.566 -0.081 789 HE1 HIS 100 HE1 HIS 100 -0.189 -16.600 -0.899 790 HE2 HIS 100 HE2 HIS 100 2.284 -16.656 -1.353 791 HB2 HIS 100 2HB HIS 100 0.736 -20.309 1.981 792 HB3 HIS 100 1HB HIS 100 2.455 -20.459 1.636 793 H HIS 101 H HIS 101 3.064 -22.960 -0.724 794 HA HIS 101 HA HIS 101 3.896 -24.299 1.702 795 HD1 HIS 101 HD1 HIS 101 0.905 -25.050 -1.248 796 HD2 HIS 101 HD2 HIS 101 4.270 -27.428 -1.781 797 HE1 HIS 101 HE1 HIS 101 0.753 -25.920 -3.593 798 HE2 HIS 101 HE2 HIS 101 2.704 -27.477 -3.834 799 HB2 HIS 101 2HB HIS 101 3.707 -26.582 0.778 800 HB3 HIS 101 1HB HIS 101 2.141 -25.813 0.990 801 H HIS 102 H HIS 102 5.957 -23.652 1.623 802 HA HIS 102 HA HIS 102 7.489 -23.996 -0.866 803 HD1 HIS 102 HD1 HIS 102 7.750 -21.647 -1.971 804 HD2 HIS 102 HD2 HIS 102 6.825 -20.281 1.841 805 HE1 HIS 102 HE1 HIS 102 6.532 -19.482 -2.313 806 HE2 HIS 102 HE2 HIS 102 6.136 -18.592 0.006 807 HB2 HIS 102 2HB HIS 102 8.247 -22.565 1.700 808 HB3 HIS 102 1HB HIS 102 9.228 -22.630 0.239 809 H HIS 103 H HIS 103 9.186 -25.427 -1.039 810 HA HIS 103 HA HIS 103 9.702 -27.141 1.314 811 HD1 HIS 103 HD1 HIS 103 7.819 -27.359 -2.566 812 HD2 HIS 103 HD2 HIS 103 11.869 -28.296 -2.612 813 HE1 HIS 103 HE1 HIS 103 8.535 -27.134 -4.959 814 HE2 HIS 103 HE2 HIS 103 10.953 -27.826 -4.984 815 HB2 HIS 103 2HB HIS 103 10.340 -28.928 -0.318 816 HB3 HIS 103 1HB HIS 103 8.649 -28.455 -0.396 817 H HIS 104 H HIS 104 11.529 -26.486 2.250 818 HA HIS 104 HA HIS 104 13.811 -25.587 0.673 819 HD1 HIS 104 HD1 HIS 104 15.635 -26.847 4.208 820 HD2 HIS 104 HD2 HIS 104 15.861 -23.231 2.176 821 HE1 HIS 104 HE1 HIS 104 18.014 -26.086 4.454 822 HE2 HIS 104 HE2 HIS 104 18.083 -23.826 3.357 823 HB2 HIS 104 2HB HIS 104 13.339 -24.315 2.664 824 HB3 HIS 104 1HB HIS 104 13.323 -25.766 3.660 Start of MODEL 10 1 HA MET 1 HA MET 1 3.322 2.305 -0.782 2 H1 MET 1 1H MET 1 1.008 2.704 -0.270 3 H2 MET 1 2H MET 1 0.751 1.051 -0.023 4 H3 MET 1 3H MET 1 1.162 1.618 -1.560 5 HB2 MET 1 2HB MET 1 2.374 1.126 1.842 6 HB3 MET 1 1HB MET 1 4.040 1.584 1.505 7 HG2 MET 1 2HG MET 1 2.882 3.285 2.808 8 HG3 MET 1 1HG MET 1 3.371 3.904 1.230 9 HE1 MET 1 3HE MET 1 1.728 5.982 1.546 10 HE2 MET 1 1HE MET 1 1.258 5.352 3.125 11 HE3 MET 1 2HE MET 1 0.020 5.818 1.959 12 H ALA 2 H ALA 2 4.766 0.943 -1.667 13 HA ALA 2 HA ALA 2 4.101 -1.847 -2.010 14 HB1 ALA 2 3HB ALA 2 5.129 -0.588 -3.835 15 HB2 ALA 2 1HB ALA 2 6.131 -1.961 -3.368 16 HB3 ALA 2 2HB ALA 2 6.573 -0.331 -2.857 17 H LYS 3 H LYS 3 4.140 -2.625 0.156 18 HA LYS 3 HA LYS 3 6.668 -3.687 0.968 19 HB2 LYS 3 2HB LYS 3 6.958 -1.455 1.911 20 HB3 LYS 3 1HB LYS 3 5.403 -1.566 2.727 21 HG2 LYS 3 2HG LYS 3 6.260 -3.419 4.094 22 HG3 LYS 3 1HG LYS 3 7.824 -3.281 3.291 23 HD2 LYS 3 2HD LYS 3 6.492 -1.124 4.940 24 HD3 LYS 3 1HD LYS 3 7.802 -2.171 5.488 25 HE2 LYS 3 2HE LYS 3 9.190 -1.264 3.595 26 HE3 LYS 3 1HE LYS 3 7.901 -0.096 3.299 27 HZ1 LYS 3 3HZ LYS 3 9.467 -0.375 5.806 28 HZ2 LYS 3 1HZ LYS 3 8.199 0.721 5.569 29 HZ3 LYS 3 2HZ LYS 3 9.619 0.866 4.666 30 H ALA 4 H ALA 4 6.471 -5.382 2.462 31 HA ALA 4 HA ALA 4 3.810 -6.379 3.021 32 HB1 ALA 4 3HB ALA 4 5.633 -7.922 2.425 33 HB2 ALA 4 1HB ALA 4 4.952 -8.299 4.008 34 HB3 ALA 4 2HB ALA 4 6.500 -7.460 3.890 35 H GLN 5 H GLN 5 2.649 -5.822 4.762 36 HA GLN 5 HA GLN 5 3.510 -3.905 6.593 37 HB2 GLN 5 2HB GLN 5 1.404 -4.202 7.716 38 HB3 GLN 5 1HB GLN 5 1.136 -4.374 5.987 39 HG2 GLN 5 2HG GLN 5 1.131 -6.824 6.256 40 HG3 GLN 5 1HG GLN 5 1.329 -6.616 7.995 41 HE21 GLN 5 1HE2 GLN 5 -0.407 -5.709 9.190 42 HE22 GLN 5 2HE2 GLN 5 -2.022 -5.752 8.576 43 HA PRO 6 HA PRO 6 5.647 -6.344 9.729 44 HB2 PRO 6 2HB PRO 6 5.247 -3.971 11.442 45 HB3 PRO 6 1HB PRO 6 6.752 -4.723 10.907 46 HG2 PRO 6 2HG PRO 6 5.953 -2.346 9.947 47 HG3 PRO 6 1HG PRO 6 6.807 -3.523 8.929 48 HD2 PRO 6 2HD PRO 6 3.864 -2.916 9.062 49 HD3 PRO 6 1HD PRO 6 4.897 -3.176 7.637 50 H ILE 7 H ILE 7 5.035 -7.478 11.600 51 HA ILE 7 HA ILE 7 2.171 -7.497 12.108 52 HB ILE 7 HB ILE 7 4.392 -9.323 13.060 53 HG12 ILE 7 2HG1 ILE 7 3.114 -11.015 11.699 54 HG13 ILE 7 1HG1 ILE 7 2.083 -9.711 11.127 55 HG21 ILE 7 1HG2 ILE 7 2.727 -9.183 14.829 56 HG22 ILE 7 2HG2 ILE 7 2.644 -10.754 14.034 57 HG23 ILE 7 3HG2 ILE 7 1.437 -9.519 13.671 58 HD11 ILE 7 3HD1 ILE 7 3.771 -10.286 9.490 59 HD12 ILE 7 1HD1 ILE 7 5.047 -9.963 10.662 60 HD13 ILE 7 2HD1 ILE 7 4.025 -8.646 10.087 61 H GLU 8 H GLU 8 1.450 -5.968 13.481 62 HA GLU 8 HA GLU 8 2.960 -5.452 15.962 63 HB2 GLU 8 2HB GLU 8 2.451 -3.524 14.437 64 HB3 GLU 8 1HB GLU 8 0.742 -3.791 14.733 65 HG2 GLU 8 2HG GLU 8 2.568 -3.334 17.056 66 HG3 GLU 8 1HG GLU 8 2.089 -1.968 16.055 67 H ILE 9 H ILE 9 2.224 -6.315 17.797 68 HA ILE 9 HA ILE 9 -0.653 -6.938 18.059 69 HB ILE 9 HB ILE 9 1.616 -8.774 18.872 70 HG12 ILE 9 2HG1 ILE 9 -0.509 -9.104 16.728 71 HG13 ILE 9 1HG1 ILE 9 1.200 -8.793 16.441 72 HG21 ILE 9 1HG2 ILE 9 -0.250 -8.846 20.460 73 HG22 ILE 9 2HG2 ILE 9 -0.127 -10.350 19.550 74 HG23 ILE 9 3HG2 ILE 9 -1.370 -9.170 19.135 75 HD11 ILE 9 3HD1 ILE 9 0.680 -11.127 16.080 76 HD12 ILE 9 1HD1 ILE 9 0.035 -11.260 17.716 77 HD13 ILE 9 2HD1 ILE 9 1.753 -10.948 17.468 78 H ALA 10 H ALA 10 -1.440 -5.830 19.735 79 HA ALA 10 HA ALA 10 -1.771 -5.013 21.833 80 HB1 ALA 10 3HB ALA 10 -1.299 -7.335 22.494 81 HB2 ALA 10 1HB ALA 10 -0.772 -6.178 23.717 82 HB3 ALA 10 2HB ALA 10 0.411 -6.933 22.647 83 H GLY 11 H GLY 11 0.310 -3.791 20.056 84 HA2 GLY 11 2HA GLY 11 1.390 -1.703 20.431 85 HA3 GLY 11 1HA GLY 11 1.627 -2.148 22.114 86 H HIS 12 H HIS 12 2.470 -4.859 20.579 87 HA HIS 12 HA HIS 12 5.323 -4.166 20.607 88 HD1 HIS 12 HD1 HIS 12 6.479 -5.884 23.036 89 HD2 HIS 12 HD2 HIS 12 2.394 -6.563 22.700 90 HE1 HIS 12 HE1 HIS 12 5.623 -6.014 25.388 91 HE2 HIS 12 HE2 HIS 12 3.130 -6.233 25.155 92 HB2 HIS 12 2HB HIS 12 4.007 -6.894 20.425 93 HB3 HIS 12 1HB HIS 12 5.724 -6.581 20.665 94 H GLU 13 H GLU 13 6.059 -3.446 18.679 95 HA GLU 13 HA GLU 13 4.899 -4.369 16.189 96 HB2 GLU 13 2HB GLU 13 6.287 -2.727 15.093 97 HB3 GLU 13 1HB GLU 13 5.533 -1.993 16.497 98 HG2 GLU 13 2HG GLU 13 8.390 -2.959 16.342 99 HG3 GLU 13 1HG GLU 13 7.863 -1.285 16.197 100 H PHE 14 H PHE 14 5.646 -5.924 14.897 101 HA PHE 14 HA PHE 14 8.378 -6.966 15.345 102 HD1 PHE 14 HD1 PHE 14 8.666 -8.786 17.079 103 HD2 PHE 14 HD2 PHE 14 4.462 -8.707 16.389 104 HE1 PHE 14 HE1 PHE 14 8.268 -9.251 19.464 105 HE2 PHE 14 HE2 PHE 14 4.060 -9.168 18.770 106 HZ PHE 14 HZ PHE 14 5.962 -9.441 20.313 107 HB2 PHE 14 2HB PHE 14 5.895 -8.530 14.586 108 HB3 PHE 14 1HB PHE 14 7.512 -9.201 14.735 109 H ALA 15 H ALA 15 9.665 -7.285 13.570 110 HA ALA 15 HA ALA 15 9.098 -5.917 11.181 111 HB1 ALA 15 3HB ALA 15 11.368 -6.323 12.016 112 HB2 ALA 15 1HB ALA 15 11.183 -6.846 10.342 113 HB3 ALA 15 2HB ALA 15 11.198 -8.038 11.642 114 H ARG 16 H ARG 16 9.155 -9.440 11.807 115 HA ARG 16 HA ARG 16 7.246 -9.775 9.597 116 HE ARG 16 HE ARG 16 11.438 -10.604 8.185 117 HB2 ARG 16 2HB ARG 16 8.398 -11.828 8.823 118 HB3 ARG 16 1HB ARG 16 9.354 -10.378 8.583 119 HG2 ARG 16 2HG ARG 16 9.788 -12.058 11.024 120 HG3 ARG 16 1HG ARG 16 10.481 -12.542 9.475 121 HD2 ARG 16 2HD ARG 16 10.928 -9.896 10.863 122 HD3 ARG 16 1HD ARG 16 12.071 -11.240 10.811 123 HH11 ARG 16 1HH1 ARG 16 13.009 -9.113 10.861 124 HH12 ARG 16 2HH1 ARG 16 13.997 -8.114 9.856 125 HH21 ARG 16 1HH2 ARG 16 12.711 -9.343 6.919 126 HH22 ARG 16 2HH2 ARG 16 13.831 -8.241 7.641 127 H LYS 17 H LYS 17 6.439 -12.162 9.592 128 HA LYS 17 HA LYS 17 4.960 -12.556 11.931 129 HB2 LYS 17 2HB LYS 17 4.381 -13.399 9.647 130 HB3 LYS 17 1HB LYS 17 5.630 -14.621 9.820 131 HG2 LYS 17 2HG LYS 17 3.774 -15.826 10.390 132 HG3 LYS 17 1HG LYS 17 4.289 -15.265 11.980 133 HD2 LYS 17 2HD LYS 17 2.642 -13.490 11.940 134 HD3 LYS 17 1HD LYS 17 2.203 -13.887 10.277 135 HE2 LYS 17 2HE LYS 17 1.589 -16.206 11.177 136 HE3 LYS 17 1HE LYS 17 1.685 -15.478 12.781 137 HZ1 LYS 17 3HZ LYS 17 -0.056 -14.491 10.591 138 HZ2 LYS 17 1HZ LYS 17 -0.039 -13.940 12.187 139 HZ3 LYS 17 2HZ LYS 17 -0.575 -15.507 11.834 140 H ALA 18 H ALA 18 7.959 -14.094 10.857 141 HA ALA 18 HA ALA 18 8.236 -16.141 12.692 142 HB1 ALA 18 3HB ALA 18 10.656 -15.959 12.343 143 HB2 ALA 18 1HB ALA 18 10.431 -14.370 11.607 144 HB3 ALA 18 2HB ALA 18 9.772 -15.807 10.825 145 H ASP 19 H ASP 19 8.752 -12.699 13.178 146 HA ASP 19 HA ASP 19 10.001 -12.833 15.713 147 HB2 ASP 19 2HB ASP 19 8.360 -10.711 14.337 148 HB3 ASP 19 1HB ASP 19 9.044 -10.468 15.936 149 H ALA 20 H ALA 20 6.578 -12.258 14.850 150 HA ALA 20 HA ALA 20 5.545 -12.207 17.452 151 HB1 ALA 20 3HB ALA 20 4.169 -13.124 14.922 152 HB2 ALA 20 1HB ALA 20 4.280 -11.461 15.500 153 HB3 ALA 20 2HB ALA 20 3.368 -12.655 16.422 154 H LEU 21 H LEU 21 5.958 -14.942 15.218 155 HA LEU 21 HA LEU 21 4.860 -16.950 16.873 156 HG LEU 21 HG LEU 21 4.963 -16.331 13.768 157 HB2 LEU 21 2HB LEU 21 7.033 -17.196 14.780 158 HB3 LEU 21 1HB LEU 21 6.141 -18.537 15.475 159 HD11 LEU 21 1HD1 LEU 21 6.355 -17.894 12.495 160 HD12 LEU 21 2HD1 LEU 21 4.647 -18.070 12.094 161 HD13 LEU 21 3HD1 LEU 21 5.431 -19.248 13.147 162 HD21 LEU 21 3HD2 LEU 21 3.358 -17.121 15.428 163 HD22 LEU 21 1HD2 LEU 21 3.659 -18.790 14.943 164 HD23 LEU 21 2HD2 LEU 21 2.909 -17.664 13.812 165 H ALA 22 H ALA 22 8.181 -15.714 16.574 166 HA ALA 22 HA ALA 22 9.434 -17.501 18.349 167 HB1 ALA 22 3HB ALA 22 10.659 -16.026 16.815 168 HB2 ALA 22 1HB ALA 22 11.229 -15.856 18.475 169 HB3 ALA 22 2HB ALA 22 10.173 -14.629 17.773 170 H PHE 23 H PHE 23 7.988 -14.296 18.952 171 HA PHE 23 HA PHE 23 8.558 -14.120 21.685 172 HD1 PHE 23 HD1 PHE 23 8.660 -11.358 22.369 173 HD2 PHE 23 HD2 PHE 23 4.648 -12.782 22.165 174 HE1 PHE 23 HE1 PHE 23 8.132 -10.167 24.456 175 HE2 PHE 23 HE2 PHE 23 4.122 -11.599 24.256 176 HZ PHE 23 HZ PHE 23 5.862 -10.289 25.402 177 HB2 PHE 23 2HB PHE 23 7.684 -12.254 20.262 178 HB3 PHE 23 1HB PHE 23 6.100 -13.022 20.287 179 H MET 24 H MET 24 5.460 -15.141 20.195 180 HA MET 24 HA MET 24 4.237 -16.146 22.469 181 HB2 MET 24 2HB MET 24 3.963 -16.970 19.581 182 HB3 MET 24 1HB MET 24 2.948 -17.632 20.855 183 HG2 MET 24 2HG MET 24 2.162 -15.369 21.393 184 HG3 MET 24 1HG MET 24 3.155 -14.724 20.087 185 HE1 MET 24 3HE MET 24 2.808 -16.883 17.786 186 HE2 MET 24 1HE MET 24 2.719 -15.139 17.547 187 HE3 MET 24 2HE MET 24 1.449 -16.182 16.908 188 H LYS 25 H LYS 25 6.612 -17.734 20.386 189 HA LYS 25 HA LYS 25 6.360 -20.335 21.468 190 HB2 LYS 25 2HB LYS 25 7.560 -19.810 19.357 191 HB3 LYS 25 1HB LYS 25 8.831 -19.035 20.292 192 HG2 LYS 25 2HG LYS 25 9.572 -21.223 19.688 193 HG3 LYS 25 1HG LYS 25 9.252 -21.215 21.423 194 HD2 LYS 25 2HD LYS 25 7.034 -22.242 20.977 195 HD3 LYS 25 1HD LYS 25 7.442 -22.319 19.263 196 HE2 LYS 25 2HE LYS 25 8.841 -23.735 21.532 197 HE3 LYS 25 1HE LYS 25 7.845 -24.472 20.278 198 HZ1 LYS 25 3HZ LYS 25 10.176 -24.760 19.799 199 HZ2 LYS 25 1HZ LYS 25 10.443 -23.093 19.857 200 HZ3 LYS 25 2HZ LYS 25 9.482 -23.756 18.633 201 H VAL 26 H VAL 26 8.670 -17.725 22.251 202 HA VAL 26 HA VAL 26 10.016 -19.078 24.316 203 HB VAL 26 HB VAL 26 9.660 -16.095 23.930 204 HG11 VAL 26 1HG1 VAL 26 10.368 -16.612 26.215 205 HG12 VAL 26 2HG1 VAL 26 11.674 -15.850 25.307 206 HG13 VAL 26 3HG1 VAL 26 11.698 -17.590 25.590 207 HG21 VAL 26 3HG2 VAL 26 10.691 -17.194 21.999 208 HG22 VAL 26 1HG2 VAL 26 11.895 -17.936 23.052 209 HG23 VAL 26 2HG2 VAL 26 11.859 -16.183 22.849 210 H MET 27 H MET 27 7.423 -16.604 24.572 211 HA MET 27 HA MET 27 7.131 -16.670 27.350 212 HB2 MET 27 2HB MET 27 4.946 -15.656 27.004 213 HB3 MET 27 1HB MET 27 6.101 -14.976 25.865 214 HG2 MET 27 2HG MET 27 5.202 -16.713 24.213 215 HG3 MET 27 1HG MET 27 3.866 -16.900 25.344 216 HE1 MET 27 3HE MET 27 2.170 -14.958 25.959 217 HE2 MET 27 1HE MET 27 2.261 -13.326 25.297 218 HE3 MET 27 2HE MET 27 3.494 -13.889 26.425 219 H LEU 28 H LEU 28 5.668 -18.748 24.878 220 HA LEU 28 HA LEU 28 3.939 -20.225 26.545 221 HG LEU 28 HG LEU 28 4.394 -23.039 25.130 222 HB2 LEU 28 2HB LEU 28 3.826 -20.253 24.096 223 HB3 LEU 28 1HB LEU 28 5.377 -21.064 24.021 224 HD11 LEU 28 1HD1 LEU 28 1.957 -23.207 25.381 225 HD12 LEU 28 2HD1 LEU 28 1.798 -21.509 24.931 226 HD13 LEU 28 3HD1 LEU 28 2.639 -21.952 26.416 227 HD21 LEU 28 3HD2 LEU 28 3.037 -23.788 23.235 228 HD22 LEU 28 1HD2 LEU 28 4.474 -22.922 22.692 229 HD23 LEU 28 2HD2 LEU 28 2.901 -22.125 22.668 230 H ASN 29 H ASN 29 7.303 -20.858 25.542 231 HA ASN 29 HA ASN 29 7.518 -23.260 27.115 232 HB2 ASN 29 2HB ASN 29 9.591 -21.593 25.673 233 HB3 ASN 29 1HB ASN 29 9.964 -23.093 26.515 234 HD21 ASN 29 1HD2 ASN 29 7.041 -22.489 24.650 235 HD22 ASN 29 2HD2 ASN 29 7.391 -23.631 23.414 236 H ARG 30 H ARG 30 7.758 -19.944 27.806 237 HA ARG 30 HA ARG 30 9.466 -20.124 30.103 238 HE ARG 30 HE ARG 30 7.756 -16.254 33.112 239 HB2 ARG 30 2HB ARG 30 9.328 -18.016 29.025 240 HB3 ARG 30 1HB ARG 30 7.575 -18.025 29.046 241 HG2 ARG 30 2HG ARG 30 8.820 -18.085 31.713 242 HG3 ARG 30 1HG ARG 30 9.154 -16.632 30.770 243 HD2 ARG 30 2HD ARG 30 6.718 -16.364 30.390 244 HD3 ARG 30 1HD ARG 30 6.428 -17.757 31.431 245 HH11 ARG 30 1HH1 ARG 30 5.408 -15.207 30.818 246 HH12 ARG 30 2HH1 ARG 30 4.848 -13.921 31.822 247 HH21 ARG 30 1HH2 ARG 30 7.058 -14.597 34.365 248 HH22 ARG 30 2HH2 ARG 30 5.764 -13.584 33.817 249 H TYR 31 H TYR 31 5.965 -20.294 29.567 250 HA TYR 31 HA TYR 31 5.431 -20.729 32.393 251 HD1 TYR 31 HD1 TYR 31 2.900 -19.433 33.230 252 HD2 TYR 31 HD2 TYR 31 3.990 -18.668 29.186 253 HE1 TYR 31 HE1 TYR 31 2.380 -17.049 33.542 254 HE2 TYR 31 HE2 TYR 31 3.473 -16.287 29.489 255 HH TYR 31 HH TYR 31 2.486 -14.775 30.841 256 HB2 TYR 31 2HB TYR 31 3.656 -20.928 29.946 257 HB3 TYR 31 1HB TYR 31 3.096 -21.267 31.578 258 H ARG 32 H ARG 32 4.565 -22.723 33.242 259 HA ARG 32 HA ARG 32 5.763 -25.085 32.014 260 HE ARG 32 HE ARG 32 8.438 -23.849 35.992 261 HB2 ARG 32 2HB ARG 32 4.391 -24.631 34.676 262 HB3 ARG 32 1HB ARG 32 4.926 -26.215 34.138 263 HG2 ARG 32 2HG ARG 32 6.545 -25.277 35.651 264 HG3 ARG 32 1HG ARG 32 7.242 -25.382 34.037 265 HD2 ARG 32 2HD ARG 32 6.927 -23.010 33.693 266 HD3 ARG 32 1HD ARG 32 6.052 -22.866 35.219 267 HH11 ARG 32 1HH1 ARG 32 7.625 -21.172 33.965 268 HH12 ARG 32 2HH1 ARG 32 8.998 -20.254 34.462 269 HH21 ARG 32 1HH2 ARG 32 10.181 -22.652 36.607 270 HH22 ARG 32 2HH2 ARG 32 10.426 -21.078 35.931 271 HA PRO 33 HA PRO 33 1.983 -26.723 30.311 272 HB2 PRO 33 2HB PRO 33 2.178 -29.395 30.764 273 HB3 PRO 33 1HB PRO 33 3.191 -28.545 29.592 274 HG2 PRO 33 2HG PRO 33 3.835 -29.377 32.400 275 HG3 PRO 33 1HG PRO 33 4.827 -29.515 30.937 276 HD2 PRO 33 2HD PRO 33 5.178 -27.536 32.759 277 HD3 PRO 33 1HD PRO 33 5.494 -27.305 31.027 278 H GLY 34 H GLY 34 1.393 -25.564 32.714 279 HA2 GLY 34 2HA GLY 34 -1.073 -26.703 33.373 280 HA3 GLY 34 1HA GLY 34 0.078 -27.178 34.613 281 H ASP 35 H ASP 35 0.462 -24.087 33.034 282 HA ASP 35 HA ASP 35 -0.259 -22.783 35.583 283 HB2 ASP 35 2HB ASP 35 1.757 -21.956 33.483 284 HB3 ASP 35 1HB ASP 35 1.325 -20.979 34.882 285 H ILE 36 H ILE 36 -1.094 -20.610 35.498 286 HA ILE 36 HA ILE 36 -2.872 -20.099 33.233 287 HB ILE 36 HB ILE 36 -2.576 -18.587 35.846 288 HG12 ILE 36 2HG1 ILE 36 -3.357 -20.894 36.201 289 HG13 ILE 36 1HG1 ILE 36 -4.623 -19.724 36.559 290 HG21 ILE 36 1HG2 ILE 36 -4.710 -18.415 33.716 291 HG22 ILE 36 2HG2 ILE 36 -3.514 -17.180 34.106 292 HG23 ILE 36 3HG2 ILE 36 -4.761 -17.599 35.280 293 HD11 ILE 36 3HD1 ILE 36 -5.678 -20.197 34.420 294 HD12 ILE 36 1HD1 ILE 36 -5.481 -21.668 35.373 295 HD13 ILE 36 2HD1 ILE 36 -4.391 -21.338 34.027 296 H VAL 37 H VAL 37 -2.606 -18.435 31.799 297 HA VAL 37 HA VAL 37 -0.069 -17.122 31.614 298 HB VAL 37 HB VAL 37 -2.631 -16.635 30.068 299 HG11 VAL 37 1HG1 VAL 37 0.186 -15.718 29.470 300 HG12 VAL 37 2HG1 VAL 37 -1.174 -14.691 29.925 301 HG13 VAL 37 3HG1 VAL 37 -1.196 -15.553 28.387 302 HG21 VAL 37 3HG2 VAL 37 -0.193 -18.290 29.388 303 HG22 VAL 37 1HG2 VAL 37 -1.553 -17.982 28.308 304 HG23 VAL 37 2HG2 VAL 37 -1.796 -18.907 29.790 305 H SER 38 H SER 38 0.511 -15.033 32.083 306 HA SER 38 HA SER 38 -0.860 -13.587 34.076 307 HG SER 38 HG SER 38 2.582 -13.776 33.232 308 HB2 SER 38 2HB SER 38 1.265 -12.553 32.175 309 HB3 SER 38 1HB SER 38 0.808 -11.833 33.718 310 H THR 39 H THR 39 -1.647 -11.332 33.927 311 HA THR 39 HA THR 39 -3.745 -11.064 32.086 312 HB THR 39 HB THR 39 -2.463 -8.844 33.706 313 HG1 THR 39 HG1 THR 39 -3.218 -9.995 35.316 314 HG21 THR 39 3HG2 THR 39 -3.968 -7.999 31.962 315 HG22 THR 39 1HG2 THR 39 -4.673 -7.772 33.562 316 HG23 THR 39 2HG2 THR 39 -5.242 -9.081 32.525 317 H VAL 40 H VAL 40 -0.599 -9.351 32.167 318 HA VAL 40 HA VAL 40 -0.996 -7.794 29.845 319 HB VAL 40 HB VAL 40 1.635 -8.820 30.947 320 HG11 VAL 40 1HG1 VAL 40 1.856 -7.972 28.671 321 HG12 VAL 40 2HG1 VAL 40 2.625 -6.875 29.817 322 HG13 VAL 40 3HG1 VAL 40 1.049 -6.472 29.135 323 HG21 VAL 40 3HG2 VAL 40 1.757 -6.661 32.125 324 HG22 VAL 40 1HG2 VAL 40 0.382 -7.627 32.658 325 HG23 VAL 40 2HG2 VAL 40 0.133 -6.269 31.560 326 H ASP 41 H ASP 41 0.787 -10.858 30.238 327 HA ASP 41 HA ASP 41 1.384 -11.396 27.579 328 HB2 ASP 41 2HB ASP 41 0.682 -13.374 29.769 329 HB3 ASP 41 1HB ASP 41 1.530 -13.764 28.275 330 H GLY 42 H GLY 42 -1.563 -12.121 29.408 331 HA2 GLY 42 2HA GLY 42 -2.958 -13.547 27.420 332 HA3 GLY 42 1HA GLY 42 -3.693 -12.659 28.747 333 H ALA 43 H ALA 43 -2.883 -10.060 28.142 334 HA ALA 43 HA ALA 43 -4.743 -9.160 26.272 335 HB1 ALA 43 3HB ALA 43 -3.615 -7.004 26.402 336 HB2 ALA 43 1HB ALA 43 -2.196 -7.769 27.118 337 HB3 ALA 43 2HB ALA 43 -3.723 -7.739 28.002 338 H PHE 44 H PHE 44 -1.333 -9.980 25.842 339 HA PHE 44 HA PHE 44 -1.073 -9.200 23.131 340 HD1 PHE 44 HD1 PHE 44 0.709 -12.725 22.534 341 HD2 PHE 44 HD2 PHE 44 1.996 -8.675 22.839 342 HE1 PHE 44 HE1 PHE 44 2.127 -13.031 20.554 343 HE2 PHE 44 HE2 PHE 44 3.419 -8.978 20.856 344 HZ PHE 44 HZ PHE 44 3.485 -11.157 19.708 345 HB2 PHE 44 2HB PHE 44 0.837 -9.712 24.651 346 HB3 PHE 44 1HB PHE 44 0.391 -11.412 24.604 347 H LEU 45 H LEU 45 -1.920 -12.308 24.639 348 HA LEU 45 HA LEU 45 -2.241 -13.800 22.276 349 HG LEU 45 HG LEU 45 -0.980 -14.493 24.853 350 HB2 LEU 45 2HB LEU 45 -3.454 -14.113 25.019 351 HB3 LEU 45 1HB LEU 45 -3.676 -15.289 23.737 352 HD11 LEU 45 1HD1 LEU 45 -2.648 -16.941 25.442 353 HD12 LEU 45 2HD1 LEU 45 -2.311 -15.618 26.560 354 HD13 LEU 45 3HD1 LEU 45 -0.999 -16.651 25.996 355 HD21 LEU 45 3HD2 LEU 45 -1.808 -16.750 23.022 356 HD22 LEU 45 1HD2 LEU 45 -0.184 -16.479 23.658 357 HD23 LEU 45 2HD2 LEU 45 -0.904 -15.309 22.553 358 H VAL 46 H VAL 46 -4.569 -11.814 24.086 359 HA VAL 46 HA VAL 46 -6.892 -12.455 22.644 360 HB VAL 46 HB VAL 46 -6.151 -9.788 23.881 361 HG11 VAL 46 1HG1 VAL 46 -8.858 -10.852 23.052 362 HG12 VAL 46 2HG1 VAL 46 -7.978 -9.528 22.287 363 HG13 VAL 46 3HG1 VAL 46 -8.575 -9.352 23.937 364 HG21 VAL 46 3HG2 VAL 46 -7.446 -10.540 25.814 365 HG22 VAL 46 1HG2 VAL 46 -6.101 -11.635 25.491 366 HG23 VAL 46 2HG2 VAL 46 -7.740 -12.091 25.026 367 H GLU 47 H GLU 47 -4.521 -9.854 22.091 368 HA GLU 47 HA GLU 47 -5.625 -8.857 19.703 369 HB2 GLU 47 2HB GLU 47 -2.770 -8.856 20.703 370 HB3 GLU 47 1HB GLU 47 -3.320 -7.950 19.299 371 HG2 GLU 47 2HG GLU 47 -4.317 -7.595 22.119 372 HG3 GLU 47 1HG GLU 47 -3.163 -6.552 21.290 373 H ALA 48 H ALA 48 -3.049 -11.272 20.206 374 HA ALA 48 HA ALA 48 -2.537 -11.907 17.538 375 HB1 ALA 48 3HB ALA 48 -2.489 -13.769 19.918 376 HB2 ALA 48 1HB ALA 48 -1.173 -12.709 19.413 377 HB3 ALA 48 2HB ALA 48 -1.682 -14.039 18.373 378 H LEU 49 H LEU 49 -5.055 -13.113 19.714 379 HA LEU 49 HA LEU 49 -6.141 -15.087 18.024 380 HG LEU 49 HG LEU 49 -9.154 -14.823 18.842 381 HB2 LEU 49 2HB LEU 49 -6.593 -14.866 20.458 382 HB3 LEU 49 1HB LEU 49 -7.562 -13.444 20.125 383 HD11 LEU 49 1HD1 LEU 49 -7.632 -16.542 18.040 384 HD12 LEU 49 2HD1 LEU 49 -8.986 -17.268 18.903 385 HD13 LEU 49 3HD1 LEU 49 -7.411 -17.140 19.685 386 HD21 LEU 49 3HD2 LEU 49 -9.528 -14.451 21.235 387 HD22 LEU 49 1HD2 LEU 49 -8.596 -15.901 21.612 388 HD23 LEU 49 2HD2 LEU 49 -10.120 -16.034 20.732 389 H LYS 50 H LYS 50 -7.020 -11.652 18.454 390 HA LYS 50 HA LYS 50 -9.125 -11.464 16.643 391 HB2 LYS 50 2HB LYS 50 -6.962 -9.443 17.274 392 HB3 LYS 50 1HB LYS 50 -8.410 -9.071 16.350 393 HG2 LYS 50 2HG LYS 50 -9.803 -9.594 18.271 394 HG3 LYS 50 1HG LYS 50 -8.374 -10.052 19.202 395 HD2 LYS 50 2HD LYS 50 -7.518 -7.776 19.064 396 HD3 LYS 50 1HD LYS 50 -8.881 -7.302 18.049 397 HE2 LYS 50 2HE LYS 50 -9.085 -8.285 20.898 398 HE3 LYS 50 1HE LYS 50 -9.153 -6.596 20.396 399 HZ1 LYS 50 3HZ LYS 50 -11.118 -7.208 19.024 400 HZ2 LYS 50 1HZ LYS 50 -11.361 -7.367 20.688 401 HZ3 LYS 50 2HZ LYS 50 -11.098 -8.739 19.745 402 H ARG 51 H ARG 51 -5.670 -11.603 16.029 403 HA ARG 51 HA ARG 51 -5.924 -10.980 13.214 404 HE ARG 51 HE ARG 51 -4.743 -9.222 15.993 405 HB2 ARG 51 2HB ARG 51 -3.710 -11.439 15.122 406 HB3 ARG 51 1HB ARG 51 -3.384 -11.948 13.473 407 HG2 ARG 51 2HG ARG 51 -2.995 -9.848 12.851 408 HG3 ARG 51 1HG ARG 51 -4.584 -9.343 13.419 409 HD2 ARG 51 2HD ARG 51 -2.234 -9.665 15.277 410 HD3 ARG 51 1HD ARG 51 -2.553 -8.162 14.411 411 HH11 ARG 51 1HH1 ARG 51 -2.066 -7.040 15.875 412 HH12 ARG 51 2HH1 ARG 51 -2.706 -6.028 17.117 413 HH21 ARG 51 1HH2 ARG 51 -5.551 -7.886 17.577 414 HH22 ARG 51 2HH2 ARG 51 -4.648 -6.495 18.069 415 H HIS 52 H HIS 52 -7.444 -13.299 14.102 416 HA HIS 52 HA HIS 52 -6.262 -15.318 12.286 417 HD1 HIS 52 HD1 HIS 52 -5.528 -18.257 13.524 418 HD2 HIS 52 HD2 HIS 52 -5.556 -15.137 16.258 419 HE1 HIS 52 HE1 HIS 52 -3.474 -18.582 14.930 420 HE2 HIS 52 HE2 HIS 52 -3.469 -16.634 16.525 421 HB2 HIS 52 2HB HIS 52 -7.908 -15.724 14.791 422 HB3 HIS 52 1HB HIS 52 -7.727 -16.986 13.578 423 HA PRO 53 HA PRO 53 -10.011 -14.824 9.857 424 HB2 PRO 53 2HB PRO 53 -9.990 -17.195 8.514 425 HB3 PRO 53 1HB PRO 53 -8.898 -15.861 8.122 426 HG2 PRO 53 2HG PRO 53 -8.375 -18.318 9.761 427 HG3 PRO 53 1HG PRO 53 -7.352 -17.559 8.527 428 HD2 PRO 53 2HD PRO 53 -6.932 -17.206 11.180 429 HD3 PRO 53 1HD PRO 53 -6.572 -15.942 9.986 430 H ASP 54 H ASP 54 -9.488 -17.373 12.123 431 HA ASP 54 HA ASP 54 -12.327 -18.147 12.155 432 HB2 ASP 54 2HB ASP 54 -9.971 -19.307 13.671 433 HB3 ASP 54 1HB ASP 54 -11.603 -19.966 13.638 434 H ALA 55 H ALA 55 -10.950 -15.587 13.280 435 HA ALA 55 HA ALA 55 -10.685 -15.544 16.007 436 HB1 ALA 55 3HB ALA 55 -11.880 -13.321 14.351 437 HB2 ALA 55 1HB ALA 55 -10.156 -13.657 14.514 438 HB3 ALA 55 2HB ALA 55 -11.094 -13.158 15.922 439 H THR 56 H THR 56 -13.719 -14.625 14.327 440 HA THR 56 HA THR 56 -15.319 -14.175 16.517 441 HB THR 56 HB THR 56 -16.117 -13.698 14.276 442 HG1 THR 56 HG1 THR 56 -17.941 -15.649 15.224 443 HG21 THR 56 3HG2 THR 56 -16.902 -15.463 12.766 444 HG22 THR 56 1HG2 THR 56 -16.355 -16.695 13.907 445 HG23 THR 56 2HG2 THR 56 -15.182 -15.650 13.107 446 H SER 57 H SER 57 -14.568 -17.311 15.065 447 HA SER 57 HA SER 57 -16.451 -18.806 16.618 448 HG SER 57 HG SER 57 -14.817 -21.754 15.234 449 HB2 SER 57 2HB SER 57 -15.686 -19.676 14.484 450 HB3 SER 57 1HB SER 57 -14.016 -19.695 15.047 451 H LYS 58 H LYS 58 -13.000 -18.076 16.973 452 HA LYS 58 HA LYS 58 -12.783 -19.720 19.368 453 HB2 LYS 58 2HB LYS 58 -10.821 -18.076 17.784 454 HB3 LYS 58 1HB LYS 58 -10.406 -18.679 19.382 455 HG2 LYS 58 2HG LYS 58 -9.529 -20.175 17.727 456 HG3 LYS 58 1HG LYS 58 -10.833 -20.987 18.591 457 HD2 LYS 58 2HD LYS 58 -12.359 -20.552 16.733 458 HD3 LYS 58 1HD LYS 58 -11.094 -19.665 15.880 459 HE2 LYS 58 2HE LYS 58 -11.333 -21.931 14.998 460 HE3 LYS 58 1HE LYS 58 -9.750 -21.704 15.739 461 HZ1 LYS 58 3HZ LYS 58 -12.071 -23.040 17.017 462 HZ2 LYS 58 1HZ LYS 58 -10.536 -22.851 17.704 463 HZ3 LYS 58 2HZ LYS 58 -10.736 -23.824 16.340 464 H ILE 59 H ILE 59 -13.678 -16.513 18.678 465 HA ILE 59 HA ILE 59 -12.899 -15.524 21.322 466 HB ILE 59 HB ILE 59 -14.253 -14.110 19.010 467 HG12 ILE 59 2HG1 ILE 59 -11.480 -13.813 20.209 468 HG13 ILE 59 1HG1 ILE 59 -11.849 -14.622 18.691 469 HG21 ILE 59 1HG2 ILE 59 -14.006 -12.046 20.308 470 HG22 ILE 59 2HG2 ILE 59 -13.375 -12.972 21.670 471 HG23 ILE 59 3HG2 ILE 59 -15.042 -13.201 21.146 472 HD11 ILE 59 3HD1 ILE 59 -10.965 -12.397 18.317 473 HD12 ILE 59 1HD1 ILE 59 -12.269 -11.701 19.276 474 HD13 ILE 59 2HD1 ILE 59 -12.632 -12.512 17.752 475 H GLY 60 H GLY 60 -15.926 -15.737 19.410 476 HA2 GLY 60 2HA GLY 60 -18.116 -15.956 20.051 477 HA3 GLY 60 1HA GLY 60 -17.510 -16.770 21.484 478 HA PRO 61 HA PRO 61 -19.500 -13.177 23.392 479 HB2 PRO 61 2HB PRO 61 -19.339 -14.035 25.957 480 HB3 PRO 61 1HB PRO 61 -20.518 -14.689 24.812 481 HG2 PRO 61 2HG PRO 61 -17.862 -15.820 25.642 482 HG3 PRO 61 1HG PRO 61 -19.424 -16.650 25.488 483 HD2 PRO 61 2HD PRO 61 -17.525 -16.778 23.560 484 HD3 PRO 61 1HD PRO 61 -19.260 -16.795 23.178 485 H GLY 62 H GLY 62 -16.302 -14.420 24.051 486 HA2 GLY 62 2HA GLY 62 -14.827 -12.216 24.049 487 HA3 GLY 62 1HA GLY 62 -15.561 -12.071 25.635 488 H VAL 63 H VAL 63 -12.887 -12.112 25.521 489 HA VAL 63 HA VAL 63 -11.918 -14.828 25.960 490 HB VAL 63 HB VAL 63 -10.432 -12.190 26.064 491 HG11 VAL 63 1HG1 VAL 63 -9.390 -15.027 26.052 492 HG12 VAL 63 2HG1 VAL 63 -9.332 -13.897 27.406 493 HG13 VAL 63 3HG1 VAL 63 -8.403 -13.569 25.944 494 HG21 VAL 63 3HG2 VAL 63 -9.535 -12.840 23.867 495 HG22 VAL 63 1HG2 VAL 63 -11.289 -12.657 23.824 496 HG23 VAL 63 2HG2 VAL 63 -10.571 -14.267 23.870 497 H ARG 64 H ARG 64 -11.836 -15.747 27.926 498 HA ARG 64 HA ARG 64 -12.123 -14.084 30.319 499 HE ARG 64 HE ARG 64 -12.462 -17.211 34.321 500 HB2 ARG 64 2HB ARG 64 -13.567 -16.066 30.101 501 HB3 ARG 64 1HB ARG 64 -12.147 -17.102 30.020 502 HG2 ARG 64 2HG ARG 64 -11.529 -16.399 32.299 503 HG3 ARG 64 1HG ARG 64 -12.986 -15.409 32.372 504 HD2 ARG 64 2HD ARG 64 -14.398 -17.324 32.284 505 HD3 ARG 64 1HD ARG 64 -13.049 -18.383 31.864 506 HH11 ARG 64 1HH1 ARG 64 -14.882 -19.319 33.051 507 HH12 ARG 64 2HH1 ARG 64 -15.030 -20.210 34.525 508 HH21 ARG 64 1HH2 ARG 64 -12.686 -18.348 36.205 509 HH22 ARG 64 2HH2 ARG 64 -13.814 -19.654 36.294 510 H ASN 65 H ASN 65 -10.088 -16.943 29.545 511 HA ASN 65 HA ASN 65 -7.666 -15.524 30.200 512 HB2 ASN 65 2HB ASN 65 -6.991 -17.162 32.011 513 HB3 ASN 65 1HB ASN 65 -8.242 -16.010 32.460 514 HD21 ASN 65 1HD2 ASN 65 -7.550 -19.354 31.751 515 HD22 ASN 65 2HD2 ASN 65 -9.022 -19.977 32.398 516 H PHE 66 H PHE 66 -5.822 -17.430 30.455 517 HA PHE 66 HA PHE 66 -6.255 -19.425 28.332 518 HD1 PHE 66 HD1 PHE 66 -5.365 -15.530 28.049 519 HD2 PHE 66 HD2 PHE 66 -5.310 -18.865 25.395 520 HE1 PHE 66 HE1 PHE 66 -6.422 -14.158 26.303 521 HE2 PHE 66 HE2 PHE 66 -6.366 -17.494 23.649 522 HZ PHE 66 HZ PHE 66 -6.924 -15.136 24.099 523 HB2 PHE 66 2HB PHE 66 -3.930 -17.482 28.462 524 HB3 PHE 66 1HB PHE 66 -3.987 -18.881 27.401 525 H GLU 67 H GLU 67 -5.532 -21.399 28.944 526 HA GLU 67 HA GLU 67 -3.553 -21.605 31.106 527 HB2 GLU 67 2HB GLU 67 -5.605 -23.478 29.994 528 HB3 GLU 67 1HB GLU 67 -4.164 -24.171 30.720 529 HG2 GLU 67 2HG GLU 67 -5.667 -24.147 32.471 530 HG3 GLU 67 1HG GLU 67 -4.720 -22.691 32.752 531 H VAL 68 H VAL 68 -1.593 -22.659 30.871 532 HA VAL 68 HA VAL 68 -0.758 -23.266 28.105 533 HB VAL 68 HB VAL 68 0.930 -22.688 30.553 534 HG11 VAL 68 1HG1 VAL 68 2.846 -22.672 28.986 535 HG12 VAL 68 2HG1 VAL 68 1.777 -23.242 27.703 536 HG13 VAL 68 3HG1 VAL 68 2.088 -24.259 29.110 537 HG21 VAL 68 3HG2 VAL 68 1.540 -20.622 29.360 538 HG22 VAL 68 1HG2 VAL 68 -0.189 -20.702 29.697 539 HG23 VAL 68 2HG2 VAL 68 0.409 -21.040 28.072 540 H ARG 69 H ARG 69 -0.784 -25.374 27.584 541 HA ARG 69 HA ARG 69 0.343 -27.306 29.500 542 HE ARG 69 HE ARG 69 -4.475 -27.232 31.661 543 HB2 ARG 69 2HB ARG 69 -2.219 -27.723 27.934 544 HB3 ARG 69 1HB ARG 69 -1.364 -28.999 28.791 545 HG2 ARG 69 2HG ARG 69 -1.672 -27.695 30.899 546 HG3 ARG 69 1HG ARG 69 -2.683 -26.568 29.992 547 HD2 ARG 69 2HD ARG 69 -4.219 -28.397 29.436 548 HD3 ARG 69 1HD ARG 69 -3.199 -29.529 30.327 549 HH11 ARG 69 1HH1 ARG 69 -3.861 -30.624 31.459 550 HH12 ARG 69 2HH1 ARG 69 -4.655 -30.962 32.956 551 HH21 ARG 69 1HH2 ARG 69 -5.476 -27.684 33.588 552 HH22 ARG 69 2HH2 ARG 69 -5.552 -29.318 34.152 553 H SER 70 H SER 70 0.457 -29.586 28.138 554 HA SER 70 HA SER 70 2.358 -28.939 26.040 555 HG SER 70 HG SER 70 1.302 -32.269 27.898 556 HB2 SER 70 2HB SER 70 2.991 -31.255 26.080 557 HB3 SER 70 1HB SER 70 2.748 -30.761 27.754 558 H ALA 71 H ALA 71 2.341 -30.126 23.964 559 HA ALA 71 HA ALA 71 -0.396 -30.563 22.933 560 HB1 ALA 71 3HB ALA 71 0.550 -28.476 22.080 561 HB2 ALA 71 1HB ALA 71 0.355 -29.658 20.787 562 HB3 ALA 71 2HB ALA 71 1.954 -29.351 21.467 563 H ASP 72 H ASP 72 2.965 -31.144 21.890 564 HA ASP 72 HA ASP 72 2.245 -33.936 21.249 565 HB2 ASP 72 2HB ASP 72 4.415 -32.177 20.065 566 HB3 ASP 72 1HB ASP 72 4.117 -33.857 19.624 567 H TYR 73 H TYR 73 5.010 -34.744 20.922 568 HA TYR 73 HA TYR 73 5.558 -35.702 23.486 569 HD1 TYR 73 HD1 TYR 73 6.049 -38.261 23.078 570 HD2 TYR 73 HD2 TYR 73 6.296 -36.334 19.290 571 HE1 TYR 73 HE1 TYR 73 4.855 -40.144 22.051 572 HE2 TYR 73 HE2 TYR 73 5.101 -38.215 18.252 573 HH TYR 73 HH TYR 73 4.675 -40.602 18.696 574 HB2 TYR 73 2HB TYR 73 7.443 -35.417 21.131 575 HB3 TYR 73 1HB TYR 73 7.748 -36.409 22.554 576 H GLY 74 H GLY 74 7.217 -33.060 21.730 577 HA2 GLY 74 2HA GLY 74 8.152 -32.054 24.359 578 HA3 GLY 74 1HA GLY 74 9.204 -32.087 22.953 579 H THR 75 H THR 75 5.789 -31.174 22.905 580 HA THR 75 HA THR 75 6.585 -28.368 22.414 581 HB THR 75 HB THR 75 4.835 -28.124 20.733 582 HG1 THR 75 HG1 THR 75 3.786 -30.123 19.992 583 HG21 THR 75 3HG2 THR 75 7.046 -28.826 19.938 584 HG22 THR 75 1HG2 THR 75 5.764 -29.513 18.939 585 HG23 THR 75 2HG2 THR 75 6.585 -30.518 20.134 586 H GLN 76 H GLN 76 4.932 -26.780 22.857 587 HA GLN 76 HA GLN 76 2.896 -27.653 24.817 588 HB2 GLN 76 2HB GLN 76 4.586 -25.143 24.770 589 HB3 GLN 76 1HB GLN 76 3.168 -25.323 25.794 590 HG2 GLN 76 2HG GLN 76 4.182 -27.063 27.048 591 HG3 GLN 76 1HG GLN 76 5.510 -27.211 25.898 592 HE21 GLN 76 1HE2 GLN 76 4.117 -25.204 28.403 593 HE22 GLN 76 2HE2 GLN 76 5.541 -24.290 28.732 594 H CYS 77 H CYS 77 1.190 -25.733 25.069 595 HA CYS 77 HA CYS 77 0.589 -24.301 22.637 596 HG CYS 77 HG CYS 77 -2.950 -24.603 22.761 597 HB2 CYS 77 2HB CYS 77 -0.210 -26.503 21.971 598 HB3 CYS 77 1HB CYS 77 -1.159 -26.640 23.446 599 H PHE 78 H PHE 78 -0.917 -22.676 22.918 600 HA PHE 78 HA PHE 78 -1.770 -22.071 25.620 601 HD1 PHE 78 HD2 PHE 78 -0.981 -19.580 26.343 602 HD2 PHE 78 HD1 PHE 78 -0.081 -20.129 22.214 603 HE1 PHE 78 HE2 PHE 78 1.180 -18.449 26.667 604 HE2 PHE 78 HE1 PHE 78 2.078 -18.994 22.532 605 HZ PHE 78 HZ PHE 78 2.711 -18.153 24.758 606 HB2 PHE 78 2HB PHE 78 -2.225 -20.616 23.000 607 HB3 PHE 78 1HB PHE 78 -2.763 -20.022 24.566 608 H TRP 79 H TRP 79 -3.818 -22.250 26.439 609 HA TRP 79 HA TRP 79 -5.841 -23.476 24.693 610 HD1 TRP 79 HD1 TRP 79 -3.186 -24.978 26.993 611 HE1 TRP 79 HE1 TRP 79 -2.942 -27.447 26.307 612 HE3 TRP 79 HE3 TRP 79 -8.058 -25.992 25.808 613 HZ2 TRP 79 HZ2 TRP 79 -4.583 -29.549 25.400 614 HZ3 TRP 79 HZ3 TRP 79 -8.639 -28.260 25.044 615 HH2 TRP 79 HH2 TRP 79 -6.933 -30.002 24.843 616 HB2 TRP 79 2HB TRP 79 -5.454 -23.550 27.683 617 HB3 TRP 79 1HB TRP 79 -6.950 -24.079 26.916 618 H ILE 80 H ILE 80 -7.498 -22.345 24.041 619 HA ILE 80 HA ILE 80 -7.924 -19.637 24.932 620 HB ILE 80 HB ILE 80 -9.513 -21.249 22.920 621 HG12 ILE 80 2HG1 ILE 80 -7.162 -19.387 22.454 622 HG13 ILE 80 1HG1 ILE 80 -7.116 -21.141 22.316 623 HG21 ILE 80 1HG2 ILE 80 -10.696 -19.271 23.695 624 HG22 ILE 80 2HG2 ILE 80 -10.170 -19.056 22.026 625 HG23 ILE 80 3HG2 ILE 80 -9.292 -18.264 23.336 626 HD11 ILE 80 3HD1 ILE 80 -8.722 -21.034 20.473 627 HD12 ILE 80 1HD1 ILE 80 -7.263 -20.101 20.136 628 HD13 ILE 80 2HD1 ILE 80 -8.747 -19.274 20.609 629 H LEU 81 H LEU 81 -8.750 -19.783 27.064 630 HA LEU 81 HA LEU 81 -11.195 -21.247 27.575 631 HG LEU 81 HG LEU 81 -9.332 -21.261 30.793 632 HB2 LEU 81 2HB LEU 81 -9.496 -19.399 29.234 633 HB3 LEU 81 1HB LEU 81 -11.085 -19.890 29.784 634 HD11 LEU 81 1HD1 LEU 81 -10.245 -23.463 30.270 635 HD12 LEU 81 2HD1 LEU 81 -11.019 -22.807 28.827 636 HD13 LEU 81 3HD1 LEU 81 -11.525 -22.261 30.427 637 HD21 LEU 81 3HD2 LEU 81 -7.651 -21.148 29.037 638 HD22 LEU 81 1HD2 LEU 81 -8.676 -22.112 27.971 639 HD23 LEU 81 2HD2 LEU 81 -8.014 -22.825 29.442 640 H ARG 82 H ARG 82 -13.124 -20.567 26.990 641 HA ARG 82 HA ARG 82 -13.606 -17.769 26.326 642 HE ARG 82 HE ARG 82 -12.039 -18.741 24.891 643 HB2 ARG 82 2HB ARG 82 -15.484 -20.144 26.212 644 HB3 ARG 82 1HB ARG 82 -15.806 -18.547 25.551 645 HG2 ARG 82 2HG ARG 82 -13.651 -20.450 24.622 646 HG3 ARG 82 1HG ARG 82 -15.175 -20.118 23.798 647 HD2 ARG 82 2HD ARG 82 -13.507 -18.838 22.688 648 HD3 ARG 82 1HD ARG 82 -14.445 -17.703 23.658 649 HH11 ARG 82 1HH1 ARG 82 -13.509 -16.180 23.143 650 HH12 ARG 82 2HH1 ARG 82 -12.259 -15.054 23.522 651 HH21 ARG 82 1HH2 ARG 82 -10.445 -17.298 25.396 652 HH22 ARG 82 2HH2 ARG 82 -10.527 -15.686 24.790 653 H THR 83 H THR 83 -15.424 -16.547 27.206 654 HA THR 83 HA THR 83 -15.672 -16.685 30.026 655 HB THR 83 HB THR 83 -17.475 -15.001 29.802 656 HG1 THR 83 HG1 THR 83 -18.409 -14.619 27.916 657 HG21 THR 83 3HG2 THR 83 -15.138 -14.261 29.784 658 HG22 THR 83 1HG2 THR 83 -16.129 -13.240 28.740 659 HG23 THR 83 2HG2 THR 83 -15.078 -14.468 28.034 660 H ASP 84 H ASP 84 -17.342 -18.351 27.501 661 HA ASP 84 HA ASP 84 -19.654 -19.179 28.884 662 HB2 ASP 84 2HB ASP 84 -17.995 -20.808 26.936 663 HB3 ASP 84 1HB ASP 84 -19.678 -21.099 27.367 664 H GLY 85 H GLY 85 -16.311 -20.167 29.097 665 HA2 GLY 85 2HA GLY 85 -15.518 -21.316 31.109 666 HA3 GLY 85 1HA GLY 85 -16.996 -22.266 31.070 667 H SER 86 H SER 86 -16.765 -22.477 28.084 668 HA SER 86 HA SER 86 -15.359 -24.933 27.910 669 HG SER 86 HG SER 86 -17.646 -24.896 27.277 670 HB2 SER 86 2HB SER 86 -16.224 -23.130 25.627 671 HB3 SER 86 1HB SER 86 -15.865 -24.853 25.526 672 H GLU 87 H GLU 87 -13.508 -25.437 26.549 673 HA GLU 87 HA GLU 87 -11.622 -23.185 26.263 674 HB2 GLU 87 2HB GLU 87 -9.869 -25.143 26.534 675 HB3 GLU 87 1HB GLU 87 -10.566 -24.336 27.925 676 HG2 GLU 87 2HG GLU 87 -10.454 -26.763 28.210 677 HG3 GLU 87 1HG GLU 87 -12.106 -26.159 28.280 678 H GLU 88 H GLU 88 -9.621 -24.105 24.865 679 HA GLU 88 HA GLU 88 -10.220 -25.704 22.593 680 HB2 GLU 88 2HB GLU 88 -11.419 -23.234 22.434 681 HB3 GLU 88 1HB GLU 88 -9.875 -22.898 21.670 682 HG2 GLU 88 2HG GLU 88 -11.696 -25.143 20.819 683 HG3 GLU 88 1HG GLU 88 -11.763 -23.524 20.134 684 H ARG 89 H ARG 89 -8.341 -25.531 20.950 685 HA ARG 89 HA ARG 89 -5.979 -24.184 22.068 686 HE ARG 89 HE ARG 89 -3.308 -27.865 21.856 687 HB2 ARG 89 2HB ARG 89 -4.556 -26.127 21.722 688 HB3 ARG 89 1HB ARG 89 -5.864 -26.522 22.828 689 HG2 ARG 89 2HG ARG 89 -7.035 -27.732 21.103 690 HG3 ARG 89 1HG ARG 89 -5.863 -27.214 19.890 691 HD2 ARG 89 2HD ARG 89 -5.349 -29.027 22.251 692 HD3 ARG 89 1HD ARG 89 -5.382 -29.493 20.548 693 HH11 ARG 89 1HH1 ARG 89 -4.361 -29.756 19.169 694 HH12 ARG 89 2HH1 ARG 89 -2.782 -29.819 18.472 695 HH21 ARG 89 1HH2 ARG 89 -1.308 -27.950 20.932 696 HH22 ARG 89 2HH2 ARG 89 -1.075 -28.810 19.452 697 H PHE 90 H PHE 90 -4.668 -23.234 20.573 698 HA PHE 90 HA PHE 90 -5.231 -23.809 17.730 699 HD1 PHE 90 HD1 PHE 90 -5.342 -21.400 20.920 700 HD2 PHE 90 HD2 PHE 90 -3.536 -19.727 17.442 701 HE1 PHE 90 HE1 PHE 90 -4.229 -19.708 22.313 702 HE2 PHE 90 HE2 PHE 90 -2.421 -18.033 18.833 703 HZ PHE 90 HZ PHE 90 -2.765 -18.024 21.272 704 HB2 PHE 90 2HB PHE 90 -5.044 -21.454 17.190 705 HB3 PHE 90 1HB PHE 90 -6.267 -21.672 18.433 706 H SER 91 H SER 91 -3.496 -24.741 16.851 707 HA SER 91 HA SER 91 -0.822 -24.353 17.782 708 HG SER 91 HG SER 91 -1.238 -27.517 16.330 709 HB2 SER 91 2HB SER 91 -1.814 -25.549 15.174 710 HB3 SER 91 1HB SER 91 -0.153 -25.637 15.762 711 H TYR 92 H TYR 92 -0.610 -22.079 17.776 712 HA TYR 92 HA TYR 92 -1.164 -20.312 15.736 713 HD1 TYR 92 HD1 TYR 92 0.114 -21.352 19.466 714 HD2 TYR 92 HD2 TYR 92 2.827 -19.155 17.021 715 HE1 TYR 92 HE1 TYR 92 1.991 -22.146 20.839 716 HE2 TYR 92 HE2 TYR 92 4.708 -19.952 18.388 717 HH TYR 92 HH TYR 92 5.017 -20.780 20.771 718 HB2 TYR 92 2HB TYR 92 0.458 -18.775 16.838 719 HB3 TYR 92 1HB TYR 92 -0.670 -19.532 17.956 720 H LYS 93 H LYS 93 1.606 -22.447 15.922 721 HA LYS 93 HA LYS 93 3.347 -21.085 14.188 722 HB2 LYS 93 2HB LYS 93 4.453 -23.240 13.832 723 HB3 LYS 93 1HB LYS 93 4.085 -22.985 15.532 724 HG2 LYS 93 2HG LYS 93 2.187 -24.494 15.378 725 HG3 LYS 93 1HG LYS 93 2.469 -24.704 13.648 726 HD2 LYS 93 2HD LYS 93 4.407 -25.468 15.845 727 HD3 LYS 93 1HD LYS 93 3.355 -26.588 14.977 728 HE2 LYS 93 2HE LYS 93 4.488 -25.997 12.867 729 HE3 LYS 93 1HE LYS 93 5.550 -24.903 13.751 730 HZ1 LYS 93 3HZ LYS 93 5.374 -27.833 14.206 731 HZ2 LYS 93 1HZ LYS 93 6.450 -26.767 14.959 732 HZ3 LYS 93 2HZ LYS 93 6.576 -27.066 13.300 733 H LYS 94 H LYS 94 0.505 -23.014 13.501 734 HA LYS 94 HA LYS 94 1.013 -22.743 10.612 735 HB2 LYS 94 2HB LYS 94 -1.078 -24.446 11.989 736 HB3 LYS 94 1HB LYS 94 -0.743 -24.407 10.264 737 HG2 LYS 94 2HG LYS 94 1.088 -25.406 12.437 738 HG3 LYS 94 1HG LYS 94 0.235 -26.376 11.238 739 HD2 LYS 94 2HD LYS 94 2.335 -24.303 10.578 740 HD3 LYS 94 1HD LYS 94 2.665 -26.023 10.755 741 HE2 LYS 94 2HE LYS 94 2.461 -25.684 8.440 742 HE3 LYS 94 1HE LYS 94 0.921 -26.386 8.925 743 HZ1 LYS 94 3HZ LYS 94 0.791 -24.465 7.361 744 HZ2 LYS 94 1HZ LYS 94 1.343 -23.466 8.603 745 HZ3 LYS 94 2HZ LYS 94 -0.130 -24.282 8.762 746 H CYS 95 H CYS 95 0.556 -20.469 10.814 747 HA CYS 95 HA CYS 95 -2.130 -19.800 10.104 748 HG CYS 95 HG CYS 95 -2.888 -17.049 10.879 749 HB2 CYS 95 2HB CYS 95 -2.424 -19.900 12.551 750 HB3 CYS 95 1HB CYS 95 -1.097 -18.764 12.765 751 H VAL 96 H VAL 96 0.148 -19.510 8.685 752 HA VAL 96 HA VAL 96 0.825 -16.627 8.859 753 HB VAL 96 HB VAL 96 2.612 -18.828 7.795 754 HG11 VAL 96 1HG1 VAL 96 3.169 -15.911 8.349 755 HG12 VAL 96 2HG1 VAL 96 3.057 -16.678 6.764 756 HG13 VAL 96 3HG1 VAL 96 4.371 -17.106 7.860 757 HG21 VAL 96 3HG2 VAL 96 2.781 -17.400 10.454 758 HG22 VAL 96 1HG2 VAL 96 3.946 -18.567 9.826 759 HG23 VAL 96 2HG2 VAL 96 2.303 -19.080 10.212 760 H LEU 97 H LEU 97 1.346 -19.178 6.453 761 HA LEU 97 HA LEU 97 -0.423 -17.970 4.511 762 HG LEU 97 HG LEU 97 1.993 -16.573 2.014 763 HB2 LEU 97 2HB LEU 97 1.738 -16.665 4.357 764 HB3 LEU 97 1HB LEU 97 2.545 -18.150 3.907 765 HD11 LEU 97 1HD1 LEU 97 2.507 -18.924 1.592 766 HD12 LEU 97 2HD1 LEU 97 1.303 -18.311 0.460 767 HD13 LEU 97 3HD1 LEU 97 0.804 -19.340 1.803 768 HD21 LEU 97 3HD2 LEU 97 -0.289 -16.555 1.158 769 HD22 LEU 97 1HD2 LEU 97 -0.205 -15.856 2.774 770 HD23 LEU 97 2HD2 LEU 97 -0.830 -17.490 2.552 771 H GLU 98 H GLU 98 -1.477 -19.753 3.834 772 HA GLU 98 HA GLU 98 -0.123 -22.130 2.986 773 HB2 GLU 98 2HB GLU 98 -1.255 -23.545 4.833 774 HB3 GLU 98 1HB GLU 98 0.210 -22.663 5.237 775 HG2 GLU 98 2HG GLU 98 -1.443 -20.809 6.038 776 HG3 GLU 98 1HG GLU 98 -2.614 -22.125 6.069 777 H HIS 99 H HIS 99 -1.301 -22.314 1.186 778 HA HIS 99 HA HIS 99 -4.027 -21.701 0.887 779 HD1 HIS 99 HD1 HIS 99 -3.781 -25.096 -1.902 780 HD2 HIS 99 HD2 HIS 99 -5.251 -21.213 -1.935 781 HE1 HIS 99 HE1 HIS 99 -5.843 -25.168 -3.329 782 HE2 HIS 99 HE2 HIS 99 -6.792 -22.849 -3.215 783 HB2 HIS 99 2HB HIS 99 -2.547 -21.762 -1.030 784 HB3 HIS 99 1HB HIS 99 -2.225 -23.476 -0.784 785 H HIS 100 H HIS 100 -5.869 -22.881 0.950 786 HA HIS 100 HA HIS 100 -6.278 -24.947 2.682 787 HD1 HIS 100 HD1 HIS 100 -9.309 -24.950 3.545 788 HD2 HIS 100 HD2 HIS 100 -8.997 -26.874 -0.123 789 HE1 HIS 100 HE1 HIS 100 -10.912 -26.870 3.655 790 HE2 HIS 100 HE2 HIS 100 -10.614 -28.090 1.482 791 HB2 HIS 100 2HB HIS 100 -8.073 -23.580 1.740 792 HB3 HIS 100 1HB HIS 100 -7.846 -24.327 0.165 793 H HIS 101 H HIS 101 -5.155 -26.812 2.684 794 HA HIS 101 HA HIS 101 -5.860 -28.840 0.807 795 HD1 HIS 101 HD1 HIS 101 -2.573 -30.905 0.345 796 HD2 HIS 101 HD2 HIS 101 -5.016 -28.904 -2.357 797 HE1 HIS 101 HE1 HIS 101 -2.883 -32.482 -1.580 798 HE2 HIS 101 HE2 HIS 101 -4.466 -31.308 -3.135 799 HB2 HIS 101 2HB HIS 101 -3.850 -27.456 -0.238 800 HB3 HIS 101 1HB HIS 101 -2.884 -28.408 0.883 801 H HIS 102 H HIS 102 -5.456 -30.934 1.684 802 HA HIS 102 HA HIS 102 -5.502 -30.994 4.473 803 HD1 HIS 102 HD1 HIS 102 -3.510 -34.702 4.182 804 HD2 HIS 102 HD2 HIS 102 -4.968 -33.426 0.505 805 HE1 HIS 102 HE1 HIS 102 -2.238 -36.008 2.468 806 HE2 HIS 102 HE2 HIS 102 -3.248 -35.341 0.264 807 HB2 HIS 102 2HB HIS 102 -5.670 -33.337 4.352 808 HB3 HIS 102 1HB HIS 102 -6.401 -32.757 2.862 809 H HIS 103 H HIS 103 -4.093 -31.512 6.069 810 HA HIS 103 HA HIS 103 -1.364 -30.962 5.870 811 HD1 HIS 103 HD1 HIS 103 -0.138 -30.160 8.671 812 HD2 HIS 103 HD2 HIS 103 -0.937 -34.230 8.867 813 HE1 HIS 103 HE1 HIS 103 1.741 -31.148 10.008 814 HE2 HIS 103 HE2 HIS 103 1.090 -33.555 10.324 815 HB2 HIS 103 2HB HIS 103 -2.555 -30.826 7.972 816 HB3 HIS 103 1HB HIS 103 -2.937 -32.540 7.920 817 H HIS 104 H HIS 104 0.489 -32.221 5.705 818 HA HIS 104 HA HIS 104 0.212 -34.960 4.728 819 HD1 HIS 104 HD1 HIS 104 3.054 -31.966 2.806 820 HD2 HIS 104 HD2 HIS 104 0.619 -35.298 2.333 821 HE1 HIS 104 HE1 HIS 104 2.465 -32.024 0.368 822 HE2 HIS 104 HE2 HIS 104 1.178 -34.165 0.077 823 HB2 HIS 104 2HB HIS 104 2.547 -33.067 4.976 824 HB3 HIS 104 1HB HIS 104 2.801 -34.775 4.647 Start of MODEL 11 1 HA MET 1 HA MET 1 3.956 0.487 -3.176 2 H1 MET 1 1H MET 1 1.926 0.625 -1.895 3 H2 MET 1 2H MET 1 3.033 1.797 -1.398 4 H3 MET 1 3H MET 1 2.784 0.415 -0.454 5 HB2 MET 1 2HB MET 1 5.196 0.015 -0.459 6 HB3 MET 1 1HB MET 1 6.010 -0.362 -1.970 7 HG2 MET 1 2HG MET 1 5.881 2.001 -2.618 8 HG3 MET 1 1HG MET 1 5.095 2.366 -1.080 9 HE1 MET 1 3HE MET 1 7.810 3.738 -2.250 10 HE2 MET 1 1HE MET 1 8.748 3.865 -0.763 11 HE3 MET 1 2HE MET 1 7.026 4.246 -0.755 12 H ALA 2 H ALA 2 4.010 -1.704 -0.344 13 HA ALA 2 HA ALA 2 3.359 -3.939 -2.171 14 HB1 ALA 2 3HB ALA 2 4.835 -5.363 -0.841 15 HB2 ALA 2 1HB ALA 2 5.234 -3.994 0.198 16 HB3 ALA 2 2HB ALA 2 5.715 -3.983 -1.499 17 H LYS 3 H LYS 3 2.541 -5.916 -0.986 18 HA LYS 3 HA LYS 3 0.369 -5.107 0.784 19 HB2 LYS 3 2HB LYS 3 0.999 -7.726 -0.595 20 HB3 LYS 3 1HB LYS 3 -0.340 -7.534 0.526 21 HG2 LYS 3 2HG LYS 3 -1.243 -7.354 -1.652 22 HG3 LYS 3 1HG LYS 3 -1.224 -5.725 -0.981 23 HD2 LYS 3 2HD LYS 3 -0.500 -5.662 -3.290 24 HD3 LYS 3 1HD LYS 3 0.858 -5.263 -2.239 25 HE2 LYS 3 2HE LYS 3 1.719 -7.538 -2.467 26 HE3 LYS 3 1HE LYS 3 0.341 -7.970 -3.478 27 HZ1 LYS 3 3HZ LYS 3 2.322 -7.470 -4.780 28 HZ2 LYS 3 1HZ LYS 3 2.366 -5.903 -4.148 29 HZ3 LYS 3 2HZ LYS 3 1.073 -6.386 -5.122 30 H ALA 4 H ALA 4 3.497 -6.018 1.283 31 HA ALA 4 HA ALA 4 3.043 -7.797 3.534 32 HB1 ALA 4 3HB ALA 4 4.923 -8.210 2.022 33 HB2 ALA 4 1HB ALA 4 5.468 -7.937 3.678 34 HB3 ALA 4 2HB ALA 4 5.627 -6.658 2.473 35 H GLN 5 H GLN 5 2.059 -6.612 5.152 36 HA GLN 5 HA GLN 5 3.642 -4.422 6.335 37 HB2 GLN 5 2HB GLN 5 0.715 -5.129 6.613 38 HB3 GLN 5 1HB GLN 5 1.520 -3.963 7.656 39 HG2 GLN 5 2HG GLN 5 2.079 -2.605 5.675 40 HG3 GLN 5 1HG GLN 5 1.212 -3.758 4.662 41 HE21 GLN 5 1HE2 GLN 5 0.739 -0.881 5.196 42 HE22 GLN 5 2HE2 GLN 5 -0.899 -0.792 5.738 43 HA PRO 6 HA PRO 6 5.048 -6.974 9.663 44 HB2 PRO 6 2HB PRO 6 4.384 -4.634 11.400 45 HB3 PRO 6 1HB PRO 6 5.894 -5.544 11.263 46 HG2 PRO 6 2HG PRO 6 5.675 -3.139 10.152 47 HG3 PRO 6 1HG PRO 6 6.530 -4.444 9.308 48 HD2 PRO 6 2HD PRO 6 3.788 -3.344 8.818 49 HD3 PRO 6 1HD PRO 6 5.006 -3.903 7.651 50 H ILE 7 H ILE 7 4.206 -8.371 11.167 51 HA ILE 7 HA ILE 7 1.392 -8.516 11.563 52 HB ILE 7 HB ILE 7 3.647 -10.018 12.926 53 HG12 ILE 7 2HG1 ILE 7 2.742 -11.939 11.544 54 HG13 ILE 7 1HG1 ILE 7 1.728 -10.778 10.700 55 HG21 ILE 7 1HG2 ILE 7 0.672 -10.516 13.131 56 HG22 ILE 7 2HG2 ILE 7 1.732 -9.955 14.425 57 HG23 ILE 7 3HG2 ILE 7 1.936 -11.575 13.760 58 HD11 ILE 7 3HD1 ILE 7 3.725 -11.338 9.428 59 HD12 ILE 7 1HD1 ILE 7 4.741 -10.775 10.755 60 HD13 ILE 7 2HD1 ILE 7 3.719 -9.633 9.879 61 H GLU 8 H GLU 8 0.602 -6.703 12.585 62 HA GLU 8 HA GLU 8 1.837 -5.747 15.040 63 HB2 GLU 8 2HB GLU 8 0.993 -4.221 13.206 64 HB3 GLU 8 1HB GLU 8 -0.640 -4.682 13.657 65 HG2 GLU 8 2HG GLU 8 1.245 -3.504 15.676 66 HG3 GLU 8 1HG GLU 8 0.351 -2.476 14.564 67 H ILE 9 H ILE 9 1.336 -6.697 16.902 68 HA ILE 9 HA ILE 9 -1.485 -7.359 17.463 69 HB ILE 9 HB ILE 9 0.894 -9.039 18.303 70 HG12 ILE 9 2HG1 ILE 9 -1.338 -9.667 16.343 71 HG13 ILE 9 1HG1 ILE 9 0.333 -9.322 15.912 72 HG21 ILE 9 1HG2 ILE 9 -0.841 -9.010 20.008 73 HG22 ILE 9 2HG2 ILE 9 -0.782 -10.586 19.222 74 HG23 ILE 9 3HG2 ILE 9 -2.058 -9.442 18.807 75 HD11 ILE 9 3HD1 ILE 9 -0.130 -11.698 15.830 76 HD12 ILE 9 1HD1 ILE 9 -0.627 -11.677 17.521 77 HD13 ILE 9 2HD1 ILE 9 1.049 -11.336 17.090 78 H ALA 10 H ALA 10 -2.169 -6.105 19.087 79 HA ALA 10 HA ALA 10 -2.292 -4.940 21.033 80 HB1 ALA 10 3HB ALA 10 -1.164 -5.854 22.979 81 HB2 ALA 10 1HB ALA 10 -0.087 -6.793 21.942 82 HB3 ALA 10 2HB ALA 10 -1.813 -7.156 21.980 83 H GLY 11 H GLY 11 -0.398 -4.006 18.943 84 HA2 GLY 11 2HA GLY 11 0.721 -1.915 18.918 85 HA3 GLY 11 1HA GLY 11 1.110 -2.118 20.618 86 H HIS 12 H HIS 12 1.812 -5.030 19.328 87 HA HIS 12 HA HIS 12 4.655 -4.338 19.013 88 HD1 HIS 12 HD1 HIS 12 6.170 -6.117 21.573 89 HD2 HIS 12 HD2 HIS 12 2.021 -5.857 21.745 90 HE1 HIS 12 HE1 HIS 12 5.617 -5.725 23.990 91 HE2 HIS 12 HE2 HIS 12 3.122 -5.414 24.044 92 HB2 HIS 12 2HB HIS 12 3.348 -7.039 19.444 93 HB3 HIS 12 1HB HIS 12 5.080 -6.733 19.402 94 H GLU 13 H GLU 13 5.220 -3.963 16.940 95 HA GLU 13 HA GLU 13 3.880 -5.382 14.766 96 HB2 GLU 13 2HB GLU 13 5.932 -3.156 14.694 97 HB3 GLU 13 1HB GLU 13 5.123 -3.834 13.287 98 HG2 GLU 13 2HG GLU 13 2.954 -3.096 14.221 99 HG3 GLU 13 1HG GLU 13 3.819 -2.341 15.561 100 H PHE 14 H PHE 14 4.657 -7.354 14.330 101 HA PHE 14 HA PHE 14 7.557 -7.845 14.425 102 HD1 PHE 14 HD1 PHE 14 7.962 -9.570 16.618 103 HD2 PHE 14 HD2 PHE 14 3.787 -9.444 15.782 104 HE1 PHE 14 HE1 PHE 14 7.483 -9.592 19.029 105 HE2 PHE 14 HE2 PHE 14 3.304 -9.467 18.194 106 HZ PHE 14 HZ PHE 14 5.154 -9.541 19.821 107 HB2 PHE 14 2HB PHE 14 5.319 -9.849 14.035 108 HB3 PHE 14 1HB PHE 14 7.010 -10.205 14.372 109 H ALA 15 H ALA 15 8.461 -7.177 12.504 110 HA ALA 15 HA ALA 15 7.261 -7.396 9.953 111 HB1 ALA 15 3HB ALA 15 9.479 -6.911 9.059 112 HB2 ALA 15 1HB ALA 15 10.202 -7.250 10.631 113 HB3 ALA 15 2HB ALA 15 9.121 -5.869 10.437 114 H ARG 16 H ARG 16 9.044 -9.667 11.894 115 HA ARG 16 HA ARG 16 8.982 -11.647 9.701 116 HE ARG 16 HE ARG 16 13.379 -12.795 9.835 117 HB2 ARG 16 2HB ARG 16 11.204 -11.132 10.773 118 HB3 ARG 16 1HB ARG 16 10.566 -11.767 12.281 119 HG2 ARG 16 2HG ARG 16 11.754 -13.556 11.436 120 HG3 ARG 16 1HG ARG 16 10.103 -13.919 10.930 121 HD2 ARG 16 2HD ARG 16 11.509 -14.342 9.055 122 HD3 ARG 16 1HD ARG 16 10.661 -12.832 8.717 123 HH11 ARG 16 1HH1 ARG 16 11.182 -11.931 7.316 124 HH12 ARG 16 2HH1 ARG 16 12.359 -10.965 6.492 125 HH21 ARG 16 1HH2 ARG 16 14.847 -11.535 8.784 126 HH22 ARG 16 2HH2 ARG 16 14.391 -10.724 7.325 127 H LYS 17 H LYS 17 7.568 -13.333 9.860 128 HA LYS 17 HA LYS 17 5.690 -13.668 11.893 129 HB2 LYS 17 2HB LYS 17 5.317 -14.713 9.767 130 HB3 LYS 17 1HB LYS 17 6.800 -15.646 9.892 131 HG2 LYS 17 2HG LYS 17 4.880 -17.070 10.260 132 HG3 LYS 17 1HG LYS 17 5.832 -16.941 11.739 133 HD2 LYS 17 2HD LYS 17 4.233 -15.237 12.579 134 HD3 LYS 17 1HD LYS 17 3.258 -15.468 11.125 135 HE2 LYS 17 2HE LYS 17 2.935 -17.832 11.725 136 HE3 LYS 17 1HE LYS 17 3.907 -17.595 13.176 137 HZ1 LYS 17 3HZ LYS 17 2.244 -15.988 13.944 138 HZ2 LYS 17 1HZ LYS 17 1.575 -17.522 13.705 139 HZ3 LYS 17 2HZ LYS 17 1.303 -16.297 12.574 140 H ALA 18 H ALA 18 8.860 -15.219 11.513 141 HA ALA 18 HA ALA 18 8.729 -16.935 13.746 142 HB1 ALA 18 3HB ALA 18 11.151 -17.114 13.523 143 HB2 ALA 18 1HB ALA 18 11.172 -15.700 12.467 144 HB3 ALA 18 2HB ALA 18 10.373 -17.181 11.942 145 H ASP 19 H ASP 19 9.515 -13.531 13.469 146 HA ASP 19 HA ASP 19 10.670 -13.149 16.030 147 HB2 ASP 19 2HB ASP 19 10.868 -11.536 14.161 148 HB3 ASP 19 1HB ASP 19 9.147 -11.199 14.273 149 H ALA 20 H ALA 20 7.338 -12.870 14.816 150 HA ALA 20 HA ALA 20 6.045 -12.218 17.217 151 HB1 ALA 20 3HB ALA 20 4.991 -13.915 14.948 152 HB2 ALA 20 1HB ALA 20 4.934 -12.153 15.032 153 HB3 ALA 20 2HB ALA 20 4.018 -13.121 16.187 154 H LEU 21 H LEU 21 6.709 -15.416 15.801 155 HA LEU 21 HA LEU 21 5.611 -16.991 17.850 156 HG LEU 21 HG LEU 21 6.010 -17.099 14.665 157 HB2 LEU 21 2HB LEU 21 7.950 -17.653 16.051 158 HB3 LEU 21 1HB LEU 21 6.993 -18.810 16.957 159 HD11 LEU 21 1HD1 LEU 21 7.443 -18.903 13.914 160 HD12 LEU 21 2HD1 LEU 21 5.765 -19.242 13.488 161 HD13 LEU 21 3HD1 LEU 21 6.513 -20.068 14.857 162 HD21 LEU 21 3HD2 LEU 21 4.237 -17.401 16.285 163 HD22 LEU 21 1HD2 LEU 21 4.549 -19.136 16.349 164 HD23 LEU 21 2HD2 LEU 21 3.926 -18.406 14.868 165 H ALA 22 H ALA 22 8.828 -15.584 17.480 166 HA ALA 22 HA ALA 22 10.123 -16.800 19.640 167 HB1 ALA 22 3HB ALA 22 11.286 -15.471 17.936 168 HB2 ALA 22 1HB ALA 22 11.675 -14.914 19.564 169 HB3 ALA 22 2HB ALA 22 10.540 -14.005 18.567 170 H PHE 23 H PHE 23 8.653 -13.521 19.599 171 HA PHE 23 HA PHE 23 8.837 -12.958 22.301 172 HD1 PHE 23 HD1 PHE 23 8.557 -10.302 22.969 173 HD2 PHE 23 HD2 PHE 23 4.738 -11.714 21.709 174 HE1 PHE 23 HE1 PHE 23 7.484 -8.994 24.753 175 HE2 PHE 23 HE2 PHE 23 3.665 -10.406 23.495 176 HZ PHE 23 HZ PHE 23 5.038 -9.044 25.018 177 HB2 PHE 23 2HB PHE 23 8.149 -11.283 20.665 178 HB3 PHE 23 1HB PHE 23 6.641 -12.147 20.375 179 H MET 24 H MET 24 6.154 -14.591 20.626 180 HA MET 24 HA MET 24 4.463 -14.988 22.816 181 HB2 MET 24 2HB MET 24 4.869 -16.740 20.377 182 HB3 MET 24 1HB MET 24 3.535 -16.905 21.510 183 HG2 MET 24 2HG MET 24 2.738 -14.684 20.933 184 HG3 MET 24 1HG MET 24 4.105 -14.459 19.843 185 HE1 MET 24 3HE MET 24 1.052 -14.797 17.392 186 HE2 MET 24 1HE MET 24 2.426 -13.799 17.870 187 HE3 MET 24 2HE MET 24 1.066 -14.015 18.972 188 H LYS 25 H LYS 25 7.182 -16.988 21.670 189 HA LYS 25 HA LYS 25 6.657 -18.990 23.685 190 HB2 LYS 25 2HB LYS 25 7.491 -19.642 21.465 191 HB3 LYS 25 1HB LYS 25 8.997 -18.786 21.782 192 HG2 LYS 25 2HG LYS 25 9.642 -20.310 23.449 193 HG3 LYS 25 1HG LYS 25 8.017 -20.980 23.585 194 HD2 LYS 25 2HD LYS 25 8.235 -21.935 21.329 195 HD3 LYS 25 1HD LYS 25 9.873 -21.282 21.218 196 HE2 LYS 25 2HE LYS 25 9.788 -23.692 21.855 197 HE3 LYS 25 1HE LYS 25 10.619 -22.671 23.027 198 HZ1 LYS 25 3HZ LYS 25 8.631 -22.663 24.393 199 HZ2 LYS 25 1HZ LYS 25 9.142 -24.248 24.106 200 HZ3 LYS 25 2HZ LYS 25 7.817 -23.623 23.266 201 H VAL 26 H VAL 26 8.681 -16.153 23.490 202 HA VAL 26 HA VAL 26 10.586 -16.797 25.460 203 HB VAL 26 HB VAL 26 9.349 -14.102 24.819 204 HG11 VAL 26 1HG1 VAL 26 10.273 -14.057 27.073 205 HG12 VAL 26 2HG1 VAL 26 11.291 -13.121 25.979 206 HG13 VAL 26 3HG1 VAL 26 11.792 -14.735 26.489 207 HG21 VAL 26 3HG2 VAL 26 11.996 -15.317 23.995 208 HG22 VAL 26 1HG2 VAL 26 11.416 -13.704 23.573 209 HG23 VAL 26 2HG2 VAL 26 10.582 -15.131 22.959 210 H MET 27 H MET 27 7.372 -15.264 25.811 211 HA MET 27 HA MET 27 7.436 -15.363 28.673 212 HB2 MET 27 2HB MET 27 5.045 -14.757 28.554 213 HB3 MET 27 1HB MET 27 6.059 -13.698 27.589 214 HG2 MET 27 2HG MET 27 5.379 -14.880 25.565 215 HG3 MET 27 1HG MET 27 4.372 -15.960 26.533 216 HE1 MET 27 3HE MET 27 2.305 -15.362 24.955 217 HE2 MET 27 1HE MET 27 3.284 -14.230 24.020 218 HE3 MET 27 2HE MET 27 1.732 -13.718 24.678 219 H LEU 28 H LEU 28 6.150 -17.474 26.161 220 HA LEU 28 HA LEU 28 4.677 -19.267 27.704 221 HG LEU 28 HG LEU 28 5.591 -21.943 26.277 222 HB2 LEU 28 2HB LEU 28 4.723 -19.232 25.245 223 HB3 LEU 28 1HB LEU 28 6.372 -19.823 25.264 224 HD11 LEU 28 1HD1 LEU 28 3.190 -22.445 26.325 225 HD12 LEU 28 2HD1 LEU 28 2.831 -20.778 25.874 226 HD13 LEU 28 3HD1 LEU 28 3.602 -21.128 27.421 227 HD21 LEU 28 3HD2 LEU 28 4.212 -21.163 23.701 228 HD22 LEU 28 1HD2 LEU 28 4.482 -22.814 24.262 229 HD23 LEU 28 2HD2 LEU 28 5.855 -21.784 23.863 230 H ASN 29 H ASN 29 8.145 -19.325 26.923 231 HA ASN 29 HA ASN 29 8.717 -21.658 28.477 232 HB2 ASN 29 2HB ASN 29 10.470 -19.551 27.200 233 HB3 ASN 29 1HB ASN 29 11.131 -20.898 28.120 234 HD21 ASN 29 1HD2 ASN 29 12.180 -21.683 26.276 235 HD22 ASN 29 2HD2 ASN 29 11.322 -22.503 25.024 236 H ARG 30 H ARG 30 8.215 -18.388 29.294 237 HA ARG 30 HA ARG 30 9.774 -18.395 31.727 238 HE ARG 30 HE ARG 30 9.397 -15.787 35.124 239 HB2 ARG 30 2HB ARG 30 9.295 -16.286 30.549 240 HB3 ARG 30 1HB ARG 30 7.571 -16.528 30.794 241 HG2 ARG 30 2HG ARG 30 8.349 -14.922 32.391 242 HG3 ARG 30 1HG ARG 30 7.952 -16.410 33.250 243 HD2 ARG 30 2HD ARG 30 10.392 -17.009 33.150 244 HD3 ARG 30 1HD ARG 30 10.697 -15.393 32.511 245 HH11 ARG 30 1HH1 ARG 30 11.873 -14.349 33.211 246 HH12 ARG 30 2HH1 ARG 30 12.519 -13.451 34.539 247 HH21 ARG 30 1HH2 ARG 30 10.220 -14.606 36.805 248 HH22 ARG 30 2HH2 ARG 30 11.605 -13.603 36.551 249 H TYR 31 H TYR 31 6.440 -19.068 30.801 250 HA TYR 31 HA TYR 31 5.586 -19.491 33.545 251 HD1 TYR 31 HD1 TYR 31 3.344 -18.121 34.027 252 HD2 TYR 31 HD2 TYR 31 4.034 -17.952 29.831 253 HE1 TYR 31 HE1 TYR 31 2.642 -15.765 34.010 254 HE2 TYR 31 HE2 TYR 31 3.340 -15.596 29.803 255 HH TYR 31 HH TYR 31 2.139 -14.013 31.053 256 HB2 TYR 31 2HB TYR 31 4.169 -20.019 30.920 257 HB3 TYR 31 1HB TYR 31 3.439 -20.223 32.507 258 H ARG 32 H ARG 32 4.270 -21.651 33.867 259 HA ARG 32 HA ARG 32 5.956 -23.909 32.974 260 HE ARG 32 HE ARG 32 5.148 -22.337 37.493 261 HB2 ARG 32 2HB ARG 32 4.563 -23.571 35.640 262 HB3 ARG 32 1HB ARG 32 5.499 -24.977 35.148 263 HG2 ARG 32 2HG ARG 32 7.525 -23.650 35.077 264 HG3 ARG 32 1HG ARG 32 6.611 -22.187 35.456 265 HD2 ARG 32 2HD ARG 32 6.942 -24.612 37.228 266 HD3 ARG 32 1HD ARG 32 7.702 -23.035 37.458 267 HH11 ARG 32 1HH1 ARG 32 6.658 -25.029 39.017 268 HH12 ARG 32 2HH1 ARG 32 5.537 -25.049 40.330 269 HH21 ARG 32 1HH2 ARG 32 3.725 -22.371 39.155 270 HH22 ARG 32 2HH2 ARG 32 3.889 -23.549 40.414 271 HA PRO 33 HA PRO 33 2.333 -25.966 31.430 272 HB2 PRO 33 2HB PRO 33 3.278 -28.486 32.656 273 HB3 PRO 33 1HB PRO 33 2.991 -28.098 30.957 274 HG2 PRO 33 2HG PRO 33 5.463 -28.350 31.955 275 HG3 PRO 33 1HG PRO 33 5.096 -27.193 30.669 276 HD2 PRO 33 2HD PRO 33 5.523 -26.729 33.597 277 HD3 PRO 33 1HD PRO 33 6.029 -25.738 32.210 278 H GLY 34 H GLY 34 1.194 -24.739 33.114 279 HA2 GLY 34 2HA GLY 34 -0.917 -25.917 34.246 280 HA3 GLY 34 1HA GLY 34 0.302 -26.216 35.476 281 H ASP 35 H ASP 35 1.357 -23.426 34.353 282 HA ASP 35 HA ASP 35 0.002 -21.896 36.431 283 HB2 ASP 35 2HB ASP 35 2.488 -21.396 34.794 284 HB3 ASP 35 1HB ASP 35 1.806 -20.182 35.872 285 H ILE 36 H ILE 36 -0.862 -19.810 36.108 286 HA ILE 36 HA ILE 36 -2.256 -19.498 33.574 287 HB ILE 36 HB ILE 36 -2.488 -17.927 36.154 288 HG12 ILE 36 2HG1 ILE 36 -3.172 -20.280 36.398 289 HG13 ILE 36 1HG1 ILE 36 -4.559 -19.202 36.515 290 HG21 ILE 36 1HG2 ILE 36 -3.209 -16.585 34.254 291 HG22 ILE 36 2HG2 ILE 36 -4.597 -17.063 35.230 292 HG23 ILE 36 3HG2 ILE 36 -4.263 -17.890 33.708 293 HD11 ILE 36 3HD1 ILE 36 -5.089 -21.178 35.218 294 HD12 ILE 36 1HD1 ILE 36 -3.775 -20.821 34.098 295 HD13 ILE 36 2HD1 ILE 36 -5.162 -19.736 34.206 296 H VAL 37 H VAL 37 -2.096 -17.730 32.206 297 HA VAL 37 HA VAL 37 0.366 -16.222 32.251 298 HB VAL 37 HB VAL 37 -1.990 -16.008 30.351 299 HG11 VAL 37 1HG1 VAL 37 -0.398 -14.937 28.814 300 HG12 VAL 37 2HG1 VAL 37 0.845 -14.996 30.064 301 HG13 VAL 37 3HG1 VAL 37 -0.595 -14.005 30.298 302 HG21 VAL 37 3HG2 VAL 37 0.576 -17.586 30.105 303 HG22 VAL 37 1HG2 VAL 37 -0.630 -17.394 28.833 304 HG23 VAL 37 2HG2 VAL 37 -1.046 -18.248 30.319 305 H SER 38 H SER 38 0.597 -13.981 32.520 306 HA SER 38 HA SER 38 -1.151 -12.673 34.322 307 HG SER 38 HG SER 38 1.921 -11.500 32.112 308 HB2 SER 38 2HB SER 38 0.288 -10.761 34.105 309 HB3 SER 38 1HB SER 38 1.319 -12.187 33.999 310 H THR 39 H THR 39 -2.259 -10.595 33.952 311 HA THR 39 HA THR 39 -4.093 -10.656 31.810 312 HB THR 39 HB THR 39 -3.359 -8.328 33.612 313 HG1 THR 39 HG1 THR 39 -4.519 -10.580 34.226 314 HG21 THR 39 3HG2 THR 39 -4.514 -7.549 31.592 315 HG22 THR 39 1HG2 THR 39 -5.557 -7.405 33.009 316 HG23 THR 39 2HG2 THR 39 -5.801 -8.725 31.865 317 H VAL 40 H VAL 40 -1.124 -8.781 32.295 318 HA VAL 40 HA VAL 40 -1.336 -7.049 30.101 319 HB VAL 40 HB VAL 40 1.210 -8.162 31.305 320 HG11 VAL 40 1HG1 VAL 40 1.593 -7.075 29.148 321 HG12 VAL 40 2HG1 VAL 40 2.261 -6.110 30.463 322 HG13 VAL 40 3HG1 VAL 40 0.739 -5.637 29.706 323 HG21 VAL 40 3HG2 VAL 40 1.193 -6.124 32.701 324 HG22 VAL 40 1HG2 VAL 40 -0.190 -7.168 33.026 325 HG23 VAL 40 2HG2 VAL 40 -0.396 -5.709 32.057 326 H ASP 41 H ASP 41 0.489 -10.122 30.310 327 HA ASP 41 HA ASP 41 1.101 -10.171 27.519 328 HB2 ASP 41 2HB ASP 41 1.204 -12.411 29.557 329 HB3 ASP 41 1HB ASP 41 1.968 -12.429 27.969 330 H GLY 42 H GLY 42 -1.510 -11.442 29.482 331 HA2 GLY 42 2HA GLY 42 -2.691 -13.204 27.639 332 HA3 GLY 42 1HA GLY 42 -3.546 -12.342 28.908 333 H ALA 43 H ALA 43 -3.191 -9.699 28.081 334 HA ALA 43 HA ALA 43 -5.217 -9.299 26.209 335 HB1 ALA 43 3HB ALA 43 -4.489 -6.975 26.126 336 HB2 ALA 43 1HB ALA 43 -2.952 -7.417 26.872 337 HB3 ALA 43 2HB ALA 43 -4.453 -7.582 27.782 338 H PHE 44 H PHE 44 -1.718 -9.485 25.719 339 HA PHE 44 HA PHE 44 -1.596 -8.868 22.987 340 HD1 PHE 44 HD2 PHE 44 1.226 -8.240 22.205 341 HD2 PHE 44 HD1 PHE 44 0.646 -12.402 22.919 342 HE1 PHE 44 HE2 PHE 44 2.589 -8.772 20.225 343 HE2 PHE 44 HE1 PHE 44 2.004 -12.937 20.943 344 HZ PHE 44 HZ PHE 44 2.978 -11.122 19.591 345 HB2 PHE 44 2HB PHE 44 0.413 -9.060 24.366 346 HB3 PHE 44 1HB PHE 44 0.108 -10.772 24.621 347 H LEU 45 H LEU 45 -2.052 -11.999 24.609 348 HA LEU 45 HA LEU 45 -2.279 -13.598 22.300 349 HG LEU 45 HG LEU 45 -0.926 -13.976 24.965 350 HB2 LEU 45 2HB LEU 45 -3.434 -13.975 25.068 351 HB3 LEU 45 1HB LEU 45 -3.442 -15.211 23.823 352 HD11 LEU 45 1HD1 LEU 45 -2.240 -16.618 25.606 353 HD12 LEU 45 2HD1 LEU 45 -2.086 -15.234 26.689 354 HD13 LEU 45 3HD1 LEU 45 -0.645 -16.102 26.159 355 HD21 LEU 45 3HD2 LEU 45 0.196 -15.849 23.855 356 HD22 LEU 45 1HD2 LEU 45 -0.667 -14.844 22.691 357 HD23 LEU 45 2HD2 LEU 45 -1.348 -16.392 23.194 358 H VAL 46 H VAL 46 -4.729 -11.825 24.164 359 HA VAL 46 HA VAL 46 -7.027 -12.766 22.867 360 HB VAL 46 HB VAL 46 -6.587 -9.971 23.960 361 HG11 VAL 46 1HG1 VAL 46 -9.005 -9.850 24.160 362 HG12 VAL 46 2HG1 VAL 46 -9.168 -11.483 23.516 363 HG13 VAL 46 3HG1 VAL 46 -8.566 -10.186 22.486 364 HG21 VAL 46 3HG2 VAL 46 -7.661 -12.449 25.320 365 HG22 VAL 46 1HG2 VAL 46 -7.633 -10.829 26.019 366 HG23 VAL 46 2HG2 VAL 46 -6.120 -11.659 25.656 367 H GLU 47 H GLU 47 -5.077 -9.858 22.114 368 HA GLU 47 HA GLU 47 -6.380 -9.079 19.769 369 HB2 GLU 47 2HB GLU 47 -3.497 -8.803 20.631 370 HB3 GLU 47 1HB GLU 47 -4.095 -8.102 19.135 371 HG2 GLU 47 2HG GLU 47 -5.145 -7.465 21.889 372 HG3 GLU 47 1HG GLU 47 -3.997 -6.482 20.981 373 H ALA 48 H ALA 48 -3.592 -11.262 20.143 374 HA ALA 48 HA ALA 48 -3.213 -11.914 17.452 375 HB1 ALA 48 3HB ALA 48 -2.766 -13.654 19.880 376 HB2 ALA 48 1HB ALA 48 -1.615 -12.507 19.195 377 HB3 ALA 48 2HB ALA 48 -2.089 -13.936 18.276 378 H LEU 49 H LEU 49 -5.529 -13.152 19.785 379 HA LEU 49 HA LEU 49 -6.478 -15.316 18.172 380 HG LEU 49 HG LEU 49 -9.419 -15.286 19.320 381 HB2 LEU 49 2HB LEU 49 -6.684 -15.292 20.617 382 HB3 LEU 49 1HB LEU 49 -7.752 -13.904 20.523 383 HD11 LEU 49 1HD1 LEU 49 -7.878 -16.889 18.291 384 HD12 LEU 49 2HD1 LEU 49 -9.150 -17.704 19.199 385 HD13 LEU 49 3HD1 LEU 49 -7.528 -17.574 19.881 386 HD21 LEU 49 3HD2 LEU 49 -10.086 -16.661 21.250 387 HD22 LEU 49 1HD2 LEU 49 -9.594 -15.036 21.728 388 HD23 LEU 49 2HD2 LEU 49 -8.500 -16.397 21.973 389 H LYS 50 H LYS 50 -7.639 -12.010 18.811 390 HA LYS 50 HA LYS 50 -10.097 -12.030 17.561 391 HB2 LYS 50 2HB LYS 50 -8.050 -9.800 17.589 392 HB3 LYS 50 1HB LYS 50 -9.729 -9.593 17.117 393 HG2 LYS 50 2HG LYS 50 -10.445 -10.211 19.375 394 HG3 LYS 50 1HG LYS 50 -8.758 -10.437 19.847 395 HD2 LYS 50 2HD LYS 50 -8.308 -8.069 19.319 396 HD3 LYS 50 1HD LYS 50 -10.004 -7.850 18.888 397 HE2 LYS 50 2HE LYS 50 -8.986 -8.654 21.615 398 HE3 LYS 50 1HE LYS 50 -9.477 -7.030 21.154 399 HZ1 LYS 50 3HZ LYS 50 -11.226 -8.205 22.338 400 HZ2 LYS 50 1HZ LYS 50 -11.248 -9.415 21.158 401 HZ3 LYS 50 2HZ LYS 50 -11.709 -7.840 20.758 402 H ARG 51 H ARG 51 -6.949 -11.386 16.026 403 HA ARG 51 HA ARG 51 -8.155 -10.885 13.454 404 HE ARG 51 HE ARG 51 -4.381 -8.881 12.997 405 HB2 ARG 51 2HB ARG 51 -5.899 -10.415 12.701 406 HB3 ARG 51 1HB ARG 51 -6.192 -9.633 14.246 407 HG2 ARG 51 2HG ARG 51 -5.012 -11.615 15.316 408 HG3 ARG 51 1HG ARG 51 -4.509 -12.062 13.684 409 HD2 ARG 51 2HD ARG 51 -3.763 -9.645 15.300 410 HD3 ARG 51 1HD ARG 51 -2.712 -10.805 14.490 411 HH11 ARG 51 1HH1 ARG 51 -1.366 -10.465 13.504 412 HH12 ARG 51 2HH1 ARG 51 -0.582 -9.596 12.239 413 HH21 ARG 51 1HH2 ARG 51 -3.364 -7.766 11.402 414 HH22 ARG 51 2HH2 ARG 51 -1.694 -8.069 11.070 415 H HIS 52 H HIS 52 -8.697 -13.531 14.388 416 HA HIS 52 HA HIS 52 -7.568 -15.053 12.134 417 HD1 HIS 52 HD1 HIS 52 -5.491 -15.183 15.787 418 HD2 HIS 52 HD2 HIS 52 -5.352 -16.960 12.042 419 HE1 HIS 52 HE1 HIS 52 -3.055 -15.368 15.227 420 HE2 HIS 52 HE2 HIS 52 -3.015 -16.239 12.869 421 HB2 HIS 52 2HB HIS 52 -7.736 -15.922 15.015 422 HB3 HIS 52 1HB HIS 52 -7.757 -17.110 13.718 423 HA PRO 53 HA PRO 53 -11.786 -16.071 11.164 424 HB2 PRO 53 2HB PRO 53 -11.475 -18.617 10.160 425 HB3 PRO 53 1HB PRO 53 -11.095 -17.145 9.259 426 HG2 PRO 53 2HG PRO 53 -9.252 -18.956 10.782 427 HG3 PRO 53 1HG PRO 53 -9.029 -18.217 9.183 428 HD2 PRO 53 2HD PRO 53 -7.849 -17.193 11.366 429 HD3 PRO 53 1HD PRO 53 -8.479 -16.142 10.080 430 H ASP 54 H ASP 54 -9.918 -18.075 13.297 431 HA ASP 54 HA ASP 54 -12.111 -19.686 14.239 432 HB2 ASP 54 2HB ASP 54 -9.333 -19.213 15.358 433 HB3 ASP 54 1HB ASP 54 -10.468 -20.417 15.961 434 H ALA 55 H ALA 55 -11.397 -16.478 14.695 435 HA ALA 55 HA ALA 55 -11.268 -15.916 17.359 436 HB1 ALA 55 3HB ALA 55 -12.836 -14.322 15.333 437 HB2 ALA 55 1HB ALA 55 -11.092 -14.240 15.583 438 HB3 ALA 55 2HB ALA 55 -12.190 -13.726 16.863 439 H THR 56 H THR 56 -14.420 -15.722 15.633 440 HA THR 56 HA THR 56 -15.983 -15.259 17.869 441 HB THR 56 HB THR 56 -16.884 -14.983 15.627 442 HG1 THR 56 HG1 THR 56 -18.314 -15.442 17.460 443 HG21 THR 56 3HG2 THR 56 -17.627 -16.918 14.298 444 HG22 THR 56 1HG2 THR 56 -16.893 -18.005 15.477 445 HG23 THR 56 2HG2 THR 56 -15.878 -16.920 14.527 446 H SER 57 H SER 57 -14.831 -18.365 16.692 447 HA SER 57 HA SER 57 -16.518 -19.938 18.422 448 HG SER 57 HG SER 57 -15.444 -22.817 17.259 449 HB2 SER 57 2HB SER 57 -15.734 -20.936 16.354 450 HB3 SER 57 1HB SER 57 -14.053 -20.676 16.819 451 H LYS 58 H LYS 58 -13.107 -18.931 18.474 452 HA LYS 58 HA LYS 58 -12.650 -20.315 20.991 453 HB2 LYS 58 2HB LYS 58 -10.819 -18.727 19.187 454 HB3 LYS 58 1HB LYS 58 -10.297 -19.490 20.688 455 HG2 LYS 58 2HG LYS 58 -10.915 -21.673 19.824 456 HG3 LYS 58 1HG LYS 58 -11.520 -20.940 18.342 457 HD2 LYS 58 2HD LYS 58 -9.307 -20.248 17.707 458 HD3 LYS 58 1HD LYS 58 -8.652 -20.748 19.270 459 HE2 LYS 58 2HE LYS 58 -8.202 -22.364 17.427 460 HE3 LYS 58 1HE LYS 58 -9.085 -23.060 18.784 461 HZ1 LYS 58 3HZ LYS 58 -10.065 -23.798 16.750 462 HZ2 LYS 58 1HZ LYS 58 -10.225 -22.218 16.171 463 HZ3 LYS 58 2HZ LYS 58 -11.150 -22.737 17.491 464 H ILE 59 H ILE 59 -13.862 -17.327 20.188 465 HA ILE 59 HA ILE 59 -13.000 -16.150 22.755 466 HB ILE 59 HB ILE 59 -14.385 -14.829 20.401 467 HG12 ILE 59 2HG1 ILE 59 -11.570 -14.507 21.487 468 HG13 ILE 59 1HG1 ILE 59 -12.003 -15.345 20.002 469 HG21 ILE 59 1HG2 ILE 59 -14.086 -12.720 21.621 470 HG22 ILE 59 2HG2 ILE 59 -13.430 -13.607 22.997 471 HG23 ILE 59 3HG2 ILE 59 -15.111 -13.841 22.519 472 HD11 ILE 59 3HD1 ILE 59 -11.123 -13.140 19.539 473 HD12 ILE 59 1HD1 ILE 59 -12.369 -12.407 20.548 474 HD13 ILE 59 2HD1 ILE 59 -12.816 -13.242 19.060 475 H GLY 60 H GLY 60 -15.946 -16.650 20.780 476 HA2 GLY 60 2HA GLY 60 -18.149 -16.928 21.388 477 HA3 GLY 60 1HA GLY 60 -17.579 -17.349 22.997 478 HA PRO 61 HA PRO 61 -19.376 -13.293 23.995 479 HB2 PRO 61 2HB PRO 61 -19.471 -13.638 26.669 480 HB3 PRO 61 1HB PRO 61 -20.642 -14.402 25.586 481 HG2 PRO 61 2HG PRO 61 -18.210 -15.582 26.881 482 HG3 PRO 61 1HG PRO 61 -19.829 -16.282 26.693 483 HD2 PRO 61 2HD PRO 61 -17.706 -16.885 25.058 484 HD3 PRO 61 1HD PRO 61 -19.404 -16.988 24.547 485 H GLY 62 H GLY 62 -16.604 -14.776 25.714 486 HA2 GLY 62 2HA GLY 62 -14.876 -12.590 25.287 487 HA3 GLY 62 1HA GLY 62 -15.590 -12.432 26.884 488 H VAL 63 H VAL 63 -13.000 -12.585 26.985 489 HA VAL 63 HA VAL 63 -12.269 -15.406 27.490 490 HB VAL 63 HB VAL 63 -10.431 -13.055 26.959 491 HG11 VAL 63 1HG1 VAL 63 -9.797 -15.995 27.280 492 HG12 VAL 63 2HG1 VAL 63 -9.397 -14.713 28.422 493 HG13 VAL 63 3HG1 VAL 63 -8.645 -14.737 26.828 494 HG21 VAL 63 3HG2 VAL 63 -9.965 -14.146 24.806 495 HG22 VAL 63 1HG2 VAL 63 -11.666 -13.700 24.950 496 HG23 VAL 63 2HG2 VAL 63 -11.172 -15.379 25.168 497 H ARG 64 H ARG 64 -11.811 -16.012 29.539 498 HA ARG 64 HA ARG 64 -11.956 -14.057 31.680 499 HE ARG 64 HE ARG 64 -12.417 -14.926 35.974 500 HB2 ARG 64 2HB ARG 64 -12.955 -16.483 31.590 501 HB3 ARG 64 1HB ARG 64 -11.346 -16.980 32.087 502 HG2 ARG 64 2HG ARG 64 -12.982 -14.962 33.614 503 HG3 ARG 64 1HG ARG 64 -13.058 -16.695 33.921 504 HD2 ARG 64 2HD ARG 64 -10.695 -16.724 34.479 505 HD3 ARG 64 1HD ARG 64 -10.558 -15.009 34.092 506 HH11 ARG 64 1HH1 ARG 64 -9.540 -16.809 35.912 507 HH12 ARG 64 2HH1 ARG 64 -9.304 -16.696 37.620 508 HH21 ARG 64 1HH2 ARG 64 -12.112 -14.792 38.147 509 HH22 ARG 64 2HH2 ARG 64 -10.744 -15.562 38.876 510 H ASN 65 H ASN 65 -9.599 -16.582 30.729 511 HA ASN 65 HA ASN 65 -7.404 -14.789 30.811 512 HB2 ASN 65 2HB ASN 65 -6.122 -15.848 32.669 513 HB3 ASN 65 1HB ASN 65 -7.556 -14.992 33.221 514 HD21 ASN 65 1HD2 ASN 65 -7.513 -16.195 35.139 515 HD22 ASN 65 2HD2 ASN 65 -8.048 -17.837 35.181 516 H PHE 66 H PHE 66 -5.229 -16.308 30.906 517 HA PHE 66 HA PHE 66 -5.744 -18.555 29.049 518 HD1 PHE 66 HD1 PHE 66 -5.104 -14.767 28.658 519 HD2 PHE 66 HD2 PHE 66 -4.706 -18.098 26.031 520 HE1 PHE 66 HE1 PHE 66 -6.293 -13.523 26.903 521 HE2 PHE 66 HE2 PHE 66 -5.892 -16.854 24.272 522 HZ PHE 66 HZ PHE 66 -6.690 -14.564 24.707 523 HB2 PHE 66 2HB PHE 66 -3.437 -16.589 29.055 524 HB3 PHE 66 1HB PHE 66 -3.490 -18.044 28.064 525 H GLU 67 H GLU 67 -4.531 -20.429 29.291 526 HA GLU 67 HA GLU 67 -2.811 -20.603 31.689 527 HB2 GLU 67 2HB GLU 67 -4.962 -21.610 32.189 528 HB3 GLU 67 1HB GLU 67 -4.884 -22.591 30.733 529 HG2 GLU 67 2HG GLU 67 -3.000 -23.832 31.641 530 HG3 GLU 67 1HG GLU 67 -2.997 -22.808 33.078 531 H VAL 68 H VAL 68 -0.884 -21.629 31.437 532 HA VAL 68 HA VAL 68 -0.201 -22.613 28.770 533 HB VAL 68 HB VAL 68 1.542 -22.144 31.204 534 HG11 VAL 68 1HG1 VAL 68 3.445 -22.433 29.653 535 HG12 VAL 68 2HG1 VAL 68 2.319 -22.915 28.383 536 HG13 VAL 68 3HG1 VAL 68 2.496 -23.910 29.830 537 HG21 VAL 68 3HG2 VAL 68 2.390 -20.218 29.931 538 HG22 VAL 68 1HG2 VAL 68 0.660 -20.080 30.246 539 HG23 VAL 68 2HG2 VAL 68 1.230 -20.560 28.646 540 H ARG 69 H ARG 69 -0.785 -24.707 28.419 541 HA ARG 69 HA ARG 69 -0.068 -26.688 30.505 542 HE ARG 69 HE ARG 69 -3.092 -29.475 28.075 543 HB2 ARG 69 2HB ARG 69 -2.573 -26.313 29.986 544 HB3 ARG 69 1HB ARG 69 -2.248 -27.122 28.459 545 HG2 ARG 69 2HG ARG 69 -1.447 -29.101 29.718 546 HG3 ARG 69 1HG ARG 69 -1.875 -28.284 31.220 547 HD2 ARG 69 2HD ARG 69 -3.702 -29.683 30.791 548 HD3 ARG 69 1HD ARG 69 -4.237 -28.099 30.231 549 HH11 ARG 69 1HH1 ARG 69 -5.917 -29.544 30.045 550 HH12 ARG 69 2HH1 ARG 69 -6.834 -30.433 28.881 551 HH21 ARG 69 1HH2 ARG 69 -4.295 -30.599 26.594 552 HH22 ARG 69 2HH2 ARG 69 -5.938 -31.010 26.952 553 H SER 70 H SER 70 0.695 -28.760 29.762 554 HA SER 70 HA SER 70 2.405 -28.603 27.466 555 HG SER 70 HG SER 70 1.536 -31.069 30.306 556 HB2 SER 70 2HB SER 70 3.023 -30.927 28.019 557 HB3 SER 70 1HB SER 70 3.062 -29.902 29.454 558 H ALA 71 H ALA 71 2.111 -29.376 25.431 559 HA ALA 71 HA ALA 71 -0.518 -30.501 24.770 560 HB1 ALA 71 3HB ALA 71 1.635 -29.445 22.930 561 HB2 ALA 71 1HB ALA 71 0.238 -28.538 23.509 562 HB3 ALA 71 2HB ALA 71 0.007 -29.934 22.458 563 H ASP 72 H ASP 72 2.806 -31.085 23.601 564 HA ASP 72 HA ASP 72 2.126 -33.943 23.303 565 HB2 ASP 72 2HB ASP 72 4.254 -32.344 21.853 566 HB3 ASP 72 1HB ASP 72 3.838 -34.029 21.555 567 H TYR 73 H TYR 73 4.570 -35.065 23.024 568 HA TYR 73 HA TYR 73 5.503 -35.609 25.541 569 HD1 TYR 73 HD1 TYR 73 6.365 -38.456 25.277 570 HD2 TYR 73 HD2 TYR 73 5.274 -36.625 21.593 571 HE1 TYR 73 HE1 TYR 73 5.070 -40.457 24.674 572 HE2 TYR 73 HE2 TYR 73 3.975 -38.619 20.980 573 HH TYR 73 HH TYR 73 3.777 -40.929 21.502 574 HB2 TYR 73 2HB TYR 73 7.064 -35.699 22.946 575 HB3 TYR 73 1HB TYR 73 7.567 -36.481 24.441 576 H GLY 74 H GLY 74 6.488 -32.912 23.506 577 HA2 GLY 74 2HA GLY 74 7.846 -31.711 25.789 578 HA3 GLY 74 1HA GLY 74 8.867 -32.058 24.401 579 H THR 75 H THR 75 5.557 -30.713 24.737 580 HA THR 75 HA THR 75 6.474 -28.227 23.454 581 HB THR 75 HB THR 75 4.580 -28.170 21.899 582 HG1 THR 75 HG1 THR 75 3.392 -30.216 21.635 583 HG21 THR 75 3HG2 THR 75 6.669 -29.126 21.060 584 HG22 THR 75 1HG2 THR 75 5.282 -29.938 20.336 585 HG23 THR 75 2HG2 THR 75 6.184 -30.723 21.633 586 H GLN 76 H GLN 76 5.254 -26.402 23.932 587 HA GLN 76 HA GLN 76 3.271 -26.694 26.100 588 HB2 GLN 76 2HB GLN 76 4.898 -24.263 25.305 589 HB3 GLN 76 1HB GLN 76 3.807 -24.369 26.677 590 HG2 GLN 76 2HG GLN 76 5.241 -25.902 27.804 591 HG3 GLN 76 1HG GLN 76 6.252 -26.098 26.371 592 HE21 GLN 76 1HE2 GLN 76 5.413 -23.986 29.011 593 HE22 GLN 76 2HE2 GLN 76 6.745 -22.906 28.835 594 H CYS 77 H CYS 77 1.301 -25.504 25.993 595 HA CYS 77 HA CYS 77 0.727 -24.061 23.499 596 HG CYS 77 HG CYS 77 -1.052 -26.293 26.191 597 HB2 CYS 77 2HB CYS 77 -1.422 -25.254 23.214 598 HB3 CYS 77 1HB CYS 77 -0.043 -26.337 23.064 599 H PHE 78 H PHE 78 -0.650 -22.355 23.714 600 HA PHE 78 HA PHE 78 -1.464 -21.558 26.377 601 HD1 PHE 78 HD2 PHE 78 -0.701 -19.094 27.067 602 HD2 PHE 78 HD1 PHE 78 0.485 -19.794 23.033 603 HE1 PHE 78 HE2 PHE 78 1.460 -18.011 27.515 604 HE2 PHE 78 HE1 PHE 78 2.648 -18.712 23.482 605 HZ PHE 78 HZ PHE 78 3.139 -17.817 25.726 606 HB2 PHE 78 2HB PHE 78 -1.723 -20.217 23.673 607 HB3 PHE 78 1HB PHE 78 -2.365 -19.517 25.152 608 H TRP 79 H TRP 79 -3.302 -22.290 27.240 609 HA TRP 79 HA TRP 79 -5.596 -22.918 25.536 610 HD1 TRP 79 HD1 TRP 79 -3.009 -25.174 27.318 611 HE1 TRP 79 HE1 TRP 79 -3.216 -27.500 26.227 612 HE3 TRP 79 HE3 TRP 79 -8.031 -25.189 26.399 613 HZ2 TRP 79 HZ2 TRP 79 -5.245 -29.121 25.121 614 HZ3 TRP 79 HZ3 TRP 79 -9.033 -27.160 25.318 615 HH2 TRP 79 HH2 TRP 79 -7.666 -29.086 24.692 616 HB2 TRP 79 2HB TRP 79 -4.925 -23.548 28.406 617 HB3 TRP 79 1HB TRP 79 -6.561 -23.746 27.785 618 H ILE 80 H ILE 80 -7.315 -21.688 25.376 619 HA ILE 80 HA ILE 80 -7.443 -19.137 26.773 620 HB ILE 80 HB ILE 80 -9.289 -20.186 24.614 621 HG12 ILE 80 2HG1 ILE 80 -6.819 -18.465 24.243 622 HG13 ILE 80 1HG1 ILE 80 -6.881 -20.192 23.902 623 HG21 ILE 80 1HG2 ILE 80 -10.162 -18.271 25.851 624 HG22 ILE 80 2HG2 ILE 80 -9.747 -17.805 24.202 625 HG23 ILE 80 3HG2 ILE 80 -8.679 -17.369 25.537 626 HD11 ILE 80 3HD1 ILE 80 -7.116 -18.880 21.878 627 HD12 ILE 80 1HD1 ILE 80 -8.528 -18.067 22.550 628 HD13 ILE 80 2HD1 ILE 80 -8.588 -19.795 22.205 629 H LEU 81 H LEU 81 -8.428 -19.223 28.755 630 HA LEU 81 HA LEU 81 -10.710 -20.952 29.216 631 HG LEU 81 HG LEU 81 -8.841 -20.814 32.444 632 HB2 LEU 81 2HB LEU 81 -9.327 -18.904 30.955 633 HB3 LEU 81 1HB LEU 81 -10.771 -19.756 31.463 634 HD11 LEU 81 1HD1 LEU 81 -9.114 -23.110 31.635 635 HD12 LEU 81 2HD1 LEU 81 -9.977 -22.502 30.221 636 HD13 LEU 81 3HD1 LEU 81 -10.659 -22.284 31.832 637 HD21 LEU 81 3HD2 LEU 81 -7.137 -20.096 30.858 638 HD22 LEU 81 1HD2 LEU 81 -7.797 -21.182 29.634 639 HD23 LEU 81 2HD2 LEU 81 -7.072 -21.840 31.102 640 H ARG 82 H ARG 82 -12.330 -20.286 27.868 641 HA ARG 82 HA ARG 82 -13.064 -17.544 27.502 642 HE ARG 82 HE ARG 82 -13.554 -21.697 25.313 643 HB2 ARG 82 2HB ARG 82 -14.456 -20.125 26.752 644 HB3 ARG 82 1HB ARG 82 -15.022 -18.530 26.272 645 HG2 ARG 82 2HG ARG 82 -13.063 -18.146 24.959 646 HG3 ARG 82 1HG ARG 82 -12.293 -19.605 25.583 647 HD2 ARG 82 2HD ARG 82 -14.867 -19.651 24.010 648 HD3 ARG 82 1HD ARG 82 -13.279 -19.770 23.254 649 HH11 ARG 82 1HH1 ARG 82 -14.611 -21.031 22.088 650 HH12 ARG 82 2HH1 ARG 82 -14.722 -22.705 21.674 651 HH21 ARG 82 1HH2 ARG 82 -13.691 -23.855 24.722 652 HH22 ARG 82 2HH2 ARG 82 -14.222 -24.263 23.128 653 H THR 83 H THR 83 -14.792 -16.395 28.309 654 HA THR 83 HA THR 83 -15.800 -17.001 30.885 655 HB THR 83 HB THR 83 -17.375 -15.102 30.523 656 HG1 THR 83 HG1 THR 83 -17.329 -14.012 28.536 657 HG21 THR 83 3HG2 THR 83 -15.094 -14.657 31.306 658 HG22 THR 83 1HG2 THR 83 -15.666 -13.357 30.258 659 HG23 THR 83 2HG2 THR 83 -14.533 -14.558 29.636 660 H ASP 84 H ASP 84 -16.756 -18.036 27.796 661 HA ASP 84 HA ASP 84 -19.439 -18.681 28.042 662 HB2 ASP 84 2HB ASP 84 -18.102 -18.958 25.992 663 HB3 ASP 84 1HB ASP 84 -17.202 -20.267 26.745 664 H GLY 85 H GLY 85 -16.695 -20.069 29.677 665 HA2 GLY 85 2HA GLY 85 -16.863 -21.480 31.591 666 HA3 GLY 85 1HA GLY 85 -18.430 -22.037 31.020 667 H SER 86 H SER 86 -15.812 -21.827 28.775 668 HA SER 86 HA SER 86 -15.018 -24.613 29.053 669 HG SER 86 HG SER 86 -17.521 -24.690 28.558 670 HB2 SER 86 2HB SER 86 -16.463 -23.580 26.594 671 HB3 SER 86 1HB SER 86 -15.526 -25.073 26.615 672 H GLU 87 H GLU 87 -12.953 -24.960 28.356 673 HA GLU 87 HA GLU 87 -11.461 -22.638 27.433 674 HB2 GLU 87 2HB GLU 87 -9.454 -23.931 27.892 675 HB3 GLU 87 1HB GLU 87 -10.540 -23.981 29.267 676 HG2 GLU 87 2HG GLU 87 -10.365 -26.201 27.240 677 HG3 GLU 87 1HG GLU 87 -9.364 -26.128 28.688 678 H GLU 88 H GLU 88 -9.587 -23.182 25.831 679 HA GLU 88 HA GLU 88 -10.010 -25.135 23.797 680 HB2 GLU 88 2HB GLU 88 -11.854 -23.681 23.148 681 HB3 GLU 88 1HB GLU 88 -10.798 -22.277 23.158 682 HG2 GLU 88 2HG GLU 88 -11.190 -22.923 20.893 683 HG3 GLU 88 1HG GLU 88 -9.513 -23.283 21.290 684 H ARG 89 H ARG 89 -8.225 -25.266 22.388 685 HA ARG 89 HA ARG 89 -5.996 -23.448 23.061 686 HE ARG 89 HE ARG 89 -4.107 -26.797 20.242 687 HB2 ARG 89 2HB ARG 89 -4.527 -25.281 22.154 688 HB3 ARG 89 1HB ARG 89 -5.412 -25.690 23.616 689 HG2 ARG 89 2HG ARG 89 -6.938 -27.060 22.429 690 HG3 ARG 89 1HG ARG 89 -6.382 -26.451 20.869 691 HD2 ARG 89 2HD ARG 89 -4.612 -27.978 22.778 692 HD3 ARG 89 1HD ARG 89 -5.563 -28.757 21.513 693 HH11 ARG 89 1HH1 ARG 89 -3.343 -29.553 22.182 694 HH12 ARG 89 2HH1 ARG 89 -1.882 -29.883 21.321 695 HH21 ARG 89 1HH2 ARG 89 -2.198 -27.234 19.166 696 HH22 ARG 89 2HH2 ARG 89 -1.232 -28.581 19.662 697 H PHE 90 H PHE 90 -4.631 -22.630 21.433 698 HA PHE 90 HA PHE 90 -5.428 -23.090 18.645 699 HD1 PHE 90 HD1 PHE 90 -5.431 -20.571 21.816 700 HD2 PHE 90 HD2 PHE 90 -3.778 -19.052 18.192 701 HE1 PHE 90 HE1 PHE 90 -4.241 -18.833 23.085 702 HE2 PHE 90 HE2 PHE 90 -2.586 -17.316 19.463 703 HZ PHE 90 HZ PHE 90 -2.818 -17.204 21.908 704 HB2 PHE 90 2HB PHE 90 -5.348 -20.746 18.080 705 HB3 PHE 90 1HB PHE 90 -6.471 -20.955 19.416 706 H SER 91 H SER 91 -3.739 -23.652 17.430 707 HA SER 91 HA SER 91 -1.067 -23.516 18.530 708 HG SER 91 HG SER 91 -2.330 -26.414 16.918 709 HB2 SER 91 2HB SER 91 -2.058 -24.605 15.879 710 HB3 SER 91 1HB SER 91 -0.403 -24.752 16.472 711 H TYR 92 H TYR 92 -0.664 -21.297 18.608 712 HA TYR 92 HA TYR 92 -0.938 -19.390 16.641 713 HD1 TYR 92 HD1 TYR 92 0.386 -20.973 20.167 714 HD2 TYR 92 HD2 TYR 92 3.157 -18.620 17.945 715 HE1 TYR 92 HE1 TYR 92 2.251 -22.038 21.369 716 HE2 TYR 92 HE2 TYR 92 5.025 -19.677 19.142 717 HH TYR 92 HH TYR 92 5.447 -20.852 21.235 718 HB2 TYR 92 2HB TYR 92 0.835 -18.130 17.806 719 HB3 TYR 92 1HB TYR 92 -0.304 -18.851 18.935 720 H LYS 93 H LYS 93 1.658 -21.756 16.945 721 HA LYS 93 HA LYS 93 3.403 -20.530 15.049 722 HB2 LYS 93 2HB LYS 93 4.675 -22.643 15.169 723 HB3 LYS 93 1HB LYS 93 4.307 -21.978 16.754 724 HG2 LYS 93 2HG LYS 93 2.467 -23.589 16.999 725 HG3 LYS 93 1HG LYS 93 2.856 -24.264 15.415 726 HD2 LYS 93 2HD LYS 93 4.721 -24.203 17.799 727 HD3 LYS 93 1HD LYS 93 3.797 -25.607 17.262 728 HE2 LYS 93 2HE LYS 93 4.998 -25.600 15.131 729 HE3 LYS 93 1HE LYS 93 5.890 -24.161 15.629 730 HZ1 LYS 93 3HZ LYS 93 6.011 -26.812 16.966 731 HZ2 LYS 93 1HZ LYS 93 6.882 -25.429 17.418 732 HZ3 LYS 93 2HZ LYS 93 7.189 -26.172 15.930 733 H LYS 94 H LYS 94 0.716 -22.717 14.709 734 HA LYS 94 HA LYS 94 1.482 -23.533 12.018 735 HB2 LYS 94 2HB LYS 94 -0.967 -24.139 13.687 736 HB3 LYS 94 1HB LYS 94 -0.695 -24.773 12.069 737 HG2 LYS 94 2HG LYS 94 1.286 -25.958 12.835 738 HG3 LYS 94 1HG LYS 94 1.095 -25.268 14.448 739 HD2 LYS 94 2HD LYS 94 0.255 -27.573 14.346 740 HD3 LYS 94 1HD LYS 94 -1.038 -26.430 14.712 741 HE2 LYS 94 2HE LYS 94 -1.703 -26.471 12.328 742 HE3 LYS 94 1HE LYS 94 -0.451 -27.676 12.022 743 HZ1 LYS 94 3HZ LYS 94 -1.569 -29.184 13.526 744 HZ2 LYS 94 1HZ LYS 94 -2.645 -28.670 12.326 745 HZ3 LYS 94 2HZ LYS 94 -2.740 -28.021 13.882 746 H CYS 95 H CYS 95 0.173 -20.796 13.268 747 HA CYS 95 HA CYS 95 -1.701 -20.334 11.053 748 HG CYS 95 HG CYS 95 -2.306 -21.044 14.468 749 HB2 CYS 95 2HB CYS 95 -1.213 -18.668 13.539 750 HB3 CYS 95 1HB CYS 95 -2.458 -18.374 12.329 751 H VAL 96 H VAL 96 0.053 -20.177 9.518 752 HA VAL 96 HA VAL 96 1.564 -17.636 9.667 753 HB VAL 96 HB VAL 96 2.336 -20.145 8.149 754 HG11 VAL 96 1HG1 VAL 96 3.177 -18.132 7.082 755 HG12 VAL 96 2HG1 VAL 96 4.505 -19.012 7.837 756 HG13 VAL 96 3HG1 VAL 96 3.851 -17.567 8.612 757 HG21 VAL 96 3HG2 VAL 96 3.504 -19.047 10.712 758 HG22 VAL 96 1HG2 VAL 96 4.086 -20.454 9.822 759 HG23 VAL 96 2HG2 VAL 96 2.492 -20.485 10.576 760 H LEU 97 H LEU 97 0.643 -19.954 7.112 761 HA LEU 97 HA LEU 97 -0.983 -18.225 5.597 762 HG LEU 97 HG LEU 97 -0.519 -16.508 3.918 763 HB2 LEU 97 2HB LEU 97 1.412 -17.155 5.496 764 HB3 LEU 97 1HB LEU 97 1.761 -18.443 4.366 765 HD11 LEU 97 1HD1 LEU 97 0.970 -15.207 2.490 766 HD12 LEU 97 2HD1 LEU 97 2.328 -16.232 2.953 767 HD13 LEU 97 3HD1 LEU 97 1.544 -15.210 4.158 768 HD21 LEU 97 3HD2 LEU 97 1.075 -18.249 2.032 769 HD22 LEU 97 1HD2 LEU 97 -0.225 -17.148 1.571 770 HD23 LEU 97 2HD2 LEU 97 -0.573 -18.551 2.579 771 H GLU 98 H GLU 98 -1.789 -19.286 3.719 772 HA GLU 98 HA GLU 98 -1.722 -22.088 3.662 773 HB2 GLU 98 2HB GLU 98 -2.457 -20.122 1.485 774 HB3 GLU 98 1HB GLU 98 -2.706 -21.856 1.354 775 HG2 GLU 98 2HG GLU 98 -4.220 -21.782 3.279 776 HG3 GLU 98 1HG GLU 98 -3.983 -20.036 3.391 777 H HIS 99 H HIS 99 -0.416 -23.569 2.693 778 HA HIS 99 HA HIS 99 1.629 -22.610 0.810 779 HD1 HIS 99 HD1 HIS 99 4.515 -23.380 1.445 780 HD2 HIS 99 HD2 HIS 99 2.039 -23.812 4.752 781 HE1 HIS 99 HE1 HIS 99 5.776 -22.373 3.360 782 HE2 HIS 99 HE2 HIS 99 4.335 -22.788 5.373 783 HB2 HIS 99 2HB HIS 99 1.374 -25.179 2.382 784 HB3 HIS 99 1HB HIS 99 2.531 -24.992 1.065 785 H HIS 100 H HIS 100 0.756 -22.422 -1.126 786 HA HIS 100 HA HIS 100 -1.598 -23.749 -1.936 787 HD1 HIS 100 HD1 HIS 100 -0.594 -23.147 -5.909 788 HD2 HIS 100 HD2 HIS 100 -3.517 -21.643 -3.374 789 HE1 HIS 100 HE1 HIS 100 -2.679 -23.018 -7.295 790 HE2 HIS 100 HE2 HIS 100 -4.342 -21.850 -5.814 791 HB2 HIS 100 2HB HIS 100 -0.787 -21.455 -2.635 792 HB3 HIS 100 1HB HIS 100 0.334 -22.261 -3.723 793 H HIS 101 H HIS 101 -1.117 -25.995 -1.793 794 HA HIS 101 HA HIS 101 0.816 -27.180 -3.604 795 HD1 HIS 101 HD1 HIS 101 -0.491 -27.956 0.563 796 HD2 HIS 101 HD2 HIS 101 2.731 -28.544 -1.994 797 HE1 HIS 101 HE1 HIS 101 1.546 -27.861 2.020 798 HE2 HIS 101 HE2 HIS 101 3.483 -28.058 0.434 799 HB2 HIS 101 2HB HIS 101 -1.231 -28.427 -1.752 800 HB3 HIS 101 1HB HIS 101 -0.075 -29.345 -2.713 801 H HIS 102 H HIS 102 -2.720 -26.899 -3.400 802 HA HIS 102 HA HIS 102 -2.909 -28.132 -6.078 803 HD1 HIS 102 HD1 HIS 102 -4.429 -28.323 -1.938 804 HD2 HIS 102 HD2 HIS 102 -7.036 -26.749 -4.762 805 HE1 HIS 102 HE1 HIS 102 -6.158 -27.068 -0.628 806 HE2 HIS 102 HE2 HIS 102 -7.856 -26.370 -2.340 807 HB2 HIS 102 2HB HIS 102 -5.207 -28.725 -5.571 808 HB3 HIS 102 1HB HIS 102 -4.150 -29.337 -4.307 809 H HIS 103 H HIS 103 -3.816 -27.035 -7.745 810 HA HIS 103 HA HIS 103 -4.223 -24.211 -7.540 811 HD1 HIS 103 HD1 HIS 103 -7.053 -25.480 -10.478 812 HD2 HIS 103 HD2 HIS 103 -3.780 -28.026 -10.155 813 HE1 HIS 103 HE1 HIS 103 -7.773 -27.641 -11.520 814 HE2 HIS 103 HE2 HIS 103 -5.851 -29.211 -11.143 815 HB2 HIS 103 2HB HIS 103 -4.770 -24.285 -9.904 816 HB3 HIS 103 1HB HIS 103 -3.386 -25.329 -9.602 817 H HIS 104 H HIS 104 -6.284 -23.170 -8.466 818 HA HIS 104 HA HIS 104 -8.658 -24.604 -7.446 819 HD1 HIS 104 HD1 HIS 104 -10.364 -23.622 -5.416 820 HD2 HIS 104 HD2 HIS 104 -10.988 -20.985 -8.564 821 HE1 HIS 104 HE1 HIS 104 -12.824 -23.141 -5.412 822 HE2 HIS 104 HE2 HIS 104 -13.205 -21.699 -7.435 823 HB2 HIS 104 2HB HIS 104 -8.174 -22.394 -6.388 824 HB3 HIS 104 1HB HIS 104 -8.385 -21.626 -7.960 Start of MODEL 12 1 HA MET 1 HA MET 1 -3.994 2.509 1.908 2 H1 MET 1 1H MET 1 -6.117 1.490 2.315 3 H2 MET 1 2H MET 1 -5.972 2.881 3.257 4 H3 MET 1 3H MET 1 -5.795 1.354 3.967 5 HB2 MET 1 2HB MET 1 -3.479 2.066 4.862 6 HB3 MET 1 1HB MET 1 -2.364 2.777 3.702 7 HG2 MET 1 2HG MET 1 -4.969 3.949 4.658 8 HG3 MET 1 1HG MET 1 -3.345 4.508 5.054 9 HE1 MET 1 3HE MET 1 -2.094 6.013 1.692 10 HE2 MET 1 1HE MET 1 -1.774 4.405 2.341 11 HE3 MET 1 2HE MET 1 -1.764 5.807 3.411 12 H ALA 2 H ALA 2 -5.128 0.027 1.472 13 HA ALA 2 HA ALA 2 -3.894 -2.142 2.786 14 HB1 ALA 2 3HB ALA 2 -4.885 -3.536 1.063 15 HB2 ALA 2 1HB ALA 2 -5.197 -2.113 0.065 16 HB3 ALA 2 2HB ALA 2 -6.037 -2.314 1.603 17 H LYS 3 H LYS 3 -1.657 -1.892 2.780 18 HA LYS 3 HA LYS 3 -0.384 -2.829 0.292 19 HB2 LYS 3 2HB LYS 3 0.650 -0.661 2.139 20 HB3 LYS 3 1HB LYS 3 1.679 -1.508 0.992 21 HG2 LYS 3 2HG LYS 3 0.200 -0.722 -0.842 22 HG3 LYS 3 1HG LYS 3 -0.702 0.224 0.345 23 HD2 LYS 3 2HD LYS 3 1.286 1.517 0.875 24 HD3 LYS 3 1HD LYS 3 2.258 0.513 -0.203 25 HE2 LYS 3 2HE LYS 3 -0.026 2.313 -1.032 26 HE3 LYS 3 1HE LYS 3 1.692 2.646 -1.253 27 HZ1 LYS 3 3HZ LYS 3 1.808 0.621 -2.640 28 HZ2 LYS 3 1HZ LYS 3 0.792 1.807 -3.284 29 HZ3 LYS 3 2HZ LYS 3 0.134 0.457 -2.516 30 H ALA 4 H ALA 4 2.119 -3.388 1.094 31 HA ALA 4 HA ALA 4 1.787 -5.684 2.757 32 HB1 ALA 4 3HB ALA 4 3.403 -5.640 0.924 33 HB2 ALA 4 1HB ALA 4 4.192 -6.012 2.458 34 HB3 ALA 4 2HB ALA 4 4.332 -4.396 1.760 35 H GLN 5 H GLN 5 0.991 -4.817 4.740 36 HA GLN 5 HA GLN 5 2.938 -3.302 6.353 37 HB2 GLN 5 2HB GLN 5 -0.052 -3.657 6.686 38 HB3 GLN 5 1HB GLN 5 0.975 -2.807 7.833 39 HG2 GLN 5 2HG GLN 5 0.540 -2.037 4.948 40 HG3 GLN 5 1HG GLN 5 -0.186 -1.256 6.354 41 HE21 GLN 5 1HE2 GLN 5 2.750 -1.712 4.533 42 HE22 GLN 5 2HE2 GLN 5 3.642 -0.438 5.282 43 HA PRO 6 HA PRO 6 3.850 -6.871 8.780 44 HB2 PRO 6 2HB PRO 6 4.592 -5.677 11.128 45 HB3 PRO 6 1HB PRO 6 5.609 -5.699 9.683 46 HG2 PRO 6 2HG PRO 6 3.801 -3.528 10.692 47 HG3 PRO 6 1HG PRO 6 5.450 -3.400 10.050 48 HD2 PRO 6 2HD PRO 6 3.299 -2.814 8.541 49 HD3 PRO 6 1HD PRO 6 4.742 -3.580 7.844 50 H ILE 7 H ILE 7 3.191 -8.100 10.657 51 HA ILE 7 HA ILE 7 0.402 -7.752 11.291 52 HB ILE 7 HB ILE 7 2.359 -9.819 12.343 53 HG12 ILE 7 2HG1 ILE 7 0.987 -11.341 10.766 54 HG13 ILE 7 1HG1 ILE 7 0.436 -9.853 10.006 55 HG21 ILE 7 1HG2 ILE 7 -0.656 -9.736 12.513 56 HG22 ILE 7 2HG2 ILE 7 0.473 -9.528 13.850 57 HG23 ILE 7 3HG2 ILE 7 0.363 -11.081 13.025 58 HD11 ILE 7 3HD1 ILE 7 3.316 -10.702 10.249 59 HD12 ILE 7 1HD1 ILE 7 2.701 -9.294 9.380 60 HD13 ILE 7 2HD1 ILE 7 2.305 -10.918 8.820 61 H GLU 8 H GLU 8 0.127 -5.954 12.597 62 HA GLU 8 HA GLU 8 1.767 -5.578 14.951 63 HB2 GLU 8 2HB GLU 8 0.894 -3.658 13.597 64 HB3 GLU 8 1HB GLU 8 -0.728 -4.055 14.153 65 HG2 GLU 8 2HG GLU 8 0.025 -3.700 16.486 66 HG3 GLU 8 1HG GLU 8 1.602 -3.210 15.874 67 H ILE 9 H ILE 9 1.426 -6.580 16.799 68 HA ILE 9 HA ILE 9 -1.337 -7.120 17.703 69 HB ILE 9 HB ILE 9 1.081 -8.892 18.170 70 HG12 ILE 9 2HG1 ILE 9 -1.411 -9.418 16.518 71 HG13 ILE 9 1HG1 ILE 9 0.177 -9.037 15.858 72 HG21 ILE 9 1HG2 ILE 9 -0.529 -10.434 19.231 73 HG22 ILE 9 2HG2 ILE 9 -1.795 -9.220 19.041 74 HG23 ILE 9 3HG2 ILE 9 -0.412 -8.895 20.087 75 HD11 ILE 9 3HD1 ILE 9 1.072 -11.092 16.822 76 HD12 ILE 9 1HD1 ILE 9 -0.287 -11.417 15.745 77 HD13 ILE 9 2HD1 ILE 9 -0.516 -11.471 17.493 78 H ALA 10 H ALA 10 -1.677 -5.709 19.342 79 HA ALA 10 HA ALA 10 -1.402 -4.460 21.230 80 HB1 ALA 10 3HB ALA 10 -1.146 -6.660 22.276 81 HB2 ALA 10 1HB ALA 10 -0.135 -5.458 23.076 82 HB3 ALA 10 2HB ALA 10 0.588 -6.618 21.961 83 H GLY 11 H GLY 11 0.125 -3.712 18.950 84 HA2 GLY 11 2HA GLY 11 1.610 -1.907 18.637 85 HA3 GLY 11 1HA GLY 11 2.306 -2.217 20.220 86 H HIS 12 H HIS 12 2.539 -5.145 19.521 87 HA HIS 12 HA HIS 12 5.208 -5.018 18.463 88 HD1 HIS 12 HD1 HIS 12 6.686 -7.526 20.706 89 HD2 HIS 12 HD2 HIS 12 3.033 -5.737 21.582 90 HE1 HIS 12 HE1 HIS 12 6.749 -7.036 23.166 91 HE2 HIS 12 HE2 HIS 12 4.497 -6.054 23.695 92 HB2 HIS 12 2HB HIS 12 3.476 -7.416 19.127 93 HB3 HIS 12 1HB HIS 12 5.190 -7.485 18.735 94 H GLU 13 H GLU 13 5.278 -4.443 16.334 95 HA GLU 13 HA GLU 13 3.502 -5.781 14.429 96 HB2 GLU 13 2HB GLU 13 4.444 -4.086 12.805 97 HB3 GLU 13 1HB GLU 13 3.505 -3.437 14.142 98 HG2 GLU 13 2HG GLU 13 5.546 -2.812 15.307 99 HG3 GLU 13 1HG GLU 13 6.518 -3.522 14.019 100 H PHE 14 H PHE 14 4.252 -7.734 13.855 101 HA PHE 14 HA PHE 14 7.100 -8.182 13.372 102 HD1 PHE 14 HD1 PHE 14 7.742 -10.324 15.315 103 HD2 PHE 14 HD2 PHE 14 3.544 -9.636 15.106 104 HE1 PHE 14 HE1 PHE 14 7.595 -10.511 17.763 105 HE2 PHE 14 HE2 PHE 14 3.389 -9.828 17.551 106 HZ PHE 14 HZ PHE 14 5.416 -10.263 18.885 107 HB2 PHE 14 2HB PHE 14 4.795 -10.137 13.126 108 HB3 PHE 14 1HB PHE 14 6.510 -10.533 13.195 109 H ALA 15 H ALA 15 8.008 -8.118 11.365 110 HA ALA 15 HA ALA 15 6.488 -7.480 9.043 111 HB1 ALA 15 3HB ALA 15 8.596 -7.644 7.838 112 HB2 ALA 15 1HB ALA 15 9.343 -8.441 9.223 113 HB3 ALA 15 2HB ALA 15 8.812 -6.765 9.351 114 H ARG 16 H ARG 16 7.219 -10.456 10.523 115 HA ARG 16 HA ARG 16 6.118 -11.959 8.272 116 HE ARG 16 HE ARG 16 11.923 -11.193 9.479 117 HB2 ARG 16 2HB ARG 16 8.022 -13.698 8.720 118 HB3 ARG 16 1HB ARG 16 8.350 -12.298 7.705 119 HG2 ARG 16 2HG ARG 16 9.344 -11.146 9.644 120 HG3 ARG 16 1HG ARG 16 9.063 -12.584 10.623 121 HD2 ARG 16 2HD ARG 16 10.649 -13.844 9.421 122 HD3 ARG 16 1HD ARG 16 10.686 -12.685 8.090 123 HH11 ARG 16 1HH1 ARG 16 11.610 -14.379 10.777 124 HH12 ARG 16 2HH1 ARG 16 12.872 -14.130 11.933 125 HH21 ARG 16 1HH2 ARG 16 13.548 -10.921 10.930 126 HH22 ARG 16 2HH2 ARG 16 13.967 -12.211 12.004 127 H LYS 17 H LYS 17 5.041 -13.828 8.848 128 HA LYS 17 HA LYS 17 3.897 -13.903 11.420 129 HB2 LYS 17 2HB LYS 17 3.189 -14.914 9.029 130 HB3 LYS 17 1HB LYS 17 3.861 -16.372 9.734 131 HG2 LYS 17 2HG LYS 17 1.541 -14.742 10.761 132 HG3 LYS 17 1HG LYS 17 1.494 -16.367 10.080 133 HD2 LYS 17 2HD LYS 17 3.031 -17.021 12.040 134 HD3 LYS 17 1HD LYS 17 2.565 -15.474 12.749 135 HE2 LYS 17 2HE LYS 17 0.804 -17.829 12.084 136 HE3 LYS 17 1HE LYS 17 1.104 -17.105 13.662 137 HZ1 LYS 17 3HZ LYS 17 -1.022 -16.423 12.935 138 HZ2 LYS 17 1HZ LYS 17 -0.446 -15.952 11.416 139 HZ3 LYS 17 2HZ LYS 17 -0.009 -15.076 12.797 140 H ALA 18 H ALA 18 6.523 -15.795 9.972 141 HA ALA 18 HA ALA 18 6.816 -17.781 11.911 142 HB1 ALA 18 3HB ALA 18 8.978 -16.503 10.234 143 HB2 ALA 18 1HB ALA 18 7.952 -17.853 9.751 144 HB3 ALA 18 2HB ALA 18 9.103 -18.048 11.073 145 H ASP 19 H ASP 19 8.012 -14.464 11.900 146 HA ASP 19 HA ASP 19 9.747 -14.701 14.137 147 HB2 ASP 19 2HB ASP 19 9.694 -12.844 12.384 148 HB3 ASP 19 1HB ASP 19 8.315 -12.184 13.257 149 H ALA 20 H ALA 20 6.345 -13.746 13.793 150 HA ALA 20 HA ALA 20 5.805 -13.229 16.518 151 HB1 ALA 20 3HB ALA 20 3.914 -14.220 14.373 152 HB2 ALA 20 1HB ALA 20 4.316 -12.532 14.688 153 HB3 ALA 20 2HB ALA 20 3.448 -13.475 15.902 154 H LEU 21 H LEU 21 5.708 -16.202 14.594 155 HA LEU 21 HA LEU 21 4.593 -17.921 16.528 156 HG LEU 21 HG LEU 21 4.393 -17.684 13.452 157 HB2 LEU 21 2HB LEU 21 6.556 -18.526 14.305 158 HB3 LEU 21 1HB LEU 21 5.705 -19.746 15.235 159 HD11 LEU 21 1HD1 LEU 21 5.613 -19.342 12.156 160 HD12 LEU 21 2HD1 LEU 21 3.872 -19.586 11.996 161 HD13 LEU 21 3HD1 LEU 21 4.818 -20.644 13.045 162 HD21 LEU 21 3HD2 LEU 21 2.978 -18.307 15.344 163 HD22 LEU 21 1HD2 LEU 21 3.208 -20.015 14.967 164 HD23 LEU 21 2HD2 LEU 21 2.344 -18.970 13.839 165 H ALA 22 H ALA 22 8.005 -17.203 15.773 166 HA ALA 22 HA ALA 22 9.209 -18.797 17.725 167 HB1 ALA 22 3HB ALA 22 10.473 -17.735 15.927 168 HB2 ALA 22 1HB ALA 22 11.160 -17.325 17.500 169 HB3 ALA 22 2HB ALA 22 10.172 -16.147 16.635 170 H PHE 23 H PHE 23 8.290 -15.347 17.927 171 HA PHE 23 HA PHE 23 9.076 -14.800 20.525 172 HD1 PHE 23 HD1 PHE 23 9.200 -12.164 21.231 173 HD2 PHE 23 HD2 PHE 23 5.080 -13.077 20.626 174 HE1 PHE 23 HE1 PHE 23 8.604 -10.752 23.157 175 HE2 PHE 23 HE2 PHE 23 4.483 -11.666 22.548 176 HZ PHE 23 HZ PHE 23 6.245 -10.501 23.818 177 HB2 PHE 23 2HB PHE 23 8.279 -13.054 19.025 178 HB3 PHE 23 1HB PHE 23 6.661 -13.747 19.023 179 H MET 24 H MET 24 5.818 -15.899 19.506 180 HA MET 24 HA MET 24 4.820 -16.130 22.143 181 HB2 MET 24 2HB MET 24 3.870 -17.291 19.523 182 HB3 MET 24 1HB MET 24 3.010 -17.544 21.037 183 HG2 MET 24 2HG MET 24 2.822 -15.085 21.287 184 HG3 MET 24 1HG MET 24 3.558 -14.904 19.696 185 HE1 MET 24 3HE MET 24 2.290 -17.141 17.903 186 HE2 MET 24 1HE MET 24 2.407 -15.439 17.450 187 HE3 MET 24 2HE MET 24 0.871 -16.290 17.289 188 H LYS 25 H LYS 25 6.591 -18.397 20.112 189 HA LYS 25 HA LYS 25 5.982 -20.696 21.689 190 HB2 LYS 25 2HB LYS 25 6.797 -20.818 19.330 191 HB3 LYS 25 1HB LYS 25 8.384 -20.307 19.889 192 HG2 LYS 25 2HG LYS 25 8.355 -22.706 19.600 193 HG3 LYS 25 1HG LYS 25 8.509 -22.321 21.315 194 HD2 LYS 25 2HD LYS 25 6.084 -22.710 21.597 195 HD3 LYS 25 1HD LYS 25 5.968 -23.138 19.890 196 HE2 LYS 25 2HE LYS 25 6.059 -25.171 21.127 197 HE3 LYS 25 1HE LYS 25 7.621 -24.978 20.333 198 HZ1 LYS 25 3HZ LYS 25 7.015 -24.402 23.184 199 HZ2 LYS 25 1HZ LYS 25 8.510 -24.130 22.438 200 HZ3 LYS 25 2HZ LYS 25 7.916 -25.701 22.588 201 H VAL 26 H VAL 26 8.646 -18.336 21.757 202 HA VAL 26 HA VAL 26 10.409 -19.577 23.488 203 HB VAL 26 HB VAL 26 9.694 -16.634 23.385 204 HG11 VAL 26 1HG1 VAL 26 10.756 -17.161 25.527 205 HG12 VAL 26 2HG1 VAL 26 11.842 -16.223 24.500 206 HG13 VAL 26 3HG1 VAL 26 12.083 -17.961 24.682 207 HG21 VAL 26 3HG2 VAL 26 11.733 -16.438 22.031 208 HG22 VAL 26 1HG2 VAL 26 10.565 -17.521 21.276 209 HG23 VAL 26 2HG2 VAL 26 11.965 -18.185 22.121 210 H MET 27 H MET 27 7.885 -17.256 24.561 211 HA MET 27 HA MET 27 8.099 -17.872 27.292 212 HB2 MET 27 2HB MET 27 5.886 -16.809 27.547 213 HB3 MET 27 1HB MET 27 6.979 -15.851 26.559 214 HG2 MET 27 2HG MET 27 5.852 -16.577 24.543 215 HG3 MET 27 1HG MET 27 4.800 -17.639 25.484 216 HE1 MET 27 3HE MET 27 2.368 -14.754 24.310 217 HE2 MET 27 1HE MET 27 2.658 -16.492 24.302 218 HE3 MET 27 2HE MET 27 3.720 -15.419 23.392 219 H LEU 28 H LEU 28 6.135 -19.322 24.745 220 HA LEU 28 HA LEU 28 4.489 -20.966 26.286 221 HG LEU 28 HG LEU 28 4.438 -23.510 24.316 222 HB2 LEU 28 2HB LEU 28 4.251 -20.529 23.853 223 HB3 LEU 28 1HB LEU 28 5.647 -21.543 23.551 224 HD11 LEU 28 1HD1 LEU 28 3.080 -22.490 26.058 225 HD12 LEU 28 2HD1 LEU 28 2.071 -23.393 24.927 226 HD13 LEU 28 3HD1 LEU 28 2.136 -21.632 24.838 227 HD21 LEU 28 3HD2 LEU 28 2.801 -21.878 22.369 228 HD22 LEU 28 1HD2 LEU 28 2.745 -23.633 22.557 229 HD23 LEU 28 2HD2 LEU 28 4.215 -22.855 21.968 230 H ASN 29 H ASN 29 7.853 -21.431 25.307 231 HA ASN 29 HA ASN 29 8.092 -24.143 26.126 232 HB2 ASN 29 2HB ASN 29 10.174 -21.957 25.889 233 HB3 ASN 29 1HB ASN 29 10.562 -23.630 26.263 234 HD21 ASN 29 1HD2 ASN 29 9.858 -21.386 23.810 235 HD22 ASN 29 2HD2 ASN 29 9.951 -22.480 22.479 236 H ARG 30 H ARG 30 8.349 -21.082 27.862 237 HA ARG 30 HA ARG 30 9.393 -22.280 30.271 238 HE ARG 30 HE ARG 30 13.089 -20.093 30.000 239 HB2 ARG 30 2HB ARG 30 8.672 -19.531 29.382 240 HB3 ARG 30 1HB ARG 30 8.616 -19.839 31.114 241 HG2 ARG 30 2HG ARG 30 10.766 -18.932 30.501 242 HG3 ARG 30 1HG ARG 30 10.951 -20.595 31.050 243 HD2 ARG 30 2HD ARG 30 11.017 -21.322 28.670 244 HD3 ARG 30 1HD ARG 30 10.958 -19.624 28.187 245 HH11 ARG 30 1HH1 ARG 30 12.201 -20.522 26.702 246 HH12 ARG 30 2HH1 ARG 30 13.837 -20.523 26.152 247 HH21 ARG 30 1HH2 ARG 30 15.172 -20.088 29.287 248 HH22 ARG 30 2HH2 ARG 30 15.500 -20.269 27.597 249 H TYR 31 H TYR 31 6.220 -21.402 29.064 250 HA TYR 31 HA TYR 31 4.938 -21.997 31.608 251 HD1 TYR 31 HD1 TYR 31 3.212 -20.061 32.325 252 HD2 TYR 31 HD2 TYR 31 4.518 -19.211 28.362 253 HE1 TYR 31 HE1 TYR 31 3.330 -17.668 32.881 254 HE2 TYR 31 HE2 TYR 31 4.642 -16.820 28.911 255 HH TYR 31 HH TYR 31 3.986 -15.231 30.433 256 HB2 TYR 31 2HB TYR 31 3.772 -21.375 28.878 257 HB3 TYR 31 1HB TYR 31 2.815 -21.657 30.326 258 H ARG 32 H ARG 32 4.761 -24.077 32.222 259 HA ARG 32 HA ARG 32 4.864 -26.264 30.353 260 HE ARG 32 HE ARG 32 8.503 -26.453 33.929 261 HB2 ARG 32 2HB ARG 32 4.317 -26.198 33.333 262 HB3 ARG 32 1HB ARG 32 4.439 -27.676 32.396 263 HG2 ARG 32 2HG ARG 32 6.518 -27.469 33.408 264 HG3 ARG 32 1HG ARG 32 6.788 -26.883 31.769 265 HD2 ARG 32 2HD ARG 32 6.929 -24.649 32.468 266 HD3 ARG 32 1HD ARG 32 6.132 -24.985 34.007 267 HH11 ARG 32 1HH1 ARG 32 7.559 -23.137 34.013 268 HH12 ARG 32 2HH1 ARG 32 8.943 -22.667 34.933 269 HH21 ARG 32 1HH2 ARG 32 10.263 -25.823 35.094 270 HH22 ARG 32 2HH2 ARG 32 10.461 -24.159 35.513 271 HA PRO 33 HA PRO 33 0.470 -27.114 29.790 272 HB2 PRO 33 2HB PRO 33 0.350 -29.821 30.334 273 HB3 PRO 33 1HB PRO 33 0.845 -29.132 28.784 274 HG2 PRO 33 2HG PRO 33 2.541 -30.140 31.035 275 HG3 PRO 33 1HG PRO 33 2.750 -30.331 29.291 276 HD2 PRO 33 2HD PRO 33 4.192 -28.547 30.686 277 HD3 PRO 33 1HD PRO 33 3.662 -28.220 29.022 278 H GLY 34 H GLY 34 0.262 -25.810 31.725 279 HA2 GLY 34 2HA GLY 34 -1.583 -26.553 33.548 280 HA3 GLY 34 1HA GLY 34 -0.093 -27.102 34.299 281 H ASP 35 H ASP 35 1.106 -24.615 32.770 282 HA ASP 35 HA ASP 35 0.826 -22.767 34.973 283 HB2 ASP 35 2HB ASP 35 2.482 -22.837 32.468 284 HB3 ASP 35 1HB ASP 35 2.349 -21.346 33.394 285 H ILE 36 H ILE 36 -0.059 -20.732 34.948 286 HA ILE 36 HA ILE 36 -1.862 -20.037 32.755 287 HB ILE 36 HB ILE 36 -1.384 -18.658 35.415 288 HG12 ILE 36 2HG1 ILE 36 -2.421 -20.868 35.665 289 HG13 ILE 36 1HG1 ILE 36 -3.569 -19.591 36.051 290 HG21 ILE 36 1HG2 ILE 36 -2.154 -17.062 33.748 291 HG22 ILE 36 2HG2 ILE 36 -3.438 -17.392 34.912 292 HG23 ILE 36 3HG2 ILE 36 -3.490 -18.130 33.311 293 HD11 ILE 36 3HD1 ILE 36 -4.605 -21.378 34.769 294 HD12 ILE 36 1HD1 ILE 36 -3.453 -21.120 33.461 295 HD13 ILE 36 2HD1 ILE 36 -4.618 -19.861 33.870 296 H VAL 37 H VAL 37 -1.512 -18.382 31.351 297 HA VAL 37 HA VAL 37 1.124 -17.311 31.068 298 HB VAL 37 HB VAL 37 -1.424 -16.518 29.628 299 HG11 VAL 37 1HG1 VAL 37 1.472 -16.062 28.894 300 HG12 VAL 37 2HG1 VAL 37 0.312 -14.826 29.386 301 HG13 VAL 37 3HG1 VAL 37 0.087 -15.692 27.866 302 HG21 VAL 37 3HG2 VAL 37 -0.678 -18.051 27.863 303 HG22 VAL 37 1HG2 VAL 37 -0.949 -18.902 29.384 304 HG23 VAL 37 2HG2 VAL 37 0.695 -18.533 28.861 305 H SER 38 H SER 38 1.867 -15.219 31.413 306 HA SER 38 HA SER 38 0.801 -13.815 33.615 307 HG SER 38 HG SER 38 3.668 -12.883 30.999 308 HB2 SER 38 2HB SER 38 2.583 -12.262 33.315 309 HB3 SER 38 1HB SER 38 3.218 -13.827 32.812 310 H THR 39 H THR 39 0.414 -11.377 33.543 311 HA THR 39 HA THR 39 -1.849 -10.807 31.908 312 HB THR 39 HB THR 39 -0.194 -8.904 33.599 313 HG1 THR 39 HG1 THR 39 -1.685 -9.366 35.207 314 HG21 THR 39 3HG2 THR 39 -3.001 -8.613 32.501 315 HG22 THR 39 1HG2 THR 39 -1.583 -7.701 31.975 316 HG23 THR 39 2HG2 THR 39 -2.210 -7.493 33.612 317 H VAL 40 H VAL 40 1.568 -9.877 31.752 318 HA VAL 40 HA VAL 40 1.343 -7.997 29.642 319 HB VAL 40 HB VAL 40 3.721 -9.729 30.382 320 HG11 VAL 40 1HG1 VAL 40 3.602 -7.198 28.730 321 HG12 VAL 40 2HG1 VAL 40 3.951 -8.820 28.129 322 HG13 VAL 40 3HG1 VAL 40 5.074 -8.028 29.234 323 HG21 VAL 40 3HG2 VAL 40 4.501 -7.757 31.628 324 HG22 VAL 40 1HG2 VAL 40 2.966 -8.356 32.254 325 HG23 VAL 40 2HG2 VAL 40 3.002 -6.916 31.237 326 H ASP 41 H ASP 41 2.523 -11.377 29.513 327 HA ASP 41 HA ASP 41 2.527 -11.561 26.696 328 HB2 ASP 41 2HB ASP 41 2.234 -13.819 28.694 329 HB3 ASP 41 1HB ASP 41 2.778 -13.965 27.025 330 H GLY 42 H GLY 42 0.065 -12.312 29.114 331 HA2 GLY 42 2HA GLY 42 -1.848 -13.533 27.464 332 HA3 GLY 42 1HA GLY 42 -2.198 -12.648 28.942 333 H ALA 43 H ALA 43 -1.343 -10.077 28.197 334 HA ALA 43 HA ALA 43 -3.534 -9.029 26.797 335 HB1 ALA 43 3HB ALA 43 -0.804 -7.771 27.132 336 HB2 ALA 43 1HB ALA 43 -2.113 -7.707 28.313 337 HB3 ALA 43 2HB ALA 43 -2.304 -6.927 26.743 338 H PHE 44 H PHE 44 -0.289 -9.878 25.671 339 HA PHE 44 HA PHE 44 -0.523 -9.051 23.000 340 HD1 PHE 44 HD1 PHE 44 0.850 -12.790 22.124 341 HD2 PHE 44 HD2 PHE 44 2.350 -8.805 21.938 342 HE1 PHE 44 HE1 PHE 44 1.774 -13.242 19.892 343 HE2 PHE 44 HE2 PHE 44 3.268 -9.259 19.703 344 HZ PHE 44 HZ PHE 44 2.981 -11.477 18.680 345 HB2 PHE 44 2HB PHE 44 1.604 -9.748 24.032 346 HB3 PHE 44 1HB PHE 44 1.019 -11.403 24.133 347 H LEU 45 H LEU 45 -1.221 -12.222 24.474 348 HA LEU 45 HA LEU 45 -2.133 -13.547 22.192 349 HG LEU 45 HG LEU 45 -0.540 -14.366 24.663 350 HB2 LEU 45 2HB LEU 45 -2.948 -13.889 25.077 351 HB3 LEU 45 1HB LEU 45 -3.371 -15.013 23.799 352 HD11 LEU 45 1HD1 LEU 45 -2.271 -16.771 25.248 353 HD12 LEU 45 2HD1 LEU 45 -1.678 -15.584 26.411 354 HD13 LEU 45 3HD1 LEU 45 -0.544 -16.655 25.590 355 HD21 LEU 45 3HD2 LEU 45 0.077 -16.279 23.252 356 HD22 LEU 45 1HD2 LEU 45 -0.680 -14.995 22.311 357 HD23 LEU 45 2HD2 LEU 45 -1.602 -16.438 22.734 358 H VAL 46 H VAL 46 -3.935 -11.504 24.476 359 HA VAL 46 HA VAL 46 -6.519 -11.913 23.489 360 HB VAL 46 HB VAL 46 -5.342 -9.378 24.669 361 HG11 VAL 46 1HG1 VAL 46 -8.246 -10.140 24.289 362 HG12 VAL 46 2HG1 VAL 46 -7.383 -8.872 23.420 363 HG13 VAL 46 3HG1 VAL 46 -7.660 -8.718 25.154 364 HG21 VAL 46 3HG2 VAL 46 -6.385 -10.127 26.759 365 HG22 VAL 46 1HG2 VAL 46 -5.219 -11.314 26.170 366 HG23 VAL 46 2HG2 VAL 46 -6.948 -11.595 25.959 367 H GLU 47 H GLU 47 -4.178 -9.363 22.539 368 HA GLU 47 HA GLU 47 -5.770 -8.275 20.480 369 HB2 GLU 47 2HB GLU 47 -2.787 -8.228 20.936 370 HB3 GLU 47 1HB GLU 47 -3.559 -7.359 19.617 371 HG2 GLU 47 2HG GLU 47 -4.082 -6.941 22.559 372 HG3 GLU 47 1HG GLU 47 -3.117 -5.899 21.514 373 H ALA 48 H ALA 48 -3.359 -10.880 20.420 374 HA ALA 48 HA ALA 48 -3.300 -11.309 17.639 375 HB1 ALA 48 3HB ALA 48 -2.432 -13.533 18.160 376 HB2 ALA 48 1HB ALA 48 -2.952 -13.356 19.838 377 HB3 ALA 48 2HB ALA 48 -1.682 -12.317 19.193 378 H LEU 49 H LEU 49 -5.537 -12.421 20.120 379 HA LEU 49 HA LEU 49 -7.059 -14.138 18.406 380 HG LEU 49 HG LEU 49 -9.814 -13.473 19.971 381 HB2 LEU 49 2HB LEU 49 -7.086 -14.486 20.802 382 HB3 LEU 49 1HB LEU 49 -7.695 -12.863 21.071 383 HD11 LEU 49 1HD1 LEU 49 -9.028 -15.164 18.436 384 HD12 LEU 49 2HD1 LEU 49 -10.289 -15.836 19.470 385 HD13 LEU 49 3HD1 LEU 49 -8.596 -16.224 19.778 386 HD21 LEU 49 3HD2 LEU 49 -10.669 -14.953 21.729 387 HD22 LEU 49 1HD2 LEU 49 -9.627 -13.691 22.389 388 HD23 LEU 49 2HD2 LEU 49 -9.014 -15.336 22.209 389 H LYS 50 H LYS 50 -7.589 -10.852 19.679 390 HA LYS 50 HA LYS 50 -10.135 -10.372 18.756 391 HB2 LYS 50 2HB LYS 50 -7.832 -8.454 19.099 392 HB3 LYS 50 1HB LYS 50 -9.485 -7.937 18.787 393 HG2 LYS 50 2HG LYS 50 -10.250 -8.862 20.850 394 HG3 LYS 50 1HG LYS 50 -8.703 -9.663 21.127 395 HD2 LYS 50 2HD LYS 50 -8.936 -7.646 22.505 396 HD3 LYS 50 1HD LYS 50 -7.598 -7.503 21.365 397 HE2 LYS 50 2HE LYS 50 -9.030 -6.166 19.874 398 HE3 LYS 50 1HE LYS 50 -10.350 -6.296 21.039 399 HZ1 LYS 50 3HZ LYS 50 -7.716 -5.026 21.562 400 HZ2 LYS 50 1HZ LYS 50 -9.008 -5.111 22.648 401 HZ3 LYS 50 2HZ LYS 50 -9.154 -4.194 21.239 402 H ARG 51 H ARG 51 -7.161 -10.213 16.852 403 HA ARG 51 HA ARG 51 -8.549 -8.998 14.611 404 HE ARG 51 HE ARG 51 -4.509 -9.816 12.410 405 HB2 ARG 51 2HB ARG 51 -6.411 -9.133 13.428 406 HB3 ARG 51 1HB ARG 51 -6.234 -8.375 15.002 407 HG2 ARG 51 2HG ARG 51 -5.321 -10.476 15.897 408 HG3 ARG 51 1HG ARG 51 -5.473 -11.209 14.297 409 HD2 ARG 51 2HD ARG 51 -3.761 -8.828 15.034 410 HD3 ARG 51 1HD ARG 51 -3.191 -10.449 14.638 411 HH11 ARG 51 1HH1 ARG 51 -2.269 -7.908 14.237 412 HH12 ARG 51 2HH1 ARG 51 -1.713 -7.063 12.839 413 HH21 ARG 51 1HH2 ARG 51 -3.764 -8.704 10.648 414 HH22 ARG 51 2HH2 ARG 51 -2.519 -7.517 10.850 415 H HIS 52 H HIS 52 -9.291 -11.738 15.664 416 HA HIS 52 HA HIS 52 -9.169 -13.216 13.108 417 HD1 HIS 52 HD1 HIS 52 -7.143 -13.985 16.373 418 HD2 HIS 52 HD2 HIS 52 -8.290 -16.454 13.236 419 HE1 HIS 52 HE1 HIS 52 -5.131 -15.390 15.857 420 HE2 HIS 52 HE2 HIS 52 -5.947 -17.046 14.144 421 HB2 HIS 52 2HB HIS 52 -9.693 -14.061 15.951 422 HB3 HIS 52 1HB HIS 52 -10.263 -15.052 14.617 423 HA PRO 53 HA PRO 53 -13.554 -12.372 12.447 424 HB2 PRO 53 2HB PRO 53 -14.210 -14.540 10.931 425 HB3 PRO 53 1HB PRO 53 -13.291 -13.171 10.295 426 HG2 PRO 53 2HG PRO 53 -12.295 -15.821 11.288 427 HG3 PRO 53 1HG PRO 53 -11.818 -14.925 9.832 428 HD2 PRO 53 2HD PRO 53 -10.330 -14.899 12.089 429 HD3 PRO 53 1HD PRO 53 -10.441 -13.486 11.019 430 H ASP 54 H ASP 54 -12.386 -15.421 13.730 431 HA ASP 54 HA ASP 54 -14.964 -16.210 14.814 432 HB2 ASP 54 2HB ASP 54 -13.617 -18.116 15.775 433 HB3 ASP 54 1HB ASP 54 -13.558 -17.979 14.020 434 H ALA 55 H ALA 55 -12.780 -13.941 15.738 435 HA ALA 55 HA ALA 55 -12.038 -14.384 18.350 436 HB1 ALA 55 3HB ALA 55 -12.878 -11.722 17.202 437 HB2 ALA 55 1HB ALA 55 -11.292 -12.469 17.004 438 HB3 ALA 55 2HB ALA 55 -11.842 -11.981 18.607 439 H THR 56 H THR 56 -15.019 -12.648 17.360 440 HA THR 56 HA THR 56 -16.123 -12.134 19.818 441 HB THR 56 HB THR 56 -17.194 -11.301 17.837 442 HG1 THR 56 HG1 THR 56 -19.096 -13.099 18.961 443 HG21 THR 56 3HG2 THR 56 -16.761 -13.206 16.339 444 HG22 THR 56 1HG2 THR 56 -18.453 -12.706 16.292 445 HG23 THR 56 2HG2 THR 56 -17.985 -14.147 17.194 446 H SER 57 H SER 57 -16.516 -15.174 17.995 447 HA SER 57 HA SER 57 -18.181 -16.438 19.938 448 HG SER 57 HG SER 57 -19.009 -17.643 17.084 449 HB2 SER 57 2HB SER 57 -16.480 -17.731 17.782 450 HB3 SER 57 1HB SER 57 -17.846 -18.468 18.620 451 H LYS 58 H LYS 58 -14.722 -16.319 19.377 452 HA LYS 58 HA LYS 58 -14.030 -18.419 21.209 453 HB2 LYS 58 2HB LYS 58 -12.645 -17.623 19.232 454 HB3 LYS 58 1HB LYS 58 -12.245 -16.200 20.181 455 HG2 LYS 58 2HG LYS 58 -10.420 -17.582 20.509 456 HG3 LYS 58 1HG LYS 58 -11.396 -17.874 21.948 457 HD2 LYS 58 2HD LYS 58 -10.574 -19.977 21.091 458 HD3 LYS 58 1HD LYS 58 -12.323 -19.902 20.857 459 HE2 LYS 58 2HE LYS 58 -12.030 -19.335 18.523 460 HE3 LYS 58 1HE LYS 58 -10.282 -19.228 18.732 461 HZ1 LYS 58 3HZ LYS 58 -11.920 -21.683 19.019 462 HZ2 LYS 58 1HZ LYS 58 -10.250 -21.591 19.252 463 HZ3 LYS 58 2HZ LYS 58 -10.900 -21.315 17.720 464 H ILE 59 H ILE 59 -14.509 -14.962 21.457 465 HA ILE 59 HA ILE 59 -13.249 -14.719 24.049 466 HB ILE 59 HB ILE 59 -14.920 -12.745 22.474 467 HG12 ILE 59 2HG1 ILE 59 -11.927 -12.901 22.954 468 HG13 ILE 59 1HG1 ILE 59 -12.735 -13.350 21.458 469 HG21 ILE 59 1HG2 ILE 59 -14.082 -11.042 24.052 470 HG22 ILE 59 2HG2 ILE 59 -13.331 -12.315 25.014 471 HG23 ILE 59 3HG2 ILE 59 -15.087 -12.248 24.858 472 HD11 ILE 59 3HD1 ILE 59 -12.623 -10.598 22.666 473 HD12 ILE 59 1HD1 ILE 59 -13.484 -11.033 21.188 474 HD13 ILE 59 2HD1 ILE 59 -11.727 -11.175 21.260 475 H GLY 60 H GLY 60 -16.579 -14.763 22.803 476 HA2 GLY 60 2HA GLY 60 -18.573 -15.263 23.812 477 HA3 GLY 60 1HA GLY 60 -17.625 -16.222 24.931 478 HA PRO 61 HA PRO 61 -19.497 -13.344 27.818 479 HB2 PRO 61 2HB PRO 61 -18.677 -14.494 30.102 480 HB3 PRO 61 1HB PRO 61 -19.907 -15.237 29.070 481 HG2 PRO 61 2HG PRO 61 -16.963 -15.831 29.230 482 HG3 PRO 61 1HG PRO 61 -18.328 -16.970 29.237 483 HD2 PRO 61 2HD PRO 61 -16.896 -16.420 26.989 484 HD3 PRO 61 1HD PRO 61 -18.630 -16.801 26.937 485 H GLY 62 H GLY 62 -16.058 -13.950 27.622 486 HA2 GLY 62 2HA GLY 62 -15.027 -11.514 27.878 487 HA3 GLY 62 1HA GLY 62 -15.433 -11.840 29.555 488 H VAL 63 H VAL 63 -12.831 -11.292 28.752 489 HA VAL 63 HA VAL 63 -11.381 -13.789 28.438 490 HB VAL 63 HB VAL 63 -10.298 -10.991 28.845 491 HG11 VAL 63 1HG1 VAL 63 -8.200 -11.909 27.941 492 HG12 VAL 63 2HG1 VAL 63 -8.927 -13.518 27.909 493 HG13 VAL 63 3HG1 VAL 63 -8.668 -12.696 29.449 494 HG21 VAL 63 3HG2 VAL 63 -10.745 -12.557 26.300 495 HG22 VAL 63 1HG2 VAL 63 -9.909 -11.007 26.412 496 HG23 VAL 63 2HG2 VAL 63 -11.624 -11.115 26.811 497 H ARG 64 H ARG 64 -11.077 -15.070 30.165 498 HA ARG 64 HA ARG 64 -10.799 -13.909 32.834 499 HE ARG 64 HE ARG 64 -11.020 -17.287 36.458 500 HB2 ARG 64 2HB ARG 64 -12.260 -15.900 32.458 501 HB3 ARG 64 1HB ARG 64 -10.828 -16.833 32.033 502 HG2 ARG 64 2HG ARG 64 -9.921 -16.440 34.286 503 HG3 ARG 64 1HG ARG 64 -11.380 -15.540 34.705 504 HD2 ARG 64 2HD ARG 64 -12.730 -17.548 34.311 505 HD3 ARG 64 1HD ARG 64 -11.270 -18.447 33.889 506 HH11 ARG 64 1HH1 ARG 64 -12.549 -19.903 34.810 507 HH12 ARG 64 2HH1 ARG 64 -12.634 -20.885 36.229 508 HH21 ARG 64 1HH2 ARG 64 -11.149 -18.562 38.261 509 HH22 ARG 64 2HH2 ARG 64 -11.877 -20.127 38.154 510 H ASN 65 H ASN 65 -8.995 -16.403 30.993 511 HA ASN 65 HA ASN 65 -6.507 -15.070 31.210 512 HB2 ASN 65 2HB ASN 65 -5.325 -16.730 32.662 513 HB3 ASN 65 1HB ASN 65 -6.502 -15.753 33.526 514 HD21 ASN 65 1HD2 ASN 65 -8.152 -16.745 34.551 515 HD22 ASN 65 2HD2 ASN 65 -8.388 -18.454 34.583 516 H PHE 66 H PHE 66 -4.662 -16.915 30.836 517 HA PHE 66 HA PHE 66 -5.637 -18.764 28.744 518 HD1 PHE 66 HD1 PHE 66 -4.537 -15.037 28.798 519 HD2 PHE 66 HD2 PHE 66 -4.876 -17.925 25.682 520 HE1 PHE 66 HE1 PHE 66 -5.700 -13.385 27.393 521 HE2 PHE 66 HE2 PHE 66 -6.033 -16.271 24.275 522 HZ PHE 66 HZ PHE 66 -6.449 -14.001 25.131 523 HB2 PHE 66 2HB PHE 66 -3.101 -17.098 28.705 524 HB3 PHE 66 1HB PHE 66 -3.482 -18.358 27.541 525 H GLU 67 H GLU 67 -4.907 -20.844 28.914 526 HA GLU 67 HA GLU 67 -2.659 -21.375 30.759 527 HB2 GLU 67 2HB GLU 67 -4.797 -21.916 31.876 528 HB3 GLU 67 1HB GLU 67 -5.203 -23.009 30.560 529 HG2 GLU 67 2HG GLU 67 -3.327 -24.441 31.123 530 HG3 GLU 67 1HG GLU 67 -2.820 -23.319 32.384 531 H VAL 68 H VAL 68 -1.195 -22.895 30.119 532 HA VAL 68 HA VAL 68 -1.216 -23.553 27.306 533 HB VAL 68 HB VAL 68 0.847 -24.118 29.447 534 HG11 VAL 68 1HG1 VAL 68 2.389 -24.622 27.604 535 HG12 VAL 68 2HG1 VAL 68 1.072 -24.432 26.447 536 HG13 VAL 68 3HG1 VAL 68 1.030 -25.747 27.622 537 HG21 VAL 68 3HG2 VAL 68 2.087 -22.283 28.352 538 HG22 VAL 68 1HG2 VAL 68 0.549 -21.744 29.026 539 HG23 VAL 68 2HG2 VAL 68 0.708 -22.007 27.288 540 H ARG 69 H ARG 69 -1.486 -25.472 26.349 541 HA ARG 69 HA ARG 69 -1.502 -27.963 27.894 542 HE ARG 69 HE ARG 69 -5.706 -30.660 28.404 543 HB2 ARG 69 2HB ARG 69 -3.857 -26.961 27.793 544 HB3 ARG 69 1HB ARG 69 -3.802 -27.241 26.061 545 HG2 ARG 69 2HG ARG 69 -3.470 -29.670 26.525 546 HG3 ARG 69 1HG ARG 69 -3.710 -29.323 28.241 547 HD2 ARG 69 2HD ARG 69 -5.922 -28.249 27.552 548 HD3 ARG 69 1HD ARG 69 -5.677 -29.006 25.980 549 HH11 ARG 69 1HH1 ARG 69 -7.010 -29.871 25.323 550 HH12 ARG 69 2HH1 ARG 69 -8.194 -31.128 25.373 551 HH21 ARG 69 1HH2 ARG 69 -7.230 -32.267 28.460 552 HH22 ARG 69 2HH2 ARG 69 -8.317 -32.467 27.131 553 H SER 70 H SER 70 -1.218 -29.862 26.499 554 HA SER 70 HA SER 70 0.334 -29.237 24.140 555 HG SER 70 HG SER 70 -0.103 -32.998 25.669 556 HB2 SER 70 2HB SER 70 0.729 -31.685 24.017 557 HB3 SER 70 1HB SER 70 1.108 -31.024 25.605 558 H ALA 71 H ALA 71 -0.192 -29.537 22.028 559 HA ALA 71 HA ALA 71 -3.008 -30.204 21.452 560 HB1 ALA 71 3HB ALA 71 -1.057 -28.604 19.790 561 HB2 ALA 71 1HB ALA 71 -2.301 -27.935 20.846 562 HB3 ALA 71 2HB ALA 71 -2.763 -28.873 19.426 563 H ASP 72 H ASP 72 -0.017 -30.311 19.482 564 HA ASP 72 HA ASP 72 -0.926 -32.911 18.423 565 HB2 ASP 72 2HB ASP 72 1.034 -30.946 17.204 566 HB3 ASP 72 1HB ASP 72 0.443 -32.427 16.453 567 H TYR 73 H TYR 73 -0.028 -34.453 19.680 568 HA TYR 73 HA TYR 73 1.507 -35.881 20.536 569 HD1 TYR 73 HD1 TYR 73 2.066 -38.029 18.803 570 HD2 TYR 73 HD2 TYR 73 2.156 -34.393 16.587 571 HE1 TYR 73 HE1 TYR 73 0.904 -39.139 16.941 572 HE2 TYR 73 HE2 TYR 73 0.998 -35.494 14.721 573 HH TYR 73 HH TYR 73 -0.505 -38.527 15.029 574 HB2 TYR 73 2HB TYR 73 3.420 -34.576 18.587 575 HB3 TYR 73 1HB TYR 73 3.644 -36.133 19.377 576 H GLY 74 H GLY 74 3.906 -33.331 19.905 577 HA2 GLY 74 2HA GLY 74 4.242 -33.024 22.837 578 HA3 GLY 74 1HA GLY 74 5.595 -33.065 21.720 579 H THR 75 H THR 75 3.513 -31.400 19.954 580 HA THR 75 HA THR 75 4.711 -28.872 20.571 581 HB THR 75 HB THR 75 3.341 -27.933 18.767 582 HG1 THR 75 HG1 THR 75 2.188 -30.519 18.450 583 HG21 THR 75 3HG2 THR 75 5.391 -29.088 18.138 584 HG22 THR 75 1HG2 THR 75 4.148 -29.346 16.915 585 HG23 THR 75 2HG2 THR 75 4.529 -30.626 18.067 586 H GLN 76 H GLN 76 4.025 -27.315 21.856 587 HA GLN 76 HA GLN 76 1.692 -27.678 23.505 588 HB2 GLN 76 2HB GLN 76 3.540 -25.287 23.392 589 HB3 GLN 76 1HB GLN 76 2.504 -25.767 24.728 590 HG2 GLN 76 2HG GLN 76 3.891 -27.605 25.270 591 HG3 GLN 76 1HG GLN 76 4.782 -27.474 23.751 592 HE21 GLN 76 1HE2 GLN 76 4.317 -26.098 26.922 593 HE22 GLN 76 2HE2 GLN 76 5.735 -25.118 26.917 594 H CYS 77 H CYS 77 0.160 -25.823 23.912 595 HA CYS 77 HA CYS 77 -0.101 -23.781 21.885 596 HG CYS 77 HG CYS 77 -2.226 -23.255 19.952 597 HB2 CYS 77 2HB CYS 77 -1.233 -25.677 20.789 598 HB3 CYS 77 1HB CYS 77 -2.296 -25.848 22.181 599 H PHE 78 H PHE 78 -1.447 -22.066 22.504 600 HA PHE 78 HA PHE 78 -1.969 -21.877 25.349 601 HD1 PHE 78 HD2 PHE 78 -0.641 -19.628 26.372 602 HD2 PHE 78 HD1 PHE 78 -0.224 -19.773 22.133 603 HE1 PHE 78 HE2 PHE 78 1.725 -18.988 26.585 604 HE2 PHE 78 HE1 PHE 78 2.142 -19.133 22.342 605 HZ PHE 78 HZ PHE 78 3.120 -18.737 24.571 606 HB2 PHE 78 2HB PHE 78 -2.372 -19.872 23.112 607 HB3 PHE 78 1HB PHE 78 -2.612 -19.528 24.819 608 H TRP 79 H TRP 79 -3.845 -22.542 26.222 609 HA TRP 79 HA TRP 79 -6.279 -22.588 24.596 610 HD1 TRP 79 HD1 TRP 79 -4.029 -25.000 24.934 611 HE1 TRP 79 HE1 TRP 79 -4.686 -27.169 23.710 612 HE3 TRP 79 HE3 TRP 79 -8.960 -25.221 26.260 613 HZ2 TRP 79 HZ2 TRP 79 -6.987 -28.766 23.366 614 HZ3 TRP 79 HZ3 TRP 79 -10.318 -27.103 25.445 615 HH2 TRP 79 HH2 TRP 79 -9.352 -28.836 24.029 616 HB2 TRP 79 2HB TRP 79 -5.511 -23.844 27.215 617 HB3 TRP 79 1HB TRP 79 -7.210 -23.684 26.775 618 H ILE 80 H ILE 80 -8.009 -21.322 24.911 619 HA ILE 80 HA ILE 80 -7.564 -18.915 26.496 620 HB ILE 80 HB ILE 80 -9.610 -19.568 24.366 621 HG12 ILE 80 2HG1 ILE 80 -7.095 -17.877 24.283 622 HG13 ILE 80 1HG1 ILE 80 -7.302 -19.455 23.536 623 HG21 ILE 80 1HG2 ILE 80 -10.532 -17.905 25.854 624 HG22 ILE 80 2HG2 ILE 80 -10.074 -17.144 24.329 625 HG23 ILE 80 3HG2 ILE 80 -9.051 -16.946 25.753 626 HD11 ILE 80 3HD1 ILE 80 -7.463 -17.704 21.889 627 HD12 ILE 80 1HD1 ILE 80 -8.763 -16.934 22.795 628 HD13 ILE 80 2HD1 ILE 80 -9.017 -18.518 22.063 629 H LEU 81 H LEU 81 -8.287 -18.981 28.545 630 HA LEU 81 HA LEU 81 -10.657 -20.481 29.290 631 HG LEU 81 HG LEU 81 -8.289 -20.924 32.127 632 HB2 LEU 81 2HB LEU 81 -8.642 -18.868 30.846 633 HB3 LEU 81 1HB LEU 81 -10.125 -19.430 31.593 634 HD11 LEU 81 1HD1 LEU 81 -10.484 -21.913 31.952 635 HD12 LEU 81 2HD1 LEU 81 -9.270 -23.049 31.364 636 HD13 LEU 81 3HD1 LEU 81 -10.271 -22.157 30.217 637 HD21 LEU 81 3HD2 LEU 81 -7.177 -22.261 30.392 638 HD22 LEU 81 1HD2 LEU 81 -6.850 -20.537 30.213 639 HD23 LEU 81 2HD2 LEU 81 -8.011 -21.329 29.147 640 H ARG 82 H ARG 82 -12.632 -19.711 29.449 641 HA ARG 82 HA ARG 82 -13.110 -16.820 29.195 642 HE ARG 82 HE ARG 82 -11.776 -17.507 27.352 643 HB2 ARG 82 2HB ARG 82 -15.066 -19.119 28.940 644 HB3 ARG 82 1HB ARG 82 -15.377 -17.437 28.539 645 HG2 ARG 82 2HG ARG 82 -13.372 -19.206 27.139 646 HG3 ARG 82 1HG ARG 82 -14.993 -18.853 26.555 647 HD2 ARG 82 2HD ARG 82 -13.575 -17.398 25.379 648 HD3 ARG 82 1HD ARG 82 -14.337 -16.405 26.619 649 HH11 ARG 82 1HH1 ARG 82 -13.443 -14.842 25.964 650 HH12 ARG 82 2HH1 ARG 82 -12.121 -13.755 26.184 651 HH21 ARG 82 1HH2 ARG 82 -10.088 -16.113 27.652 652 HH22 ARG 82 2HH2 ARG 82 -10.224 -14.476 27.122 653 H THR 83 H THR 83 -14.688 -15.770 30.545 654 HA THR 83 HA THR 83 -14.418 -16.190 33.282 655 HB THR 83 HB THR 83 -16.382 -14.677 33.568 656 HG1 THR 83 HG1 THR 83 -17.682 -14.255 31.926 657 HG21 THR 83 3HG2 THR 83 -14.135 -13.740 33.180 658 HG22 THR 83 1HG2 THR 83 -15.393 -12.726 32.478 659 HG23 THR 83 2HG2 THR 83 -14.427 -13.774 31.440 660 H ASP 84 H ASP 84 -17.101 -17.223 31.175 661 HA ASP 84 HA ASP 84 -18.608 -18.439 33.249 662 HB2 ASP 84 2HB ASP 84 -18.748 -18.377 30.279 663 HB3 ASP 84 1HB ASP 84 -19.613 -19.675 31.100 664 H GLY 85 H GLY 85 -15.658 -19.394 32.511 665 HA2 GLY 85 2HA GLY 85 -14.526 -21.336 33.038 666 HA3 GLY 85 1HA GLY 85 -16.058 -22.038 33.530 667 H SER 86 H SER 86 -14.832 -20.846 30.399 668 HA SER 86 HA SER 86 -15.175 -23.565 29.291 669 HG SER 86 HG SER 86 -16.493 -22.278 26.188 670 HB2 SER 86 2HB SER 86 -17.034 -22.203 28.465 671 HB3 SER 86 1HB SER 86 -15.913 -20.953 27.925 672 H GLU 87 H GLU 87 -13.546 -24.272 27.942 673 HA GLU 87 HA GLU 87 -11.351 -22.375 27.427 674 HB2 GLU 87 2HB GLU 87 -9.715 -24.157 27.933 675 HB3 GLU 87 1HB GLU 87 -10.672 -23.691 29.328 676 HG2 GLU 87 2HG GLU 87 -11.283 -26.114 27.649 677 HG3 GLU 87 1HG GLU 87 -10.220 -26.153 29.051 678 H GLU 88 H GLU 88 -10.917 -22.193 25.364 679 HA GLU 88 HA GLU 88 -10.654 -24.593 23.714 680 HB2 GLU 88 2HB GLU 88 -12.936 -23.733 23.249 681 HB3 GLU 88 1HB GLU 88 -12.248 -22.176 22.803 682 HG2 GLU 88 2HG GLU 88 -11.115 -23.153 20.917 683 HG3 GLU 88 1HG GLU 88 -11.614 -24.771 21.404 684 H ARG 89 H ARG 89 -9.036 -24.423 22.154 685 HA ARG 89 HA ARG 89 -7.269 -22.101 22.515 686 HE ARG 89 HE ARG 89 -6.148 -28.068 20.581 687 HB2 ARG 89 2HB ARG 89 -5.512 -23.509 21.550 688 HB3 ARG 89 1HB ARG 89 -6.284 -24.302 22.918 689 HG2 ARG 89 2HG ARG 89 -7.521 -25.755 21.472 690 HG3 ARG 89 1HG ARG 89 -6.992 -24.867 20.043 691 HD2 ARG 89 2HD ARG 89 -4.681 -25.555 20.464 692 HD3 ARG 89 1HD ARG 89 -5.198 -26.419 21.913 693 HH11 ARG 89 1HH1 ARG 89 -4.841 -25.542 18.638 694 HH12 ARG 89 2HH1 ARG 89 -4.914 -26.469 17.183 695 HH21 ARG 89 1HH2 ARG 89 -6.239 -29.242 18.718 696 HH22 ARG 89 2HH2 ARG 89 -5.687 -28.544 17.235 697 H PHE 90 H PHE 90 -5.813 -21.780 20.453 698 HA PHE 90 HA PHE 90 -7.365 -21.928 17.969 699 HD1 PHE 90 HD1 PHE 90 -6.337 -19.653 21.081 700 HD2 PHE 90 HD2 PHE 90 -4.846 -18.320 17.315 701 HE1 PHE 90 HE1 PHE 90 -4.633 -18.305 22.234 702 HE2 PHE 90 HE2 PHE 90 -3.140 -16.974 18.469 703 HZ PHE 90 HZ PHE 90 -3.032 -16.965 20.929 704 HB2 PHE 90 2HB PHE 90 -6.769 -19.619 17.367 705 HB3 PHE 90 1HB PHE 90 -7.727 -19.659 18.840 706 H SER 91 H SER 91 -6.178 -22.928 16.466 707 HA SER 91 HA SER 91 -3.415 -23.489 16.828 708 HG SER 91 HG SER 91 -5.686 -25.690 15.280 709 HB2 SER 91 2HB SER 91 -5.184 -23.848 14.394 710 HB3 SER 91 1HB SER 91 -3.532 -24.454 14.516 711 H TYR 92 H TYR 92 -2.685 -21.278 17.139 712 HA TYR 92 HA TYR 92 -2.734 -19.251 15.242 713 HD1 TYR 92 HD1 TYR 92 -1.549 -21.071 18.796 714 HD2 TYR 92 HD2 TYR 92 1.387 -19.079 16.435 715 HE1 TYR 92 HE1 TYR 92 0.220 -22.358 19.915 716 HE2 TYR 92 HE2 TYR 92 3.159 -20.370 17.546 717 HH TYR 92 HH TYR 92 3.509 -21.573 19.665 718 HB2 TYR 92 2HB TYR 92 -0.858 -18.265 16.460 719 HB3 TYR 92 1HB TYR 92 -2.048 -18.918 17.576 720 H LYS 93 H LYS 93 -0.813 -22.127 15.269 721 HA LYS 93 HA LYS 93 1.240 -21.160 13.504 722 HB2 LYS 93 2HB LYS 93 2.007 -23.514 13.462 723 HB3 LYS 93 1HB LYS 93 1.800 -22.888 15.091 724 HG2 LYS 93 2HG LYS 93 -0.349 -24.068 15.269 725 HG3 LYS 93 1HG LYS 93 -0.124 -24.708 13.639 726 HD2 LYS 93 2HD LYS 93 1.908 -25.875 14.371 727 HD3 LYS 93 1HD LYS 93 1.710 -25.213 15.995 728 HE2 LYS 93 2HE LYS 93 -0.424 -26.409 16.219 729 HE3 LYS 93 1HE LYS 93 -0.227 -27.067 14.595 730 HZ1 LYS 93 3HZ LYS 93 1.575 -27.580 16.902 731 HZ2 LYS 93 1HZ LYS 93 1.779 -28.201 15.344 732 HZ3 LYS 93 2HZ LYS 93 0.444 -28.661 16.272 733 H LYS 94 H LYS 94 -1.946 -22.268 12.980 734 HA LYS 94 HA LYS 94 -1.335 -22.984 10.187 735 HB2 LYS 94 2HB LYS 94 -3.796 -23.512 11.862 736 HB3 LYS 94 1HB LYS 94 -3.708 -23.840 10.136 737 HG2 LYS 94 2HG LYS 94 -1.740 -25.329 10.617 738 HG3 LYS 94 1HG LYS 94 -2.103 -25.134 12.334 739 HD2 LYS 94 2HD LYS 94 -4.299 -26.118 12.020 740 HD3 LYS 94 1HD LYS 94 -4.048 -26.193 10.274 741 HE2 LYS 94 2HE LYS 94 -2.122 -27.723 10.676 742 HE3 LYS 94 1HE LYS 94 -2.531 -27.725 12.390 743 HZ1 LYS 94 3HZ LYS 94 -3.431 -29.652 11.259 744 HZ2 LYS 94 1HZ LYS 94 -4.290 -28.662 10.190 745 HZ3 LYS 94 2HZ LYS 94 -4.680 -28.671 11.835 746 H CYS 95 H CYS 95 -2.256 -20.312 11.920 747 HA CYS 95 HA CYS 95 -3.944 -19.195 9.791 748 HG CYS 95 HG CYS 95 -5.956 -19.602 11.509 749 HB2 CYS 95 2HB CYS 95 -3.102 -18.020 12.457 750 HB3 CYS 95 1HB CYS 95 -4.169 -17.228 11.301 751 H VAL 96 H VAL 96 -2.137 -19.287 8.244 752 HA VAL 96 HA VAL 96 -0.368 -16.953 8.443 753 HB VAL 96 HB VAL 96 0.729 -19.694 7.745 754 HG11 VAL 96 1HG1 VAL 96 1.878 -17.877 6.617 755 HG12 VAL 96 2HG1 VAL 96 2.916 -18.588 7.855 756 HG13 VAL 96 3HG1 VAL 96 2.114 -17.046 8.156 757 HG21 VAL 96 3HG2 VAL 96 1.079 -18.127 10.300 758 HG22 VAL 96 1HG2 VAL 96 1.960 -19.595 9.873 759 HG23 VAL 96 2HG2 VAL 96 0.213 -19.652 10.115 760 H LEU 97 H LEU 97 -0.155 -19.702 6.253 761 HA LEU 97 HA LEU 97 -1.272 -18.998 3.907 762 HG LEU 97 HG LEU 97 0.444 -16.228 2.102 763 HB2 LEU 97 2HB LEU 97 -0.118 -16.746 4.291 764 HB3 LEU 97 1HB LEU 97 1.409 -17.570 4.087 765 HD11 LEU 97 1HD1 LEU 97 1.299 -19.078 1.606 766 HD12 LEU 97 2HD1 LEU 97 2.380 -17.723 1.921 767 HD13 LEU 97 3HD1 LEU 97 1.387 -17.737 0.464 768 HD21 LEU 97 3HD2 LEU 97 -1.829 -17.124 2.215 769 HD22 LEU 97 1HD2 LEU 97 -1.220 -18.732 1.820 770 HD23 LEU 97 2HD2 LEU 97 -1.088 -17.424 0.644 771 H GLU 98 H GLU 98 -0.164 -20.170 2.060 772 HA GLU 98 HA GLU 98 0.744 -22.651 2.788 773 HB2 GLU 98 2HB GLU 98 1.285 -21.153 0.224 774 HB3 GLU 98 1HB GLU 98 1.647 -22.859 0.450 775 HG2 GLU 98 2HG GLU 98 -0.787 -23.200 0.992 776 HG3 GLU 98 1HG GLU 98 -1.057 -21.534 0.481 777 H HIS 99 H HIS 99 2.336 -22.755 4.289 778 HA HIS 99 HA HIS 99 5.073 -22.239 3.293 779 HD1 HIS 99 HD1 HIS 99 2.944 -19.699 5.067 780 HD2 HIS 99 HD2 HIS 99 7.088 -19.960 5.106 781 HE1 HIS 99 HE1 HIS 99 3.769 -17.354 4.717 782 HE2 HIS 99 HE2 HIS 99 6.271 -17.552 4.652 783 HB2 HIS 99 2HB HIS 99 3.957 -21.952 6.083 784 HB3 HIS 99 1HB HIS 99 5.677 -22.205 5.808 785 H HIS 100 H HIS 100 3.268 -24.580 3.042 786 HA HIS 100 HA HIS 100 4.226 -26.595 4.840 787 HD1 HIS 100 HD1 HIS 100 3.631 -27.818 0.738 788 HD2 HIS 100 HD2 HIS 100 0.642 -25.346 2.228 789 HE1 HIS 100 HE1 HIS 100 2.433 -26.921 -1.278 790 HE2 HIS 100 HE2 HIS 100 0.723 -25.326 -0.358 791 HB2 HIS 100 2HB HIS 100 2.980 -28.173 3.320 792 HB3 HIS 100 1HB HIS 100 2.010 -26.893 4.035 793 H HIS 101 H HIS 101 6.501 -26.099 4.411 794 HA HIS 101 HA HIS 101 7.558 -27.724 2.176 795 HD1 HIS 101 HD1 HIS 101 10.769 -26.336 4.728 796 HD2 HIS 101 HD2 HIS 101 7.698 -23.590 4.188 797 HE1 HIS 101 HE1 HIS 101 10.965 -24.727 6.639 798 HE2 HIS 101 HE2 HIS 101 8.966 -23.215 6.412 799 HB2 HIS 101 2HB HIS 101 9.643 -26.437 2.393 800 HB3 HIS 101 1HB HIS 101 8.280 -25.361 2.105 801 H HIS 102 H HIS 102 6.547 -28.713 4.739 802 HA HIS 102 HA HIS 102 8.802 -29.143 6.477 803 HD1 HIS 102 HD1 HIS 102 6.958 -32.555 7.471 804 HD2 HIS 102 HD2 HIS 102 7.861 -29.268 9.847 805 HE1 HIS 102 HE1 HIS 102 7.746 -33.504 9.655 806 HE2 HIS 102 HE2 HIS 102 8.113 -31.500 11.130 807 HB2 HIS 102 2HB HIS 102 6.587 -28.802 7.439 808 HB3 HIS 102 1HB HIS 102 5.988 -30.241 6.618 809 H HIS 103 H HIS 103 10.311 -30.414 5.599 810 HA HIS 103 HA HIS 103 9.598 -33.129 4.724 811 HD1 HIS 103 HD1 HIS 103 13.709 -32.791 6.039 812 HD2 HIS 103 HD2 HIS 103 12.264 -29.456 4.019 813 HE1 HIS 103 HE1 HIS 103 15.214 -30.898 6.701 814 HE2 HIS 103 HE2 HIS 103 14.222 -28.872 5.600 815 HB2 HIS 103 2HB HIS 103 11.997 -33.322 4.121 816 HB3 HIS 103 1HB HIS 103 11.229 -31.947 3.334 817 H HIS 104 H HIS 104 11.433 -34.781 5.586 818 HA HIS 104 HA HIS 104 11.200 -34.914 8.440 819 HD1 HIS 104 HD1 HIS 104 11.920 -39.108 6.517 820 HD2 HIS 104 HD2 HIS 104 9.266 -36.067 7.498 821 HE1 HIS 104 HE1 HIS 104 9.634 -40.099 6.239 822 HE2 HIS 104 HE2 HIS 104 8.049 -38.198 6.672 823 HB2 HIS 104 2HB HIS 104 12.881 -36.530 6.507 824 HB3 HIS 104 1HB HIS 104 12.747 -36.878 8.226 Start of MODEL 13 1 HA MET 1 HA MET 1 3.305 -10.265 -8.073 2 H1 MET 1 1H MET 1 1.280 -11.234 -8.851 3 H2 MET 1 2H MET 1 0.678 -11.376 -7.278 4 H3 MET 1 3H MET 1 2.024 -12.279 -7.751 5 HB2 MET 1 2HB MET 1 2.408 -8.123 -7.231 6 HB3 MET 1 1HB MET 1 1.490 -8.747 -8.593 7 HG2 MET 1 2HG MET 1 -0.098 -7.911 -7.089 8 HG3 MET 1 1HG MET 1 -0.153 -9.661 -6.899 9 HE1 MET 1 3HE MET 1 2.488 -7.065 -5.515 10 HE2 MET 1 1HE MET 1 1.820 -6.751 -3.912 11 HE3 MET 1 2HE MET 1 0.933 -6.246 -5.349 12 H ALA 2 H ALA 2 4.588 -9.400 -6.365 13 HA ALA 2 HA ALA 2 4.497 -11.100 -4.005 14 HB1 ALA 2 3HB ALA 2 6.602 -9.116 -4.872 15 HB2 ALA 2 1HB ALA 2 6.585 -10.832 -5.279 16 HB3 ALA 2 2HB ALA 2 6.763 -10.328 -3.599 17 H LYS 3 H LYS 3 3.803 -10.482 -2.064 18 HA LYS 3 HA LYS 3 4.136 -7.792 -1.083 19 HB2 LYS 3 2HB LYS 3 2.033 -7.597 -2.391 20 HB3 LYS 3 1HB LYS 3 1.322 -8.876 -1.417 21 HG2 LYS 3 2HG LYS 3 0.533 -6.737 -0.632 22 HG3 LYS 3 1HG LYS 3 1.578 -7.458 0.592 23 HD2 LYS 3 2HD LYS 3 2.107 -5.107 0.397 24 HD3 LYS 3 1HD LYS 3 3.456 -6.051 -0.239 25 HE2 LYS 3 2HE LYS 3 2.604 -5.675 -2.527 26 HE3 LYS 3 1HE LYS 3 1.306 -4.680 -1.865 27 HZ1 LYS 3 3HZ LYS 3 2.977 -3.159 -0.998 28 HZ2 LYS 3 1HZ LYS 3 3.130 -3.329 -2.672 29 HZ3 LYS 3 2HZ LYS 3 4.212 -4.112 -1.644 30 H ALA 4 H ALA 4 5.052 -8.303 0.814 31 HA ALA 4 HA ALA 4 3.510 -9.951 2.701 32 HB1 ALA 4 3HB ALA 4 5.204 -11.434 1.760 33 HB2 ALA 4 1HB ALA 4 5.541 -11.101 3.459 34 HB3 ALA 4 2HB ALA 4 6.471 -10.289 2.199 35 H GLN 5 H GLN 5 3.044 -8.606 4.334 36 HA GLN 5 HA GLN 5 4.841 -6.411 5.027 37 HB2 GLN 5 2HB GLN 5 2.220 -7.039 6.397 38 HB3 GLN 5 1HB GLN 5 3.059 -5.497 6.309 39 HG2 GLN 5 2HG GLN 5 1.329 -5.175 4.827 40 HG3 GLN 5 1HG GLN 5 2.622 -5.696 3.750 41 HE21 GLN 5 1HE2 GLN 5 0.849 -7.852 5.881 42 HE22 GLN 5 2HE2 GLN 5 0.032 -8.713 4.628 43 HA PRO 6 HA PRO 6 6.645 -8.330 8.658 44 HB2 PRO 6 2HB PRO 6 6.421 -6.236 10.474 45 HB3 PRO 6 1HB PRO 6 7.730 -6.423 9.304 46 HG2 PRO 6 2HG PRO 6 5.258 -4.738 9.131 47 HG3 PRO 6 1HG PRO 6 6.917 -4.353 8.628 48 HD2 PRO 6 2HD PRO 6 5.045 -5.045 6.837 49 HD3 PRO 6 1HD PRO 6 6.732 -5.572 6.651 50 H ILE 7 H ILE 7 5.768 -9.687 10.142 51 HA ILE 7 HA ILE 7 2.954 -9.726 10.558 52 HB ILE 7 HB ILE 7 5.141 -11.320 11.926 53 HG12 ILE 7 2HG1 ILE 7 4.154 -13.191 10.491 54 HG13 ILE 7 1HG1 ILE 7 3.278 -11.943 9.616 55 HG21 ILE 7 1HG2 ILE 7 3.198 -11.221 13.378 56 HG22 ILE 7 2HG2 ILE 7 3.358 -12.834 12.688 57 HG23 ILE 7 3HG2 ILE 7 2.148 -11.720 12.050 58 HD11 ILE 7 3HD1 ILE 7 5.312 -12.669 8.472 59 HD12 ILE 7 1HD1 ILE 7 6.274 -12.123 9.844 60 HD13 ILE 7 2HD1 ILE 7 5.359 -10.956 8.886 61 H GLU 8 H GLU 8 2.329 -7.815 11.548 62 HA GLU 8 HA GLU 8 3.438 -7.213 14.203 63 HB2 GLU 8 2HB GLU 8 3.460 -5.431 12.460 64 HB3 GLU 8 1HB GLU 8 1.705 -5.477 12.425 65 HG2 GLU 8 2HG GLU 8 3.085 -4.956 15.024 66 HG3 GLU 8 1HG GLU 8 2.999 -3.669 13.826 67 H ILE 9 H ILE 9 2.391 -8.143 15.803 68 HA ILE 9 HA ILE 9 -0.568 -8.107 15.827 69 HB ILE 9 HB ILE 9 1.235 -10.268 16.957 70 HG12 ILE 9 2HG1 ILE 9 -0.711 -10.338 14.627 71 HG13 ILE 9 1HG1 ILE 9 1.043 -10.368 14.499 72 HG21 ILE 9 1HG2 ILE 9 -0.839 -11.455 17.517 73 HG22 ILE 9 2HG2 ILE 9 -1.783 -10.077 16.950 74 HG23 ILE 9 3HG2 ILE 9 -0.735 -9.909 18.359 75 HD11 ILE 9 3HD1 ILE 9 1.089 -12.525 15.651 76 HD12 ILE 9 1HD1 ILE 9 0.107 -12.578 14.187 77 HD13 ILE 9 2HD1 ILE 9 -0.672 -12.494 15.766 78 H ALA 10 H ALA 10 -1.353 -6.883 17.432 79 HA ALA 10 HA ALA 10 -1.620 -5.779 19.401 80 HB1 ALA 10 3HB ALA 10 -0.904 -6.874 21.447 81 HB2 ALA 10 1HB ALA 10 0.195 -7.913 20.536 82 HB3 ALA 10 2HB ALA 10 -1.549 -8.065 20.317 83 H GLY 11 H GLY 11 0.645 -5.034 17.634 84 HA2 GLY 11 2HA GLY 11 2.064 -3.162 17.818 85 HA3 GLY 11 1HA GLY 11 2.100 -3.374 19.560 86 H HIS 12 H HIS 12 2.625 -6.370 18.296 87 HA HIS 12 HA HIS 12 5.554 -6.086 18.530 88 HD1 HIS 12 HD1 HIS 12 6.145 -7.978 21.459 89 HD2 HIS 12 HD2 HIS 12 2.149 -7.279 20.557 90 HE1 HIS 12 HE1 HIS 12 5.025 -7.542 23.659 91 HE2 HIS 12 HE2 HIS 12 2.588 -7.285 23.105 92 HB2 HIS 12 2HB HIS 12 3.917 -8.637 18.653 93 HB3 HIS 12 1HB HIS 12 5.619 -8.453 19.056 94 H GLU 13 H GLU 13 6.364 -5.695 16.487 95 HA GLU 13 HA GLU 13 5.232 -7.118 14.204 96 HB2 GLU 13 2HB GLU 13 6.614 -5.718 12.801 97 HB3 GLU 13 1HB GLU 13 5.784 -4.718 13.983 98 HG2 GLU 13 2HG GLU 13 7.792 -4.500 15.291 99 HG3 GLU 13 1HG GLU 13 8.642 -5.637 14.245 100 H PHE 14 H PHE 14 6.227 -8.663 13.004 101 HA PHE 14 HA PHE 14 8.910 -9.569 13.837 102 HD1 PHE 14 HD1 PHE 14 9.039 -11.608 15.770 103 HD2 PHE 14 HD2 PHE 14 4.979 -10.892 14.698 104 HE1 PHE 14 HE1 PHE 14 8.390 -11.768 18.135 105 HE2 PHE 14 HE2 PHE 14 4.325 -11.048 17.065 106 HZ PHE 14 HZ PHE 14 6.030 -11.487 18.785 107 HB2 PHE 14 2HB PHE 14 6.584 -11.334 13.013 108 HB3 PHE 14 1HB PHE 14 8.203 -11.894 13.424 109 H ALA 15 H ALA 15 10.362 -9.547 12.243 110 HA ALA 15 HA ALA 15 9.757 -8.739 9.614 111 HB1 ALA 15 3HB ALA 15 12.268 -10.068 10.643 112 HB2 ALA 15 1HB ALA 15 11.929 -8.337 10.651 113 HB3 ALA 15 2HB ALA 15 12.113 -9.193 9.119 114 H ARG 16 H ARG 16 9.806 -11.890 11.035 115 HA ARG 16 HA ARG 16 9.010 -13.079 8.495 116 HE ARG 16 HE ARG 16 11.048 -17.396 6.976 117 HB2 ARG 16 2HB ARG 16 11.502 -13.330 8.674 118 HB3 ARG 16 1HB ARG 16 11.263 -14.261 10.146 119 HG2 ARG 16 2HG ARG 16 10.109 -15.990 8.920 120 HG3 ARG 16 1HG ARG 16 10.173 -15.028 7.442 121 HD2 ARG 16 2HD ARG 16 12.658 -15.115 7.557 122 HD3 ARG 16 1HD ARG 16 12.522 -16.194 8.945 123 HH11 ARG 16 1HH1 ARG 16 14.302 -16.298 7.246 124 HH12 ARG 16 2HH1 ARG 16 14.907 -17.514 6.176 125 HH21 ARG 16 1HH2 ARG 16 11.859 -18.949 5.598 126 HH22 ARG 16 2HH2 ARG 16 13.559 -18.980 5.265 127 H LYS 17 H LYS 17 7.650 -14.866 8.735 128 HA LYS 17 HA LYS 17 6.090 -14.978 11.052 129 HB2 LYS 17 2HB LYS 17 5.409 -15.664 8.729 130 HB3 LYS 17 1HB LYS 17 6.330 -17.142 8.944 131 HG2 LYS 17 2HG LYS 17 4.159 -16.425 10.882 132 HG3 LYS 17 1HG LYS 17 3.758 -17.145 9.325 133 HD2 LYS 17 2HD LYS 17 5.586 -18.353 11.413 134 HD3 LYS 17 1HD LYS 17 3.923 -18.841 11.087 135 HE2 LYS 17 2HE LYS 17 4.588 -19.436 8.777 136 HE3 LYS 17 1HE LYS 17 6.257 -19.035 9.180 137 HZ1 LYS 17 3HZ LYS 17 5.904 -21.398 9.356 138 HZ2 LYS 17 1HZ LYS 17 4.612 -21.171 10.426 139 HZ3 LYS 17 2HZ LYS 17 6.182 -20.766 10.896 140 H ALA 18 H ALA 18 8.747 -17.096 10.006 141 HA ALA 18 HA ALA 18 8.644 -19.006 12.043 142 HB1 ALA 18 3HB ALA 18 11.090 -17.933 10.633 143 HB2 ALA 18 1HB ALA 18 10.048 -19.233 10.055 144 HB3 ALA 18 2HB ALA 18 10.993 -19.450 11.527 145 H ASP 19 H ASP 19 9.697 -15.693 12.189 146 HA ASP 19 HA ASP 19 11.191 -15.956 14.635 147 HB2 ASP 19 2HB ASP 19 11.571 -14.168 12.905 148 HB3 ASP 19 1HB ASP 19 10.048 -13.439 13.394 149 H ALA 20 H ALA 20 7.898 -15.070 13.739 150 HA ALA 20 HA ALA 20 6.980 -14.159 16.241 151 HB1 ALA 20 3HB ALA 20 5.380 -15.543 14.081 152 HB2 ALA 20 1HB ALA 20 5.771 -13.821 14.113 153 HB3 ALA 20 2HB ALA 20 4.745 -14.516 15.367 154 H LEU 21 H LEU 21 6.899 -17.410 14.776 155 HA LEU 21 HA LEU 21 5.611 -18.796 16.827 156 HG LEU 21 HG LEU 21 6.049 -19.026 13.620 157 HB2 LEU 21 2HB LEU 21 7.843 -19.812 15.054 158 HB3 LEU 21 1HB LEU 21 6.726 -20.811 15.964 159 HD11 LEU 21 1HD1 LEU 21 7.141 -21.105 12.990 160 HD12 LEU 21 2HD1 LEU 21 5.439 -21.135 12.530 161 HD13 LEU 21 3HD1 LEU 21 5.983 -22.027 13.952 162 HD21 LEU 21 3HD2 LEU 21 4.241 -18.950 15.255 163 HD22 LEU 21 1HD2 LEU 21 4.208 -20.714 15.321 164 HD23 LEU 21 2HD2 LEU 21 3.761 -19.876 13.835 165 H ALA 22 H ALA 22 9.058 -18.061 16.434 166 HA ALA 22 HA ALA 22 10.078 -19.401 18.662 167 HB1 ALA 22 3HB ALA 22 11.486 -18.415 16.916 168 HB2 ALA 22 1HB ALA 22 11.977 -17.866 18.519 169 HB3 ALA 22 2HB ALA 22 11.048 -16.798 17.466 170 H PHE 23 H PHE 23 8.962 -16.009 18.425 171 HA PHE 23 HA PHE 23 9.316 -15.248 21.083 172 HD1 PHE 23 HD1 PHE 23 9.117 -12.548 21.690 173 HD2 PHE 23 HD2 PHE 23 5.287 -13.758 20.263 174 HE1 PHE 23 HE1 PHE 23 8.038 -11.083 23.348 175 HE2 PHE 23 HE2 PHE 23 4.207 -12.291 21.914 176 HZ PHE 23 HZ PHE 23 5.581 -10.952 23.460 177 HB2 PHE 23 2HB PHE 23 8.760 -13.610 19.399 178 HB3 PHE 23 1HB PHE 23 7.217 -14.386 19.076 179 H MET 24 H MET 24 6.426 -16.700 19.575 180 HA MET 24 HA MET 24 4.801 -16.799 21.849 181 HB2 MET 24 2HB MET 24 4.889 -18.722 19.515 182 HB3 MET 24 1HB MET 24 3.581 -18.616 20.684 183 HG2 MET 24 2HG MET 24 3.132 -16.317 19.969 184 HG3 MET 24 1HG MET 24 4.432 -16.440 18.783 185 HE1 MET 24 3HE MET 24 1.507 -15.548 17.967 186 HE2 MET 24 1HE MET 24 1.259 -16.500 16.503 187 HE3 MET 24 2HE MET 24 2.822 -15.742 16.808 188 H LYS 25 H LYS 25 7.210 -19.125 20.666 189 HA LYS 25 HA LYS 25 6.763 -21.123 22.615 190 HB2 LYS 25 2HB LYS 25 8.096 -21.292 20.430 191 HB3 LYS 25 1HB LYS 25 9.425 -20.543 21.296 192 HG2 LYS 25 2HG LYS 25 8.121 -23.083 22.254 193 HG3 LYS 25 1HG LYS 25 9.427 -23.085 21.076 194 HD2 LYS 25 2HD LYS 25 9.606 -21.884 23.846 195 HD3 LYS 25 1HD LYS 25 10.201 -23.482 23.401 196 HE2 LYS 25 2HE LYS 25 11.147 -20.861 22.232 197 HE3 LYS 25 1HE LYS 25 12.004 -21.816 23.442 198 HZ1 LYS 25 3HZ LYS 25 11.401 -22.621 20.648 199 HZ2 LYS 25 1HZ LYS 25 12.088 -23.641 21.805 200 HZ3 LYS 25 2HZ LYS 25 12.922 -22.264 21.297 201 H VAL 26 H VAL 26 9.033 -18.379 22.530 202 HA VAL 26 HA VAL 26 10.402 -18.860 24.905 203 HB VAL 26 HB VAL 26 9.701 -16.192 23.655 204 HG11 VAL 26 1HG1 VAL 26 10.303 -15.862 25.990 205 HG12 VAL 26 2HG1 VAL 26 11.599 -15.287 24.944 206 HG13 VAL 26 3HG1 VAL 26 11.760 -16.833 25.776 207 HG21 VAL 26 3HG2 VAL 26 11.961 -16.296 22.713 208 HG22 VAL 26 1HG2 VAL 26 10.989 -17.669 22.185 209 HG23 VAL 26 2HG2 VAL 26 12.202 -17.882 23.447 210 H MET 27 H MET 27 7.487 -16.787 24.485 211 HA MET 27 HA MET 27 7.231 -16.297 27.277 212 HB2 MET 27 2HB MET 27 5.086 -15.302 26.780 213 HB3 MET 27 1HB MET 27 6.264 -14.800 25.579 214 HG2 MET 27 2HG MET 27 5.331 -16.429 23.996 215 HG3 MET 27 1HG MET 27 4.137 -16.904 25.207 216 HE1 MET 27 3HE MET 27 3.157 -16.053 22.367 217 HE2 MET 27 1HE MET 27 1.853 -14.931 22.756 218 HE3 MET 27 2HE MET 27 2.057 -16.409 23.698 219 H LEU 28 H LEU 28 6.057 -18.851 25.195 220 HA LEU 28 HA LEU 28 4.242 -20.034 27.046 221 HG LEU 28 HG LEU 28 4.697 -22.993 26.285 222 HB2 LEU 28 2HB LEU 28 4.242 -20.505 24.621 223 HB3 LEU 28 1HB LEU 28 5.789 -21.308 24.781 224 HD11 LEU 28 1HD1 LEU 28 2.249 -23.139 26.279 225 HD12 LEU 28 2HD1 LEU 28 2.160 -21.610 25.408 226 HD13 LEU 28 3HD1 LEU 28 2.813 -21.655 27.047 227 HD21 LEU 28 3HD2 LEU 28 3.513 -22.743 23.517 228 HD22 LEU 28 1HD2 LEU 28 3.580 -24.215 24.488 229 HD23 LEU 28 2HD2 LEU 28 5.070 -23.468 23.914 230 H ASN 29 H ASN 29 7.691 -19.992 26.824 231 HA ASN 29 HA ASN 29 7.977 -22.135 28.805 232 HB2 ASN 29 2HB ASN 29 10.011 -20.465 27.314 233 HB3 ASN 29 1HB ASN 29 10.451 -21.581 28.601 234 HD21 ASN 29 1HD2 ASN 29 7.895 -22.160 26.254 235 HD22 ASN 29 2HD2 ASN 29 8.688 -23.472 25.467 236 H ARG 30 H ARG 30 8.139 -18.644 28.539 237 HA ARG 30 HA ARG 30 9.120 -18.000 31.088 238 HE ARG 30 HE ARG 30 8.385 -13.454 32.599 239 HB2 ARG 30 2HB ARG 30 8.860 -16.312 29.354 240 HB3 ARG 30 1HB ARG 30 7.120 -16.553 29.331 241 HG2 ARG 30 2HG ARG 30 7.705 -14.503 30.494 242 HG3 ARG 30 1HG ARG 30 6.949 -15.656 31.593 243 HD2 ARG 30 2HD ARG 30 9.135 -16.269 32.489 244 HD3 ARG 30 1HD ARG 30 9.926 -15.181 31.348 245 HH11 ARG 30 1HH1 ARG 30 10.188 -16.044 33.964 246 HH12 ARG 30 2HH1 ARG 30 10.466 -15.216 35.455 247 HH21 ARG 30 1HH2 ARG 30 8.745 -12.394 34.503 248 HH22 ARG 30 2HH2 ARG 30 9.672 -13.158 35.752 249 H TYR 31 H TYR 31 5.848 -18.735 29.970 250 HA TYR 31 HA TYR 31 4.902 -18.885 32.744 251 HD1 TYR 31 HD1 TYR 31 2.419 -17.414 33.254 252 HD2 TYR 31 HD2 TYR 31 4.049 -16.810 29.365 253 HE1 TYR 31 HE1 TYR 31 2.070 -14.993 33.488 254 HE2 TYR 31 HE2 TYR 31 3.704 -14.388 29.593 255 HH TYR 31 HH TYR 31 2.482 -12.797 30.827 256 HB2 TYR 31 2HB TYR 31 3.435 -19.025 30.102 257 HB3 TYR 31 1HB TYR 31 2.659 -19.280 31.662 258 H ARG 32 H ARG 32 5.115 -20.757 33.750 259 HA ARG 32 HA ARG 32 5.914 -23.167 32.506 260 HE ARG 32 HE ARG 32 5.130 -21.536 36.695 261 HB2 ARG 32 2HB ARG 32 4.735 -22.697 35.260 262 HB3 ARG 32 1HB ARG 32 5.544 -24.172 34.750 263 HG2 ARG 32 2HG ARG 32 7.639 -23.110 34.622 264 HG3 ARG 32 1HG ARG 32 6.919 -21.499 34.681 265 HD2 ARG 32 2HD ARG 32 6.910 -23.519 36.929 266 HD3 ARG 32 1HD ARG 32 7.963 -22.108 36.816 267 HH11 ARG 32 1HH1 ARG 32 7.860 -21.919 38.767 268 HH12 ARG 32 2HH1 ARG 32 7.195 -20.904 40.001 269 HH21 ARG 32 1HH2 ARG 32 4.297 -20.238 38.277 270 HH22 ARG 32 2HH2 ARG 32 5.214 -19.959 39.724 271 HA PRO 33 HA PRO 33 2.138 -25.177 31.284 272 HB2 PRO 33 2HB PRO 33 2.483 -27.753 32.168 273 HB3 PRO 33 1HB PRO 33 3.302 -27.078 30.755 274 HG2 PRO 33 2HG PRO 33 4.319 -27.391 33.559 275 HG3 PRO 33 1HG PRO 33 5.139 -27.748 32.026 276 HD2 PRO 33 2HD PRO 33 5.639 -25.494 33.394 277 HD3 PRO 33 1HD PRO 33 5.618 -25.514 31.619 278 H GLY 34 H GLY 34 2.281 -24.039 34.183 279 HA2 GLY 34 2HA GLY 34 -0.374 -25.022 34.865 280 HA3 GLY 34 1HA GLY 34 0.871 -25.233 36.087 281 H ASP 35 H ASP 35 0.953 -22.464 33.980 282 HA ASP 35 HA ASP 35 0.124 -20.751 36.241 283 HB2 ASP 35 2HB ASP 35 2.322 -20.371 34.207 284 HB3 ASP 35 1HB ASP 35 1.690 -19.031 35.161 285 H ILE 36 H ILE 36 -0.697 -18.611 35.660 286 HA ILE 36 HA ILE 36 -2.483 -18.758 33.337 287 HB ILE 36 HB ILE 36 -2.520 -16.856 35.698 288 HG12 ILE 36 2HG1 ILE 36 -3.060 -19.145 36.375 289 HG13 ILE 36 1HG1 ILE 36 -4.505 -18.143 36.428 290 HG21 ILE 36 1HG2 ILE 36 -3.506 -15.811 33.747 291 HG22 ILE 36 2HG2 ILE 36 -4.774 -16.237 34.895 292 HG23 ILE 36 3HG2 ILE 36 -4.515 -17.229 33.459 293 HD11 ILE 36 3HD1 ILE 36 -3.788 -20.093 34.249 294 HD12 ILE 36 1HD1 ILE 36 -5.238 -19.089 34.301 295 HD13 ILE 36 2HD1 ILE 36 -4.984 -20.337 35.521 296 H VAL 37 H VAL 37 -2.310 -17.417 31.623 297 HA VAL 37 HA VAL 37 0.045 -15.832 31.270 298 HB VAL 37 HB VAL 37 -2.424 -15.987 29.519 299 HG11 VAL 37 1HG1 VAL 37 -0.958 -15.205 27.722 300 HG12 VAL 37 2HG1 VAL 37 0.377 -15.057 28.865 301 HG13 VAL 37 3HG1 VAL 37 -1.047 -14.028 29.032 302 HG21 VAL 37 3HG2 VAL 37 -1.449 -18.195 29.853 303 HG22 VAL 37 1HG2 VAL 37 0.141 -17.584 29.395 304 HG23 VAL 37 2HG2 VAL 37 -1.161 -17.637 28.205 305 H SER 38 H SER 38 0.335 -13.692 31.635 306 HA SER 38 HA SER 38 -1.686 -12.191 32.996 307 HG SER 38 HG SER 38 0.143 -10.110 34.245 308 HB2 SER 38 2HB SER 38 0.734 -11.981 33.520 309 HB3 SER 38 1HB SER 38 0.990 -11.228 31.946 310 H THR 39 H THR 39 -1.752 -9.686 32.266 311 HA THR 39 HA THR 39 -3.633 -9.678 30.185 312 HB THR 39 HB THR 39 -2.172 -7.305 31.371 313 HG1 THR 39 HG1 THR 39 -3.571 -7.438 32.977 314 HG21 THR 39 3HG2 THR 39 -4.134 -6.005 30.641 315 HG22 THR 39 1HG2 THR 39 -4.784 -7.440 29.849 316 HG23 THR 39 2HG2 THR 39 -3.283 -6.717 29.269 317 H VAL 40 H VAL 40 -0.268 -8.446 30.155 318 HA VAL 40 HA VAL 40 -0.311 -7.352 27.571 319 HB VAL 40 HB VAL 40 2.062 -8.540 29.035 320 HG11 VAL 40 1HG1 VAL 40 1.959 -6.629 26.692 321 HG12 VAL 40 2HG1 VAL 40 2.562 -8.287 26.672 322 HG13 VAL 40 3HG1 VAL 40 3.416 -7.052 27.595 323 HG21 VAL 40 3HG2 VAL 40 1.016 -5.706 28.947 324 HG22 VAL 40 1HG2 VAL 40 2.519 -6.220 29.716 325 HG23 VAL 40 2HG2 VAL 40 0.972 -6.795 30.333 326 H ASP 41 H ASP 41 1.127 -10.486 28.533 327 HA ASP 41 HA ASP 41 1.569 -11.450 25.927 328 HB2 ASP 41 2HB ASP 41 1.018 -13.135 28.382 329 HB3 ASP 41 1HB ASP 41 1.968 -13.584 26.966 330 H GLY 42 H GLY 42 -1.219 -11.772 28.092 331 HA2 GLY 42 2HA GLY 42 -2.749 -13.564 26.551 332 HA3 GLY 42 1HA GLY 42 -3.390 -12.412 27.712 333 H ALA 43 H ALA 43 -2.650 -10.008 26.509 334 HA ALA 43 HA ALA 43 -4.691 -9.555 24.650 335 HB1 ALA 43 3HB ALA 43 -2.183 -7.931 25.094 336 HB2 ALA 43 1HB ALA 43 -3.696 -7.769 25.986 337 HB3 ALA 43 2HB ALA 43 -3.639 -7.375 24.267 338 H PHE 44 H PHE 44 -1.240 -10.209 24.148 339 HA PHE 44 HA PHE 44 -1.135 -9.952 21.361 340 HD1 PHE 44 HD2 PHE 44 1.658 -9.631 20.522 341 HD2 PHE 44 HD1 PHE 44 0.784 -13.662 21.586 342 HE1 PHE 44 HE2 PHE 44 2.925 -10.421 18.566 343 HE2 PHE 44 HE1 PHE 44 2.048 -14.455 19.633 344 HZ PHE 44 HZ PHE 44 3.121 -12.834 18.118 345 HB2 PHE 44 2HB PHE 44 0.864 -10.231 22.776 346 HB3 PHE 44 1HB PHE 44 0.385 -11.882 23.144 347 H LEU 45 H LEU 45 -2.067 -12.696 23.387 348 HA LEU 45 HA LEU 45 -2.552 -14.541 21.284 349 HG LEU 45 HG LEU 45 -1.191 -14.703 24.003 350 HB2 LEU 45 2HB LEU 45 -3.683 -14.416 24.087 351 HB3 LEU 45 1HB LEU 45 -3.834 -15.792 23.011 352 HD11 LEU 45 1HD1 LEU 45 -2.555 -15.606 25.847 353 HD12 LEU 45 2HD1 LEU 45 -1.125 -16.585 25.524 354 HD13 LEU 45 3HD1 LEU 45 -2.707 -17.130 24.968 355 HD21 LEU 45 3HD2 LEU 45 -1.890 -17.267 22.563 356 HD22 LEU 45 1HD2 LEU 45 -0.291 -16.823 23.162 357 HD23 LEU 45 2HD2 LEU 45 -1.039 -15.886 21.869 358 H VAL 46 H VAL 46 -4.673 -12.279 23.035 359 HA VAL 46 HA VAL 46 -7.118 -12.981 21.881 360 HB VAL 46 HB VAL 46 -6.204 -10.216 22.728 361 HG11 VAL 46 1HG1 VAL 46 -8.175 -10.085 21.297 362 HG12 VAL 46 2HG1 VAL 46 -8.596 -9.700 22.966 363 HG13 VAL 46 3HG1 VAL 46 -9.001 -11.281 22.298 364 HG21 VAL 46 3HG2 VAL 46 -7.332 -10.699 24.845 365 HG22 VAL 46 1HG2 VAL 46 -6.044 -11.862 24.536 366 HG23 VAL 46 2HG2 VAL 46 -7.727 -12.322 24.275 367 H GLU 47 H GLU 47 -4.746 -10.553 20.766 368 HA GLU 47 HA GLU 47 -6.130 -9.835 18.400 369 HB2 GLU 47 2HB GLU 47 -3.151 -9.732 18.930 370 HB3 GLU 47 1HB GLU 47 -4.008 -8.850 17.674 371 HG2 GLU 47 2HG GLU 47 -4.312 -8.472 20.650 372 HG3 GLU 47 1HG GLU 47 -3.466 -7.400 19.537 373 H ALA 48 H ALA 48 -3.553 -12.203 19.022 374 HA ALA 48 HA ALA 48 -3.259 -13.188 16.403 375 HB1 ALA 48 3HB ALA 48 -2.238 -15.156 17.431 376 HB2 ALA 48 1HB ALA 48 -2.874 -14.678 19.006 377 HB3 ALA 48 2HB ALA 48 -1.665 -13.677 18.201 378 H LEU 49 H LEU 49 -5.716 -13.763 18.795 379 HA LEU 49 HA LEU 49 -6.894 -16.018 17.431 380 HG LEU 49 HG LEU 49 -9.829 -15.407 18.560 381 HB2 LEU 49 2HB LEU 49 -7.111 -15.778 19.847 382 HB3 LEU 49 1HB LEU 49 -7.938 -14.244 19.645 383 HD11 LEU 49 1HD1 LEU 49 -9.964 -17.845 18.598 384 HD12 LEU 49 2HD1 LEU 49 -8.316 -17.935 19.221 385 HD13 LEU 49 3HD1 LEU 49 -8.615 -17.297 17.604 386 HD21 LEU 49 3HD2 LEU 49 -10.681 -16.542 20.565 387 HD22 LEU 49 1HD2 LEU 49 -9.908 -15.006 20.956 388 HD23 LEU 49 2HD2 LEU 49 -9.059 -16.523 21.259 389 H LYS 50 H LYS 50 -7.703 -12.569 17.830 390 HA LYS 50 HA LYS 50 -10.120 -12.456 16.482 391 HB2 LYS 50 2HB LYS 50 -7.925 -10.403 16.751 392 HB3 LYS 50 1HB LYS 50 -9.469 -10.038 15.992 393 HG2 LYS 50 2HG LYS 50 -10.639 -10.533 18.058 394 HG3 LYS 50 1HG LYS 50 -9.120 -11.000 18.831 395 HD2 LYS 50 2HD LYS 50 -8.261 -8.739 18.588 396 HD3 LYS 50 1HD LYS 50 -9.709 -8.254 17.704 397 HE2 LYS 50 2HE LYS 50 -9.666 -9.220 20.563 398 HE3 LYS 50 1HE LYS 50 -9.723 -7.529 20.068 399 HZ1 LYS 50 3HZ LYS 50 -11.837 -7.919 19.015 400 HZ2 LYS 50 1HZ LYS 50 -11.915 -8.421 20.625 401 HZ3 LYS 50 2HZ LYS 50 -11.778 -9.565 19.391 402 H ARG 51 H ARG 51 -6.916 -12.680 15.094 403 HA ARG 51 HA ARG 51 -7.594 -11.691 12.511 404 HE ARG 51 HE ARG 51 -2.849 -12.256 12.157 405 HB2 ARG 51 2HB ARG 51 -5.422 -12.410 11.825 406 HB3 ARG 51 1HB ARG 51 -5.274 -11.821 13.476 407 HG2 ARG 51 2HG ARG 51 -5.442 -14.223 14.230 408 HG3 ARG 51 1HG ARG 51 -5.291 -14.679 12.533 409 HD2 ARG 51 2HD ARG 51 -3.281 -13.221 14.240 410 HD3 ARG 51 1HD ARG 51 -3.126 -14.822 13.526 411 HH11 ARG 51 1HH1 ARG 51 -3.031 -15.675 11.823 412 HH12 ARG 51 2HH1 ARG 51 -2.038 -15.699 10.417 413 HH21 ARG 51 1HH2 ARG 51 -1.590 -12.296 10.351 414 HH22 ARG 51 2HH2 ARG 51 -1.211 -13.808 9.595 415 H HIS 52 H HIS 52 -8.365 -14.637 14.026 416 HA HIS 52 HA HIS 52 -8.401 -16.222 11.567 417 HD1 HIS 52 HD1 HIS 52 -6.263 -17.457 11.996 418 HD2 HIS 52 HD2 HIS 52 -7.178 -17.352 16.047 419 HE1 HIS 52 HE1 HIS 52 -4.075 -17.714 13.186 420 HE2 HIS 52 HE2 HIS 52 -4.634 -17.392 15.612 421 HB2 HIS 52 2HB HIS 52 -9.242 -17.036 14.358 422 HB3 HIS 52 1HB HIS 52 -8.975 -18.108 12.987 423 HA PRO 53 HA PRO 53 -12.722 -15.533 10.752 424 HB2 PRO 53 2HB PRO 53 -13.380 -17.804 9.420 425 HB3 PRO 53 1HB PRO 53 -12.361 -16.546 8.711 426 HG2 PRO 53 2HG PRO 53 -11.547 -19.123 10.019 427 HG3 PRO 53 1HG PRO 53 -10.956 -18.403 8.510 428 HD2 PRO 53 2HD PRO 53 -9.592 -18.196 10.841 429 HD3 PRO 53 1HD PRO 53 -9.571 -16.912 9.614 430 H ASP 54 H ASP 54 -11.691 -18.381 12.482 431 HA ASP 54 HA ASP 54 -14.387 -19.008 13.426 432 HB2 ASP 54 2HB ASP 54 -13.241 -20.932 14.542 433 HB3 ASP 54 1HB ASP 54 -12.998 -20.886 12.798 434 H ALA 55 H ALA 55 -12.383 -16.671 14.242 435 HA ALA 55 HA ALA 55 -11.600 -16.862 16.868 436 HB1 ALA 55 3HB ALA 55 -11.017 -15.004 15.381 437 HB2 ALA 55 1HB ALA 55 -11.623 -14.433 16.935 438 HB3 ALA 55 2HB ALA 55 -12.664 -14.386 15.511 439 H THR 56 H THR 56 -14.750 -15.561 15.753 440 HA THR 56 HA THR 56 -15.753 -14.741 18.191 441 HB THR 56 HB THR 56 -16.883 -14.215 16.092 442 HG1 THR 56 HG1 THR 56 -18.438 -13.887 17.496 443 HG21 THR 56 3HG2 THR 56 -16.653 -16.406 14.981 444 HG22 THR 56 1HG2 THR 56 -18.323 -15.837 14.971 445 HG23 THR 56 2HG2 THR 56 -17.827 -17.092 16.105 446 H SER 57 H SER 57 -15.697 -18.043 16.936 447 HA SER 57 HA SER 57 -17.498 -19.099 18.902 448 HG SER 57 HG SER 57 -17.180 -20.675 15.731 449 HB2 SER 57 2HB SER 57 -15.525 -20.480 17.067 450 HB3 SER 57 1HB SER 57 -16.669 -21.331 18.104 451 H LYS 58 H LYS 58 -13.994 -18.798 18.681 452 HA LYS 58 HA LYS 58 -13.564 -20.272 21.142 453 HB2 LYS 58 2HB LYS 58 -11.681 -18.749 19.328 454 HB3 LYS 58 1HB LYS 58 -11.163 -19.591 20.785 455 HG2 LYS 58 2HG LYS 58 -11.987 -21.705 19.863 456 HG3 LYS 58 1HG LYS 58 -12.502 -20.868 18.400 457 HD2 LYS 58 2HD LYS 58 -10.230 -20.330 17.833 458 HD3 LYS 58 1HD LYS 58 -9.647 -20.940 19.383 459 HE2 LYS 58 2HE LYS 58 -9.255 -22.526 17.526 460 HE3 LYS 58 1HE LYS 58 -10.289 -23.199 18.786 461 HZ1 LYS 58 3HZ LYS 58 -11.077 -23.665 16.518 462 HZ2 LYS 58 1HZ LYS 58 -11.278 -22.009 16.253 463 HZ3 LYS 58 2HZ LYS 58 -12.208 -22.796 17.425 464 H ILE 59 H ILE 59 -14.144 -16.998 20.241 465 HA ILE 59 HA ILE 59 -13.241 -15.869 22.754 466 HB ILE 59 HB ILE 59 -14.983 -14.678 20.575 467 HG12 ILE 59 2HG1 ILE 59 -12.048 -14.239 21.214 468 HG13 ILE 59 1HG1 ILE 59 -12.663 -15.194 19.870 469 HG21 ILE 59 1HG2 ILE 59 -14.535 -12.503 21.640 470 HG22 ILE 59 2HG2 ILE 59 -13.705 -13.328 22.960 471 HG23 ILE 59 3HG2 ILE 59 -15.431 -13.587 22.704 472 HD11 ILE 59 3HD1 ILE 59 -13.029 -12.229 20.256 473 HD12 ILE 59 1HD1 ILE 59 -13.679 -13.179 18.918 474 HD13 ILE 59 2HD1 ILE 59 -11.935 -13.018 19.120 475 H GLY 60 H GLY 60 -16.327 -16.801 21.272 476 HA2 GLY 60 2HA GLY 60 -18.368 -17.313 22.185 477 HA3 GLY 60 1HA GLY 60 -17.533 -17.531 23.714 478 HA PRO 61 HA PRO 61 -20.093 -13.866 24.586 479 HB2 PRO 61 2HB PRO 61 -20.420 -14.308 27.215 480 HB3 PRO 61 1HB PRO 61 -21.311 -15.236 26.004 481 HG2 PRO 61 2HG PRO 61 -18.870 -16.005 27.560 482 HG3 PRO 61 1HG PRO 61 -20.305 -16.976 27.179 483 HD2 PRO 61 2HD PRO 61 -17.926 -17.122 25.795 484 HD3 PRO 61 1HD PRO 61 -19.504 -17.556 25.109 485 H GLY 62 H GLY 62 -16.913 -14.573 25.233 486 HA2 GLY 62 2HA GLY 62 -15.726 -12.259 25.436 487 HA3 GLY 62 1HA GLY 62 -16.477 -12.275 27.023 488 H VAL 63 H VAL 63 -13.644 -12.185 26.370 489 HA VAL 63 HA VAL 63 -12.646 -14.805 27.219 490 HB VAL 63 HB VAL 63 -11.094 -12.325 26.417 491 HG11 VAL 63 1HG1 VAL 63 -9.796 -13.756 27.896 492 HG12 VAL 63 2HG1 VAL 63 -9.169 -13.861 26.251 493 HG13 VAL 63 3HG1 VAL 63 -10.166 -15.164 26.899 494 HG21 VAL 63 3HG2 VAL 63 -10.659 -13.510 24.312 495 HG22 VAL 63 1HG2 VAL 63 -12.385 -13.231 24.546 496 HG23 VAL 63 2HG2 VAL 63 -11.704 -14.831 24.835 497 H ARG 64 H ARG 64 -12.063 -15.233 29.243 498 HA ARG 64 HA ARG 64 -12.058 -13.116 31.248 499 HE ARG 64 HE ARG 64 -14.378 -15.035 33.712 500 HB2 ARG 64 2HB ARG 64 -13.313 -15.133 31.771 501 HB3 ARG 64 1HB ARG 64 -11.889 -16.131 31.507 502 HG2 ARG 64 2HG ARG 64 -10.803 -15.186 33.440 503 HG3 ARG 64 1HG ARG 64 -12.122 -14.038 33.663 504 HD2 ARG 64 2HD ARG 64 -12.396 -17.040 33.825 505 HD3 ARG 64 1HD ARG 64 -12.246 -15.961 35.212 506 HH11 ARG 64 1HH1 ARG 64 -13.554 -17.883 35.465 507 HH12 ARG 64 2HH1 ARG 64 -15.199 -18.250 35.856 508 HH21 ARG 64 1HH2 ARG 64 -16.493 -15.529 34.220 509 HH22 ARG 64 2HH2 ARG 64 -16.836 -16.952 35.146 510 H ASN 65 H ASN 65 -9.897 -15.824 30.336 511 HA ASN 65 HA ASN 65 -7.574 -14.180 30.320 512 HB2 ASN 65 2HB ASN 65 -6.366 -15.235 32.212 513 HB3 ASN 65 1HB ASN 65 -7.767 -14.317 32.748 514 HD21 ASN 65 1HD2 ASN 65 -6.408 -17.493 32.354 515 HD22 ASN 65 2HD2 ASN 65 -7.571 -18.319 33.326 516 H PHE 66 H PHE 66 -5.512 -15.768 30.354 517 HA PHE 66 HA PHE 66 -6.227 -18.179 28.799 518 HD1 PHE 66 HD1 PHE 66 -5.535 -14.543 27.920 519 HD2 PHE 66 HD2 PHE 66 -5.191 -18.165 25.702 520 HE1 PHE 66 HE1 PHE 66 -6.744 -13.508 26.045 521 HE2 PHE 66 HE2 PHE 66 -6.398 -17.131 23.824 522 HZ PHE 66 HZ PHE 66 -7.178 -14.803 23.995 523 HB2 PHE 66 2HB PHE 66 -3.852 -16.331 28.492 524 HB3 PHE 66 1HB PHE 66 -3.968 -17.898 27.702 525 H GLU 67 H GLU 67 -4.993 -20.065 29.143 526 HA GLU 67 HA GLU 67 -3.245 -20.047 31.527 527 HB2 GLU 67 2HB GLU 67 -5.488 -20.955 32.082 528 HB3 GLU 67 1HB GLU 67 -5.287 -22.176 30.832 529 HG2 GLU 67 2HG GLU 67 -3.277 -23.007 32.072 530 HG3 GLU 67 1HG GLU 67 -3.679 -21.879 33.365 531 H VAL 68 H VAL 68 -1.500 -21.466 31.512 532 HA VAL 68 HA VAL 68 -0.865 -22.651 28.889 533 HB VAL 68 HB VAL 68 0.976 -22.012 31.211 534 HG11 VAL 68 1HG1 VAL 68 2.803 -22.515 29.625 535 HG12 VAL 68 2HG1 VAL 68 1.609 -23.057 28.444 536 HG13 VAL 68 3HG1 VAL 68 1.805 -23.928 29.965 537 HG21 VAL 68 3HG2 VAL 68 1.846 -20.240 29.750 538 HG22 VAL 68 1HG2 VAL 68 0.133 -20.006 30.095 539 HG23 VAL 68 2HG2 VAL 68 0.639 -20.648 28.532 540 H ARG 69 H ARG 69 -0.940 -24.791 28.634 541 HA ARG 69 HA ARG 69 -0.259 -26.565 30.860 542 HE ARG 69 HE ARG 69 -3.130 -30.765 31.270 543 HB2 ARG 69 2HB ARG 69 -2.716 -26.292 30.967 544 HB3 ARG 69 1HB ARG 69 -2.844 -26.843 29.302 545 HG2 ARG 69 2HG ARG 69 -1.972 -29.029 29.936 546 HG3 ARG 69 1HG ARG 69 -1.775 -28.481 31.600 547 HD2 ARG 69 2HD ARG 69 -4.203 -28.131 31.761 548 HD3 ARG 69 1HD ARG 69 -4.389 -28.705 30.102 549 HH11 ARG 69 1HH1 ARG 69 -5.874 -28.933 32.259 550 HH12 ARG 69 2HH1 ARG 69 -6.610 -30.273 33.070 551 HH21 ARG 69 1HH2 ARG 69 -4.093 -32.476 32.315 552 HH22 ARG 69 2HH2 ARG 69 -5.614 -32.249 33.097 553 H SER 70 H SER 70 0.431 -28.656 30.215 554 HA SER 70 HA SER 70 1.807 -28.690 27.727 555 HG SER 70 HG SER 70 0.980 -31.955 29.515 556 HB2 SER 70 2HB SER 70 2.504 -30.979 28.384 557 HB3 SER 70 1HB SER 70 2.746 -29.805 29.677 558 H ALA 71 H ALA 71 1.584 -30.072 25.950 559 HA ALA 71 HA ALA 71 -0.989 -31.505 25.679 560 HB1 ALA 71 3HB ALA 71 0.365 -29.869 23.529 561 HB2 ALA 71 1HB ALA 71 -1.074 -29.391 24.430 562 HB3 ALA 71 2HB ALA 71 -1.132 -30.786 23.352 563 H ASP 72 H ASP 72 2.239 -31.121 24.186 564 HA ASP 72 HA ASP 72 2.299 -34.026 23.687 565 HB2 ASP 72 2HB ASP 72 3.957 -31.794 22.489 566 HB3 ASP 72 1HB ASP 72 4.182 -33.504 22.137 567 H TYR 73 H TYR 73 5.071 -34.331 23.470 568 HA TYR 73 HA TYR 73 5.823 -35.025 26.027 569 HD1 TYR 73 HD1 TYR 73 6.279 -37.391 25.300 570 HD2 TYR 73 HD2 TYR 73 7.224 -35.213 21.762 571 HE1 TYR 73 HE1 TYR 73 5.467 -39.265 23.932 572 HE2 TYR 73 HE2 TYR 73 6.414 -37.083 20.389 573 HH TYR 73 HH TYR 73 4.579 -39.626 21.654 574 HB2 TYR 73 2HB TYR 73 7.752 -34.276 23.814 575 HB3 TYR 73 1HB TYR 73 8.049 -35.380 25.155 576 H GLY 74 H GLY 74 7.382 -32.303 24.271 577 HA2 GLY 74 2HA GLY 74 7.688 -30.948 26.893 578 HA3 GLY 74 1HA GLY 74 8.943 -30.946 25.668 579 H THR 75 H THR 75 5.571 -30.551 24.794 580 HA THR 75 HA THR 75 6.006 -27.650 24.437 581 HB THR 75 HB THR 75 4.737 -27.705 22.321 582 HG1 THR 75 HG1 THR 75 3.529 -29.482 22.224 583 HG21 THR 75 3HG2 THR 75 7.180 -27.782 22.214 584 HG22 THR 75 1HG2 THR 75 6.467 -28.733 20.908 585 HG23 THR 75 2HG2 THR 75 7.140 -29.543 22.322 586 H GLN 76 H GLN 76 4.462 -26.403 25.263 587 HA GLN 76 HA GLN 76 2.011 -27.618 26.286 588 HB2 GLN 76 2HB GLN 76 3.005 -24.774 26.609 589 HB3 GLN 76 1HB GLN 76 1.673 -25.515 27.480 590 HG2 GLN 76 2HG GLN 76 3.394 -25.543 29.023 591 HG3 GLN 76 1HG GLN 76 3.439 -27.172 28.356 592 HE21 GLN 76 1HE2 GLN 76 5.041 -24.069 28.465 593 HE22 GLN 76 2HE2 GLN 76 6.542 -24.615 27.811 594 H CYS 77 H CYS 77 0.098 -25.859 26.214 595 HA CYS 77 HA CYS 77 -0.084 -24.547 23.601 596 HG CYS 77 HG CYS 77 0.332 -27.061 22.690 597 HB2 CYS 77 2HB CYS 77 -2.157 -26.497 24.655 598 HB3 CYS 77 1HB CYS 77 -2.411 -25.418 23.288 599 H PHE 78 H PHE 78 -1.694 -22.865 23.522 600 HA PHE 78 HA PHE 78 -2.145 -21.651 26.135 601 HD1 PHE 78 HD2 PHE 78 -1.138 -19.077 26.419 602 HD2 PHE 78 HD1 PHE 78 -0.199 -20.724 22.601 603 HE1 PHE 78 HE2 PHE 78 1.174 -18.273 26.641 604 HE2 PHE 78 HE1 PHE 78 2.112 -19.916 22.818 605 HZ PHE 78 HZ PHE 78 2.801 -18.689 24.840 606 HB2 PHE 78 2HB PHE 78 -2.465 -20.596 23.318 607 HB3 PHE 78 1HB PHE 78 -2.910 -19.671 24.747 608 H TRP 79 H TRP 79 -3.951 -21.967 27.204 609 HA TRP 79 HA TRP 79 -6.375 -22.892 25.848 610 HD1 TRP 79 HD1 TRP 79 -3.466 -24.281 27.444 611 HE1 TRP 79 HE1 TRP 79 -3.354 -26.853 27.286 612 HE3 TRP 79 HE3 TRP 79 -8.396 -25.358 28.251 613 HZ2 TRP 79 HZ2 TRP 79 -5.122 -29.044 27.499 614 HZ3 TRP 79 HZ3 TRP 79 -9.104 -27.713 28.263 615 HH2 TRP 79 HH2 TRP 79 -7.498 -29.518 27.896 616 HB2 TRP 79 2HB TRP 79 -5.604 -22.765 28.776 617 HB3 TRP 79 1HB TRP 79 -7.176 -23.313 28.202 618 H ILE 80 H ILE 80 -8.104 -21.616 25.501 619 HA ILE 80 HA ILE 80 -8.118 -18.885 26.515 620 HB ILE 80 HB ILE 80 -10.073 -20.233 24.633 621 HG12 ILE 80 2HG1 ILE 80 -7.692 -18.468 23.982 622 HG13 ILE 80 1HG1 ILE 80 -7.752 -20.210 23.744 623 HG21 ILE 80 1HG2 ILE 80 -10.700 -17.942 23.999 624 HG22 ILE 80 2HG2 ILE 80 -9.591 -17.302 25.212 625 HG23 ILE 80 3HG2 ILE 80 -10.998 -18.242 25.711 626 HD11 ILE 80 3HD1 ILE 80 -8.112 -19.029 21.661 627 HD12 ILE 80 1HD1 ILE 80 -9.483 -18.169 22.362 628 HD13 ILE 80 2HD1 ILE 80 -9.565 -19.915 22.125 629 H LEU 81 H LEU 81 -8.944 -18.612 28.518 630 HA LEU 81 HA LEU 81 -11.155 -20.221 29.494 631 HG LEU 81 HG LEU 81 -8.923 -19.562 32.435 632 HB2 LEU 81 2HB LEU 81 -9.543 -17.971 30.700 633 HB3 LEU 81 1HB LEU 81 -10.964 -18.615 31.493 634 HD11 LEU 81 1HD1 LEU 81 -10.920 -20.922 32.480 635 HD12 LEU 81 2HD1 LEU 81 -9.501 -21.943 32.241 636 HD13 LEU 81 3HD1 LEU 81 -10.555 -21.563 30.880 637 HD21 LEU 81 3HD2 LEU 81 -7.493 -21.059 31.135 638 HD22 LEU 81 1HD2 LEU 81 -7.472 -19.422 30.481 639 HD23 LEU 81 2HD2 LEU 81 -8.410 -20.681 29.677 640 H ARG 82 H ARG 82 -12.960 -19.722 28.292 641 HA ARG 82 HA ARG 82 -13.779 -17.002 27.808 642 HE ARG 82 HE ARG 82 -14.560 -21.163 25.933 643 HB2 ARG 82 2HB ARG 82 -15.128 -19.664 27.349 644 HB3 ARG 82 1HB ARG 82 -15.878 -18.127 26.933 645 HG2 ARG 82 2HG ARG 82 -14.153 -17.643 25.337 646 HG3 ARG 82 1HG ARG 82 -13.214 -19.045 25.855 647 HD2 ARG 82 2HD ARG 82 -15.965 -19.192 24.611 648 HD3 ARG 82 1HD ARG 82 -14.452 -19.397 23.725 649 HH11 ARG 82 1HH1 ARG 82 -15.905 -20.713 22.804 650 HH12 ARG 82 2HH1 ARG 82 -16.114 -22.407 22.537 651 HH21 ARG 82 1HH2 ARG 82 -14.837 -23.320 25.581 652 HH22 ARG 82 2HH2 ARG 82 -15.518 -23.870 24.089 653 H THR 83 H THR 83 -15.569 -15.917 28.693 654 HA THR 83 HA THR 83 -16.019 -16.182 31.451 655 HB THR 83 HB THR 83 -17.911 -14.605 31.145 656 HG1 THR 83 HG1 THR 83 -18.504 -13.969 29.066 657 HG21 THR 83 3HG2 THR 83 -15.630 -13.717 31.263 658 HG22 THR 83 1HG2 THR 83 -16.621 -12.750 30.170 659 HG23 THR 83 2HG2 THR 83 -15.455 -13.902 29.518 660 H ASP 84 H ASP 84 -17.631 -17.640 28.732 661 HA ASP 84 HA ASP 84 -19.948 -18.685 29.808 662 HB2 ASP 84 2HB ASP 84 -19.408 -18.974 27.482 663 HB3 ASP 84 1HB ASP 84 -17.954 -19.884 27.871 664 H GLY 85 H GLY 85 -16.627 -19.788 30.244 665 HA2 GLY 85 2HA GLY 85 -16.063 -20.937 32.339 666 HA3 GLY 85 1HA GLY 85 -17.570 -21.827 32.174 667 H SER 86 H SER 86 -17.183 -22.214 29.270 668 HA SER 86 HA SER 86 -15.632 -24.646 29.427 669 HG SER 86 HG SER 86 -18.656 -23.928 28.181 670 HB2 SER 86 2HB SER 86 -16.966 -23.353 27.024 671 HB3 SER 86 1HB SER 86 -16.332 -24.996 27.090 672 H GLU 87 H GLU 87 -13.455 -24.459 29.443 673 HA GLU 87 HA GLU 87 -12.086 -22.421 27.917 674 HB2 GLU 87 2HB GLU 87 -10.011 -23.410 28.810 675 HB3 GLU 87 1HB GLU 87 -11.169 -23.030 30.071 676 HG2 GLU 87 2HG GLU 87 -10.893 -25.808 28.954 677 HG3 GLU 87 1HG GLU 87 -9.871 -25.215 30.260 678 H GLU 88 H GLU 88 -10.959 -22.628 26.035 679 HA GLU 88 HA GLU 88 -10.722 -25.294 24.818 680 HB2 GLU 88 2HB GLU 88 -12.773 -24.268 23.915 681 HB3 GLU 88 1HB GLU 88 -11.854 -22.860 23.404 682 HG2 GLU 88 2HG GLU 88 -10.701 -24.093 21.744 683 HG3 GLU 88 1HG GLU 88 -11.268 -25.633 22.390 684 H ARG 89 H ARG 89 -8.828 -25.638 23.792 685 HA ARG 89 HA ARG 89 -6.831 -23.482 23.930 686 HE ARG 89 HE ARG 89 -6.460 -29.849 24.218 687 HB2 ARG 89 2HB ARG 89 -5.173 -25.331 23.727 688 HB3 ARG 89 1HB ARG 89 -6.230 -25.499 25.123 689 HG2 ARG 89 2HG ARG 89 -7.521 -27.199 24.032 690 HG3 ARG 89 1HG ARG 89 -6.674 -26.934 22.509 691 HD2 ARG 89 2HD ARG 89 -4.589 -27.729 23.513 692 HD3 ARG 89 1HD ARG 89 -5.410 -27.951 25.059 693 HH11 ARG 89 1HH1 ARG 89 -4.623 -28.305 21.746 694 HH12 ARG 89 2HH1 ARG 89 -4.710 -29.660 20.679 695 HH21 ARG 89 1HH2 ARG 89 -6.553 -31.587 22.852 696 HH22 ARG 89 2HH2 ARG 89 -5.788 -31.504 21.304 697 H PHE 90 H PHE 90 -5.308 -23.142 22.215 698 HA PHE 90 HA PHE 90 -5.969 -24.387 19.631 699 HD1 PHE 90 HD1 PHE 90 -6.447 -21.060 21.864 700 HD2 PHE 90 HD2 PHE 90 -3.882 -20.685 18.482 701 HE1 PHE 90 HE1 PHE 90 -5.462 -19.026 22.838 702 HE2 PHE 90 HE2 PHE 90 -2.891 -18.654 19.454 703 HZ PHE 90 HZ PHE 90 -3.683 -17.820 21.632 704 HB2 PHE 90 2HB PHE 90 -5.581 -22.271 18.448 705 HB3 PHE 90 1HB PHE 90 -6.931 -22.147 19.565 706 H SER 91 H SER 91 -4.250 -24.847 18.278 707 HA SER 91 HA SER 91 -1.871 -25.573 19.582 708 HG SER 91 HG SER 91 -2.554 -27.834 17.780 709 HB2 SER 91 2HB SER 91 -2.318 -25.378 16.596 710 HB3 SER 91 1HB SER 91 -1.098 -26.354 17.413 711 H TYR 92 H TYR 92 -2.694 -22.597 18.170 712 HA TYR 92 HA TYR 92 -1.675 -20.675 17.695 713 HD1 TYR 92 HD2 TYR 92 2.169 -20.082 18.517 714 HD2 TYR 92 HD1 TYR 92 0.251 -22.918 21.056 715 HE1 TYR 92 HE2 TYR 92 4.363 -20.956 19.188 716 HE2 TYR 92 HE1 TYR 92 2.446 -23.791 21.740 717 HH TYR 92 HH TYR 92 5.312 -22.197 21.227 718 HB2 TYR 92 2HB TYR 92 -0.184 -19.799 19.231 719 HB3 TYR 92 1HB TYR 92 -0.999 -21.055 20.141 720 H LYS 93 H LYS 93 1.111 -22.960 17.782 721 HA LYS 93 HA LYS 93 2.760 -21.729 15.981 722 HB2 LYS 93 2HB LYS 93 3.711 -23.971 15.525 723 HB3 LYS 93 1HB LYS 93 3.438 -23.685 17.239 724 HG2 LYS 93 2HG LYS 93 1.340 -24.986 17.096 725 HG3 LYS 93 1HG LYS 93 1.694 -25.328 15.403 726 HD2 LYS 93 2HD LYS 93 3.482 -26.087 17.715 727 HD3 LYS 93 1HD LYS 93 2.317 -27.172 16.958 728 HE2 LYS 93 2HE LYS 93 3.514 -26.928 14.814 729 HE3 LYS 93 1HE LYS 93 4.689 -25.874 15.604 730 HZ1 LYS 93 3HZ LYS 93 4.171 -28.702 16.365 731 HZ2 LYS 93 1HZ LYS 93 5.355 -27.685 17.017 732 HZ3 LYS 93 2HZ LYS 93 5.462 -28.179 15.405 733 H LYS 94 H LYS 94 -0.095 -23.644 15.212 734 HA LYS 94 HA LYS 94 0.446 -23.663 12.368 735 HB2 LYS 94 2HB LYS 94 -2.032 -24.441 13.925 736 HB3 LYS 94 1HB LYS 94 -1.837 -24.652 12.191 737 HG2 LYS 94 2HG LYS 94 0.048 -26.171 12.589 738 HG3 LYS 94 1HG LYS 94 -0.161 -25.967 14.328 739 HD2 LYS 94 2HD LYS 94 -1.225 -28.015 13.764 740 HD3 LYS 94 1HD LYS 94 -2.520 -26.850 14.033 741 HE2 LYS 94 2HE LYS 94 -1.430 -27.638 11.325 742 HE3 LYS 94 1HE LYS 94 -2.887 -28.305 12.053 743 HZ1 LYS 94 3HZ LYS 94 -3.590 -26.630 10.585 744 HZ2 LYS 94 1HZ LYS 94 -2.425 -25.530 11.125 745 HZ3 LYS 94 2HZ LYS 94 -3.726 -25.942 12.121 746 H CYS 95 H CYS 95 0.699 -21.306 12.188 747 HA CYS 95 HA CYS 95 -1.669 -20.072 11.204 748 HG CYS 95 HG CYS 95 0.541 -19.333 14.812 749 HB2 CYS 95 2HB CYS 95 -1.903 -18.233 12.708 750 HB3 CYS 95 1HB CYS 95 -1.897 -19.688 13.698 751 H VAL 96 H VAL 96 -1.148 -18.689 9.661 752 HA VAL 96 HA VAL 96 1.416 -17.245 9.726 753 HB VAL 96 HB VAL 96 0.327 -18.632 7.250 754 HG11 VAL 96 1HG1 VAL 96 2.440 -17.943 6.194 755 HG12 VAL 96 2HG1 VAL 96 2.885 -17.074 7.664 756 HG13 VAL 96 3HG1 VAL 96 1.486 -16.557 6.722 757 HG21 VAL 96 3HG2 VAL 96 2.726 -19.353 8.942 758 HG22 VAL 96 1HG2 VAL 96 2.323 -20.079 7.386 759 HG23 VAL 96 2HG2 VAL 96 1.243 -20.292 8.763 760 H LEU 97 H LEU 97 -1.319 -17.671 7.529 761 HA LEU 97 HA LEU 97 -2.327 -14.992 8.018 762 HG LEU 97 HG LEU 97 0.324 -14.458 6.763 763 HB2 LEU 97 2HB LEU 97 -1.169 -15.853 5.366 764 HB3 LEU 97 1HB LEU 97 -2.405 -14.614 5.459 765 HD11 LEU 97 1HD1 LEU 97 -0.783 -13.003 4.358 766 HD12 LEU 97 2HD1 LEU 97 0.420 -14.291 4.316 767 HD13 LEU 97 3HD1 LEU 97 0.804 -12.753 5.088 768 HD21 LEU 97 3HD2 LEU 97 -0.285 -12.137 7.254 769 HD22 LEU 97 1HD2 LEU 97 -1.395 -13.264 8.037 770 HD23 LEU 97 2HD2 LEU 97 -1.892 -12.407 6.577 771 H GLU 98 H GLU 98 -4.507 -14.853 7.644 772 HA GLU 98 HA GLU 98 -5.899 -17.319 7.107 773 HB2 GLU 98 2HB GLU 98 -6.661 -14.599 8.068 774 HB3 GLU 98 1HB GLU 98 -7.923 -15.603 7.365 775 HG2 GLU 98 2HG GLU 98 -7.700 -15.739 9.857 776 HG3 GLU 98 1HG GLU 98 -7.650 -17.278 9.009 777 H HIS 99 H HIS 99 -4.703 -14.861 5.190 778 HA HIS 99 HA HIS 99 -6.306 -15.864 2.915 779 HD1 HIS 99 HD1 HIS 99 -5.960 -11.182 3.538 780 HD2 HIS 99 HD2 HIS 99 -8.366 -14.570 3.495 781 HE1 HIS 99 HE1 HIS 99 -8.181 -10.445 4.443 782 HE2 HIS 99 HE2 HIS 99 -9.537 -12.555 4.609 783 HB2 HIS 99 2HB HIS 99 -4.662 -13.317 3.080 784 HB3 HIS 99 1HB HIS 99 -5.620 -13.841 1.698 785 H HIS 100 H HIS 100 -4.492 -17.554 3.876 786 HA HIS 100 HA HIS 100 -1.793 -17.170 3.120 787 HD1 HIS 100 HD1 HIS 100 -2.117 -21.613 2.941 788 HD2 HIS 100 HD2 HIS 100 0.497 -18.747 4.424 789 HE1 HIS 100 HE1 HIS 100 0.158 -22.666 2.844 790 HE2 HIS 100 HE2 HIS 100 1.682 -20.991 3.925 791 HB2 HIS 100 2HB HIS 100 -2.401 -18.625 4.953 792 HB3 HIS 100 1HB HIS 100 -3.321 -19.667 3.879 793 H HIS 101 H HIS 101 -1.741 -16.637 0.897 794 HA HIS 101 HA HIS 101 -1.190 -18.935 -0.714 795 HD1 HIS 101 HD1 HIS 101 -3.214 -16.429 -3.817 796 HD2 HIS 101 HD2 HIS 101 -4.751 -16.325 0.043 797 HE1 HIS 101 HE1 HIS 101 -4.599 -14.344 -3.704 798 HE2 HIS 101 HE2 HIS 101 -5.512 -14.288 -1.362 799 HB2 HIS 101 2HB HIS 101 -2.728 -18.521 -2.550 800 HB3 HIS 101 1HB HIS 101 -3.634 -18.789 -1.068 801 H HIS 102 H HIS 102 0.449 -18.502 -2.047 802 HA HIS 102 HA HIS 102 0.814 -15.861 -3.198 803 HD1 HIS 102 HD1 HIS 102 3.216 -13.770 -2.936 804 HD2 HIS 102 HD2 HIS 102 1.176 -14.872 0.516 805 HE1 HIS 102 HE1 HIS 102 2.652 -11.620 -1.779 806 HE2 HIS 102 HE2 HIS 102 1.583 -12.309 0.388 807 HB2 HIS 102 2HB HIS 102 2.476 -16.866 -0.974 808 HB3 HIS 102 1HB HIS 102 3.396 -16.283 -2.355 809 H HIS 103 H HIS 103 1.000 -16.334 -5.275 810 HA HIS 103 HA HIS 103 2.275 -18.803 -6.160 811 HD1 HIS 103 HD1 HIS 103 2.343 -16.639 -9.769 812 HD2 HIS 103 HD2 HIS 103 0.865 -20.394 -8.770 813 HE1 HIS 103 HE1 HIS 103 2.843 -18.103 -11.739 814 HE2 HIS 103 HE2 HIS 103 1.759 -20.299 -11.197 815 HB2 HIS 103 2HB HIS 103 0.140 -18.189 -7.173 816 HB3 HIS 103 1HB HIS 103 0.800 -16.642 -7.690 817 H HIS 104 H HIS 104 4.226 -18.948 -7.136 818 HA HIS 104 HA HIS 104 5.371 -16.688 -8.534 819 HD1 HIS 104 HD1 HIS 104 8.015 -19.456 -6.501 820 HD2 HIS 104 HD2 HIS 104 5.622 -17.154 -4.004 821 HE1 HIS 104 HE1 HIS 104 7.993 -20.655 -4.300 822 HE2 HIS 104 HE2 HIS 104 6.682 -19.164 -2.765 823 HB2 HIS 104 2HB HIS 104 7.592 -16.926 -7.280 824 HB3 HIS 104 1HB HIS 104 6.289 -16.088 -6.447 Start of MODEL 14 1 HA MET 1 HA MET 1 3.338 3.242 0.978 2 H1 MET 1 1H MET 1 5.932 1.835 0.672 3 H2 MET 1 2H MET 1 4.950 1.869 2.048 4 H3 MET 1 3H MET 1 5.705 3.281 1.518 5 HB2 MET 1 2HB MET 1 3.573 3.924 -1.356 6 HB3 MET 1 1HB MET 1 4.911 4.539 -0.395 7 HG2 MET 1 2HG MET 1 6.358 2.774 -1.245 8 HG3 MET 1 1HG MET 1 5.017 2.111 -2.180 9 HE1 MET 1 3HE MET 1 7.307 3.618 -4.971 10 HE2 MET 1 1HE MET 1 6.468 2.178 -4.396 11 HE3 MET 1 2HE MET 1 7.836 2.825 -3.487 12 H ALA 2 H ALA 2 4.750 0.261 0.652 13 HA ALA 2 HA ALA 2 3.100 -0.807 -1.468 14 HB1 ALA 2 3HB ALA 2 5.357 -1.667 -1.050 15 HB2 ALA 2 1HB ALA 2 4.143 -2.942 -0.926 16 HB3 ALA 2 2HB ALA 2 4.844 -2.244 0.535 17 H LYS 3 H LYS 3 1.928 -2.990 -0.925 18 HA LYS 3 HA LYS 3 -0.076 -2.448 1.115 19 HB2 LYS 3 2HB LYS 3 0.178 -4.771 -0.818 20 HB3 LYS 3 1HB LYS 3 -1.213 -4.443 0.207 21 HG2 LYS 3 2HG LYS 3 -1.575 -2.323 -0.995 22 HG3 LYS 3 1HG LYS 3 -0.210 -2.706 -2.049 23 HD2 LYS 3 2HD LYS 3 -1.382 -4.766 -2.768 24 HD3 LYS 3 1HD LYS 3 -2.755 -4.317 -1.755 25 HE2 LYS 3 2HE LYS 3 -3.174 -3.723 -4.073 26 HE3 LYS 3 1HE LYS 3 -3.052 -2.272 -3.078 27 HZ1 LYS 3 3HZ LYS 3 -0.981 -1.754 -3.963 28 HZ2 LYS 3 1HZ LYS 3 -1.843 -2.305 -5.304 29 HZ3 LYS 3 2HZ LYS 3 -0.715 -3.313 -4.557 30 H ALA 4 H ALA 4 2.860 -4.133 0.924 31 HA ALA 4 HA ALA 4 2.304 -6.366 2.580 32 HB1 ALA 4 3HB ALA 4 4.235 -6.296 1.071 33 HB2 ALA 4 1HB ALA 4 4.721 -6.639 2.731 34 HB3 ALA 4 2HB ALA 4 4.961 -5.026 2.056 35 H GLN 5 H GLN 5 1.104 -5.446 4.328 36 HA GLN 5 HA GLN 5 2.446 -3.707 6.219 37 HB2 GLN 5 2HB GLN 5 -0.235 -5.115 6.308 38 HB3 GLN 5 1HB GLN 5 0.349 -4.031 7.566 39 HG2 GLN 5 2HG GLN 5 -0.057 -3.239 4.683 40 HG3 GLN 5 1HG GLN 5 -1.232 -2.975 5.972 41 HE21 GLN 5 1HE2 GLN 5 -0.822 -1.404 7.519 42 HE22 GLN 5 2HE2 GLN 5 0.405 -0.208 7.320 43 HA PRO 6 HA PRO 6 4.338 -7.044 8.538 44 HB2 PRO 6 2HB PRO 6 4.844 -5.627 10.835 45 HB3 PRO 6 1HB PRO 6 5.838 -5.517 9.378 46 HG2 PRO 6 2HG PRO 6 3.647 -3.695 10.318 47 HG3 PRO 6 1HG PRO 6 5.236 -3.279 9.644 48 HD2 PRO 6 2HD PRO 6 3.003 -3.187 8.147 49 HD3 PRO 6 1HD PRO 6 4.559 -3.700 7.460 50 H ILE 7 H ILE 7 3.995 -8.205 10.610 51 HA ILE 7 HA ILE 7 1.170 -8.489 11.128 52 HB ILE 7 HB ILE 7 3.557 -9.953 12.292 53 HG12 ILE 7 2HG1 ILE 7 2.605 -11.873 10.954 54 HG13 ILE 7 1HG1 ILE 7 1.469 -10.742 10.234 55 HG21 ILE 7 1HG2 ILE 7 1.755 -9.923 13.935 56 HG22 ILE 7 2HG2 ILE 7 1.951 -11.540 13.261 57 HG23 ILE 7 3HG2 ILE 7 0.619 -10.518 12.723 58 HD11 ILE 7 3HD1 ILE 7 3.356 -11.207 8.770 59 HD12 ILE 7 1HD1 ILE 7 4.467 -10.603 9.999 60 HD13 ILE 7 2HD1 ILE 7 3.311 -9.508 9.239 61 H GLU 8 H GLU 8 0.398 -6.725 12.245 62 HA GLU 8 HA GLU 8 1.768 -5.833 14.669 63 HB2 GLU 8 2HB GLU 8 0.896 -4.161 13.053 64 HB3 GLU 8 1HB GLU 8 -0.737 -4.744 13.360 65 HG2 GLU 8 2HG GLU 8 -0.329 -4.164 15.800 66 HG3 GLU 8 1HG GLU 8 1.114 -3.314 15.255 67 H ILE 9 H ILE 9 1.280 -6.697 16.585 68 HA ILE 9 HA ILE 9 -1.528 -7.387 17.174 69 HB ILE 9 HB ILE 9 0.872 -9.003 18.076 70 HG12 ILE 9 2HG1 ILE 9 -1.319 -9.734 16.101 71 HG13 ILE 9 1HG1 ILE 9 0.340 -9.333 15.676 72 HG21 ILE 9 1HG2 ILE 9 -0.802 -10.553 19.004 73 HG22 ILE 9 2HG2 ILE 9 -2.086 -9.439 18.533 74 HG23 ILE 9 3HG2 ILE 9 -0.900 -8.957 19.746 75 HD11 ILE 9 3HD1 ILE 9 -0.521 -11.690 17.340 76 HD12 ILE 9 1HD1 ILE 9 1.137 -11.291 16.883 77 HD13 ILE 9 2HD1 ILE 9 -0.039 -11.732 15.644 78 H ALA 10 H ALA 10 -2.189 -5.999 18.708 79 HA ALA 10 HA ALA 10 -2.341 -4.848 20.666 80 HB1 ALA 10 3HB ALA 10 -1.884 -7.053 21.644 81 HB2 ALA 10 1HB ALA 10 -1.220 -5.750 22.629 82 HB3 ALA 10 2HB ALA 10 -0.154 -6.711 21.602 83 H GLY 11 H GLY 11 -0.533 -3.821 18.622 84 HA2 GLY 11 2HA GLY 11 0.734 -1.858 18.524 85 HA3 GLY 11 1HA GLY 11 0.951 -1.931 20.265 86 H HIS 12 H HIS 12 1.684 -4.906 18.927 87 HA HIS 12 HA HIS 12 4.569 -4.279 18.819 88 HD1 HIS 12 HD1 HIS 12 5.827 -5.566 21.466 89 HD2 HIS 12 HD2 HIS 12 1.734 -6.293 21.437 90 HE1 HIS 12 HE1 HIS 12 5.083 -5.327 23.851 91 HE2 HIS 12 HE2 HIS 12 2.607 -5.759 23.816 92 HB2 HIS 12 2HB HIS 12 3.243 -6.987 19.165 93 HB3 HIS 12 1HB HIS 12 4.966 -6.644 19.272 94 H GLU 13 H GLU 13 5.120 -3.863 16.743 95 HA GLU 13 HA GLU 13 3.811 -5.291 14.569 96 HB2 GLU 13 2HB GLU 13 4.962 -3.740 13.061 97 HB3 GLU 13 1HB GLU 13 4.070 -2.883 14.304 98 HG2 GLU 13 2HG GLU 13 7.024 -3.393 14.536 99 HG3 GLU 13 1HG GLU 13 6.378 -2.006 13.668 100 H PHE 14 H PHE 14 4.578 -7.175 13.924 101 HA PHE 14 HA PHE 14 7.408 -7.838 14.285 102 HD1 PHE 14 HD1 PHE 14 7.662 -9.943 16.109 103 HD2 PHE 14 HD2 PHE 14 3.549 -9.197 15.288 104 HE1 PHE 14 HE1 PHE 14 7.143 -10.183 18.500 105 HE2 PHE 14 HE2 PHE 14 3.027 -9.433 17.680 106 HZ PHE 14 HZ PHE 14 4.825 -9.927 19.289 107 HB2 PHE 14 2HB PHE 14 5.063 -9.590 13.500 108 HB3 PHE 14 1HB PHE 14 6.703 -10.153 13.809 109 H ALA 15 H ALA 15 8.815 -8.077 12.646 110 HA ALA 15 HA ALA 15 8.212 -6.943 10.118 111 HB1 ALA 15 3HB ALA 15 10.517 -7.481 9.532 112 HB2 ALA 15 1HB ALA 15 10.645 -8.518 10.954 113 HB3 ALA 15 2HB ALA 15 10.415 -6.780 11.147 114 H ARG 16 H ARG 16 7.705 -10.094 11.223 115 HA ARG 16 HA ARG 16 6.796 -11.000 8.668 116 HE ARG 16 HE ARG 16 11.734 -14.120 11.105 117 HB2 ARG 16 2HB ARG 16 8.319 -12.958 8.479 118 HB3 ARG 16 1HB ARG 16 9.152 -11.424 8.274 119 HG2 ARG 16 2HG ARG 16 9.867 -11.580 10.670 120 HG3 ARG 16 1HG ARG 16 9.180 -13.203 10.707 121 HD2 ARG 16 2HD ARG 16 10.715 -13.917 8.958 122 HD3 ARG 16 1HD ARG 16 11.366 -12.281 8.834 123 HH11 ARG 16 1HH1 ARG 16 12.693 -11.324 9.330 124 HH12 ARG 16 2HH1 ARG 16 14.066 -11.026 10.333 125 HH21 ARG 16 1HH2 ARG 16 13.526 -13.752 12.356 126 HH22 ARG 16 2HH2 ARG 16 14.539 -12.389 12.024 127 H LYS 17 H LYS 17 5.802 -13.189 8.812 128 HA LYS 17 HA LYS 17 4.255 -13.452 11.135 129 HB2 LYS 17 2HB LYS 17 4.169 -14.527 8.608 130 HB3 LYS 17 1HB LYS 17 4.591 -15.936 9.569 131 HG2 LYS 17 2HG LYS 17 2.219 -14.146 10.085 132 HG3 LYS 17 1HG LYS 17 2.162 -15.674 9.208 133 HD2 LYS 17 2HD LYS 17 2.892 -16.874 11.196 134 HD3 LYS 17 1HD LYS 17 3.049 -15.354 12.083 135 HE2 LYS 17 2HE LYS 17 0.690 -14.976 11.993 136 HE3 LYS 17 1HE LYS 17 0.457 -16.310 10.867 137 HZ1 LYS 17 3HZ LYS 17 1.288 -16.525 13.707 138 HZ2 LYS 17 1HZ LYS 17 1.185 -17.830 12.637 139 HZ3 LYS 17 2HZ LYS 17 -0.207 -16.970 13.058 140 H ALA 18 H ALA 18 7.160 -15.210 10.108 141 HA ALA 18 HA ALA 18 7.325 -17.019 12.259 142 HB1 ALA 18 3HB ALA 18 9.585 -15.835 10.642 143 HB2 ALA 18 1HB ALA 18 8.631 -17.251 10.197 144 HB3 ALA 18 2HB ALA 18 9.664 -17.298 11.625 145 H ASP 19 H ASP 19 8.100 -13.635 12.073 146 HA ASP 19 HA ASP 19 9.755 -13.489 14.398 147 HB2 ASP 19 2HB ASP 19 9.687 -11.773 12.570 148 HB3 ASP 19 1HB ASP 19 8.083 -11.305 13.119 149 H ALA 20 H ALA 20 6.295 -12.922 13.775 150 HA ALA 20 HA ALA 20 5.501 -12.408 16.436 151 HB1 ALA 20 3HB ALA 20 3.886 -13.681 14.219 152 HB2 ALA 20 1HB ALA 20 4.074 -11.947 14.484 153 HB3 ALA 20 2HB ALA 20 3.242 -12.936 15.683 154 H LEU 21 H LEU 21 5.778 -15.433 14.601 155 HA LEU 21 HA LEU 21 4.760 -17.162 16.590 156 HG LEU 21 HG LEU 21 4.753 -16.950 13.373 157 HB2 LEU 21 2HB LEU 21 6.792 -17.773 14.433 158 HB3 LEU 21 1HB LEU 21 5.871 -18.960 15.338 159 HD11 LEU 21 1HD1 LEU 21 5.928 -18.814 12.314 160 HD12 LEU 21 2HD1 LEU 21 4.190 -18.894 12.025 161 HD13 LEU 21 3HD1 LEU 21 4.936 -19.958 13.220 162 HD21 LEU 21 3HD2 LEU 21 3.185 -17.282 15.191 163 HD22 LEU 21 1HD2 LEU 21 3.328 -19.034 15.024 164 HD23 LEU 21 2HD2 LEU 21 2.603 -18.080 13.732 165 H ALA 22 H ALA 22 8.045 -15.998 15.919 166 HA ALA 22 HA ALA 22 9.441 -17.523 17.812 167 HB1 ALA 22 3HB ALA 22 10.540 -16.190 16.064 168 HB2 ALA 22 1HB ALA 22 11.188 -15.830 17.665 169 HB3 ALA 22 2HB ALA 22 10.061 -14.711 16.896 170 H PHE 23 H PHE 23 7.899 -14.330 18.141 171 HA PHE 23 HA PHE 23 8.562 -13.804 20.807 172 HD1 PHE 23 HD1 PHE 23 8.379 -10.920 21.241 173 HD2 PHE 23 HD2 PHE 23 4.537 -12.766 21.176 174 HE1 PHE 23 HE1 PHE 23 7.692 -9.560 23.173 175 HE2 PHE 23 HE2 PHE 23 3.851 -11.410 23.108 176 HZ PHE 23 HZ PHE 23 5.428 -9.799 24.107 177 HB2 PHE 23 2HB PHE 23 7.566 -12.152 19.260 178 HB3 PHE 23 1HB PHE 23 6.040 -13.023 19.319 179 H MET 24 H MET 24 5.426 -15.079 19.623 180 HA MET 24 HA MET 24 4.400 -15.847 22.082 181 HB2 MET 24 2HB MET 24 3.890 -16.812 19.283 182 HB3 MET 24 1HB MET 24 3.066 -17.554 20.650 183 HG2 MET 24 2HG MET 24 2.114 -15.408 21.274 184 HG3 MET 24 1HG MET 24 2.993 -14.619 19.966 185 HE1 MET 24 3HE MET 24 1.166 -15.715 16.780 186 HE2 MET 24 1HE MET 24 2.724 -16.240 17.426 187 HE3 MET 24 2HE MET 24 2.250 -14.543 17.525 188 H LYS 25 H LYS 25 6.721 -17.536 20.061 189 HA LYS 25 HA LYS 25 6.645 -20.020 21.421 190 HB2 LYS 25 2HB LYS 25 7.691 -19.825 19.247 191 HB3 LYS 25 1HB LYS 25 8.871 -18.684 19.868 192 HG2 LYS 25 2HG LYS 25 8.795 -21.341 21.180 193 HG3 LYS 25 1HG LYS 25 9.370 -21.300 19.515 194 HD2 LYS 25 2HD LYS 25 10.475 -19.656 21.806 195 HD3 LYS 25 1HD LYS 25 11.225 -21.096 21.113 196 HE2 LYS 25 2HE LYS 25 11.293 -19.896 18.914 197 HE3 LYS 25 1HE LYS 25 10.747 -18.445 19.750 198 HZ1 LYS 25 3HZ LYS 25 12.745 -18.575 21.142 199 HZ2 LYS 25 1HZ LYS 25 13.128 -18.423 19.500 200 HZ3 LYS 25 2HZ LYS 25 13.269 -19.923 20.274 201 H VAL 26 H VAL 26 8.707 -17.135 21.909 202 HA VAL 26 HA VAL 26 10.315 -18.127 23.972 203 HB VAL 26 HB VAL 26 9.354 -15.281 23.560 204 HG11 VAL 26 1HG1 VAL 26 10.191 -15.549 25.823 205 HG12 VAL 26 2HG1 VAL 26 11.348 -14.625 24.865 206 HG13 VAL 26 3HG1 VAL 26 11.657 -16.324 25.219 207 HG21 VAL 26 3HG2 VAL 26 11.503 -14.952 22.418 208 HG22 VAL 26 1HG2 VAL 26 10.531 -16.187 21.618 209 HG23 VAL 26 2HG2 VAL 26 11.886 -16.659 22.642 210 H MET 27 H MET 27 7.361 -16.142 24.311 211 HA MET 27 HA MET 27 7.095 -16.415 27.096 212 HB2 MET 27 2HB MET 27 4.636 -15.858 26.632 213 HB3 MET 27 1HB MET 27 5.837 -14.690 26.099 214 HG2 MET 27 2HG MET 27 5.697 -15.673 23.824 215 HG3 MET 27 1HG MET 27 4.385 -16.700 24.394 216 HE1 MET 27 3HE MET 27 1.943 -15.986 24.526 217 HE2 MET 27 1HE MET 27 1.432 -14.332 24.859 218 HE3 MET 27 2HE MET 27 2.432 -15.197 26.027 219 H LEU 28 H LEU 28 5.891 -18.476 24.471 220 HA LEU 28 HA LEU 28 4.284 -20.202 26.003 221 HG LEU 28 HG LEU 28 4.919 -22.877 24.611 222 HB2 LEU 28 2HB LEU 28 4.294 -20.121 23.534 223 HB3 LEU 28 1HB LEU 28 5.892 -20.840 23.524 224 HD11 LEU 28 1HD1 LEU 28 2.490 -23.181 24.559 225 HD12 LEU 28 2HD1 LEU 28 2.289 -21.508 24.035 226 HD13 LEU 28 3HD1 LEU 28 2.957 -21.860 25.630 227 HD21 LEU 28 3HD2 LEU 28 3.716 -22.086 21.955 228 HD22 LEU 28 1HD2 LEU 28 3.874 -23.730 22.572 229 HD23 LEU 28 2HD2 LEU 28 5.315 -22.788 22.202 230 H ASN 29 H ASN 29 7.763 -20.293 25.298 231 HA ASN 29 HA ASN 29 8.264 -22.828 26.484 232 HB2 ASN 29 2HB ASN 29 10.067 -20.492 25.845 233 HB3 ASN 29 1HB ASN 29 10.674 -21.967 26.588 234 HD21 ASN 29 1HD2 ASN 29 8.146 -21.801 24.125 235 HD22 ASN 29 2HD2 ASN 29 9.054 -22.619 22.911 236 H ARG 30 H ARG 30 8.054 -19.589 27.764 237 HA ARG 30 HA ARG 30 9.315 -19.971 30.253 238 HE ARG 30 HE ARG 30 9.648 -15.995 30.653 239 HB2 ARG 30 2HB ARG 30 8.883 -17.747 29.447 240 HB3 ARG 30 1HB ARG 30 7.154 -18.055 29.364 241 HG2 ARG 30 2HG ARG 30 7.039 -18.187 31.795 242 HG3 ARG 30 1HG ARG 30 8.782 -17.935 31.903 243 HD2 ARG 30 2HD ARG 30 6.827 -15.975 30.694 244 HD3 ARG 30 1HD ARG 30 7.450 -15.886 32.339 245 HH11 ARG 30 1HH1 ARG 30 7.004 -13.865 31.223 246 HH12 ARG 30 2HH1 ARG 30 7.896 -12.458 30.769 247 HH21 ARG 30 1HH2 ARG 30 10.778 -14.201 30.069 248 HH22 ARG 30 2HH2 ARG 30 10.019 -12.647 30.112 249 H TYR 31 H TYR 31 6.043 -20.688 29.183 250 HA TYR 31 HA TYR 31 5.256 -21.360 31.933 251 HD1 TYR 31 HD1 TYR 31 3.489 -19.708 32.922 252 HD2 TYR 31 HD2 TYR 31 3.715 -18.843 28.758 253 HE1 TYR 31 HE1 TYR 31 3.303 -17.308 33.414 254 HE2 TYR 31 HE2 TYR 31 3.535 -16.442 29.243 255 HH TYR 31 HH TYR 31 2.764 -14.970 30.950 256 HB2 TYR 31 2HB TYR 31 3.561 -21.072 29.444 257 HB3 TYR 31 1HB TYR 31 2.948 -21.442 31.052 258 H ARG 32 H ARG 32 4.634 -23.352 32.568 259 HA ARG 32 HA ARG 32 5.336 -25.636 30.911 260 HE ARG 32 HE ARG 32 5.030 -24.195 35.343 261 HB2 ARG 32 2HB ARG 32 4.220 -25.534 33.725 262 HB3 ARG 32 1HB ARG 32 4.911 -26.945 32.938 263 HG2 ARG 32 2HG ARG 32 7.089 -26.103 33.067 264 HG3 ARG 32 1HG ARG 32 6.528 -24.453 33.367 265 HD2 ARG 32 2HD ARG 32 6.295 -26.808 35.251 266 HD3 ARG 32 1HD ARG 32 7.369 -25.417 35.430 267 HH11 ARG 32 1HH1 ARG 32 5.943 -26.995 37.118 268 HH12 ARG 32 2HH1 ARG 32 4.760 -26.726 38.348 269 HH21 ARG 32 1HH2 ARG 32 3.503 -23.874 36.888 270 HH22 ARG 32 2HH2 ARG 32 3.373 -24.984 38.211 271 HA PRO 33 HA PRO 33 1.152 -26.901 29.801 272 HB2 PRO 33 2HB PRO 33 1.630 -29.575 30.979 273 HB3 PRO 33 1HB PRO 33 1.223 -29.133 29.317 274 HG2 PRO 33 2HG PRO 33 3.670 -29.958 30.001 275 HG3 PRO 33 1HG PRO 33 3.422 -28.742 28.740 276 HD2 PRO 33 2HD PRO 33 4.328 -28.408 31.573 277 HD3 PRO 33 1HD PRO 33 4.859 -27.554 30.108 278 H GLY 34 H GLY 34 0.597 -25.437 31.644 279 HA2 GLY 34 2HA GLY 34 -1.534 -26.220 33.123 280 HA3 GLY 34 1HA GLY 34 -0.186 -26.654 34.161 281 H ASP 35 H ASP 35 1.185 -24.144 32.836 282 HA ASP 35 HA ASP 35 0.425 -22.339 34.950 283 HB2 ASP 35 2HB ASP 35 2.458 -22.169 32.731 284 HB3 ASP 35 1HB ASP 35 2.125 -20.801 33.787 285 H ILE 36 H ILE 36 -0.571 -20.381 34.809 286 HA ILE 36 HA ILE 36 -2.246 -19.909 32.473 287 HB ILE 36 HB ILE 36 -2.133 -18.462 35.133 288 HG12 ILE 36 2HG1 ILE 36 -2.880 -20.799 35.348 289 HG13 ILE 36 1HG1 ILE 36 -4.206 -19.683 35.657 290 HG21 ILE 36 1HG2 ILE 36 -2.992 -17.015 33.361 291 HG22 ILE 36 2HG2 ILE 36 -4.275 -17.461 34.485 292 HG23 ILE 36 3HG2 ILE 36 -4.172 -18.248 32.910 293 HD11 ILE 36 3HD1 ILE 36 -4.922 -21.596 34.333 294 HD12 ILE 36 1HD1 ILE 36 -3.740 -21.189 33.088 295 HD13 ILE 36 2HD1 ILE 36 -5.084 -20.095 33.422 296 H VAL 37 H VAL 37 -2.035 -18.238 31.066 297 HA VAL 37 HA VAL 37 0.384 -16.759 30.865 298 HB VAL 37 HB VAL 37 -2.273 -16.272 29.484 299 HG11 VAL 37 1HG1 VAL 37 0.495 -15.338 28.743 300 HG12 VAL 37 2HG1 VAL 37 -0.832 -14.329 29.321 301 HG13 VAL 37 3HG1 VAL 37 -0.954 -15.137 27.759 302 HG21 VAL 37 3HG2 VAL 37 -1.470 -18.537 29.084 303 HG22 VAL 37 1HG2 VAL 37 0.109 -17.913 28.603 304 HG23 VAL 37 2HG2 VAL 37 -1.313 -17.566 27.620 305 H SER 38 H SER 38 0.795 -14.533 31.271 306 HA SER 38 HA SER 38 -0.586 -13.580 33.614 307 HG SER 38 HG SER 38 2.230 -12.556 31.295 308 HB2 SER 38 2HB SER 38 1.132 -11.932 33.802 309 HB3 SER 38 1HB SER 38 1.914 -13.414 33.255 310 H THR 39 H THR 39 -0.854 -11.029 33.702 311 HA THR 39 HA THR 39 -3.146 -10.446 32.130 312 HB THR 39 HB THR 39 -1.479 -8.477 33.730 313 HG1 THR 39 HG1 THR 39 -3.063 -8.998 35.398 314 HG21 THR 39 3HG2 THR 39 -3.129 -7.408 32.257 315 HG22 THR 39 1HG2 THR 39 -3.588 -7.235 33.951 316 HG23 THR 39 2HG2 THR 39 -4.402 -8.425 32.935 317 H VAL 40 H VAL 40 0.249 -9.700 31.745 318 HA VAL 40 HA VAL 40 -0.075 -7.676 29.737 319 HB VAL 40 HB VAL 40 2.346 -9.389 30.366 320 HG11 VAL 40 1HG1 VAL 40 2.143 -6.815 28.788 321 HG12 VAL 40 2HG1 VAL 40 2.496 -8.415 28.132 322 HG13 VAL 40 3HG1 VAL 40 3.640 -7.639 29.227 323 HG21 VAL 40 3HG2 VAL 40 3.128 -7.461 31.660 324 HG22 VAL 40 1HG2 VAL 40 1.598 -8.069 32.290 325 HG23 VAL 40 2HG2 VAL 40 1.627 -6.605 31.308 326 H ASP 41 H ASP 41 1.386 -10.936 29.367 327 HA ASP 41 HA ASP 41 1.183 -10.992 26.576 328 HB2 ASP 41 2HB ASP 41 1.009 -13.692 27.514 329 HB3 ASP 41 1HB ASP 41 2.393 -12.862 26.830 330 H GLY 42 H GLY 42 -1.189 -11.820 29.018 331 HA2 GLY 42 2HA GLY 42 -3.052 -13.250 27.525 332 HA3 GLY 42 1HA GLY 42 -3.454 -12.164 28.844 333 H ALA 43 H ALA 43 -2.753 -9.709 27.830 334 HA ALA 43 HA ALA 43 -4.955 -9.032 26.198 335 HB1 ALA 43 3HB ALA 43 -2.439 -7.443 26.729 336 HB2 ALA 43 1HB ALA 43 -3.895 -7.442 27.725 337 HB3 ALA 43 2HB ALA 43 -3.952 -6.804 26.082 338 H PHE 44 H PHE 44 -1.519 -9.465 25.448 339 HA PHE 44 HA PHE 44 -1.491 -8.836 22.743 340 HD1 PHE 44 HD1 PHE 44 0.242 -12.522 22.273 341 HD2 PHE 44 HD2 PHE 44 1.464 -8.447 22.014 342 HE1 PHE 44 HE1 PHE 44 1.487 -13.029 20.213 343 HE2 PHE 44 HE2 PHE 44 2.707 -8.951 19.953 344 HZ PHE 44 HZ PHE 44 2.720 -11.243 19.050 345 HB2 PHE 44 2HB PHE 44 0.530 -9.327 24.055 346 HB3 PHE 44 1HB PHE 44 0.049 -11.013 24.190 347 H LEU 45 H LEU 45 -2.157 -11.997 24.254 348 HA LEU 45 HA LEU 45 -2.699 -13.427 21.897 349 HG LEU 45 HG LEU 45 -1.210 -14.139 24.379 350 HB2 LEU 45 2HB LEU 45 -3.671 -13.832 24.724 351 HB3 LEU 45 1HB LEU 45 -3.959 -14.983 23.432 352 HD11 LEU 45 1HD1 LEU 45 -2.402 -15.365 26.126 353 HD12 LEU 45 2HD1 LEU 45 -1.082 -16.320 25.453 354 HD13 LEU 45 3HD1 LEU 45 -2.748 -16.666 24.985 355 HD21 LEU 45 3HD2 LEU 45 -2.101 -16.349 22.519 356 HD22 LEU 45 1HD2 LEU 45 -0.447 -16.071 23.069 357 HD23 LEU 45 2HD2 LEU 45 -1.250 -14.874 22.055 358 H VAL 46 H VAL 46 -4.869 -11.529 23.983 359 HA VAL 46 HA VAL 46 -7.298 -12.203 22.739 360 HB VAL 46 HB VAL 46 -6.538 -9.585 24.068 361 HG11 VAL 46 1HG1 VAL 46 -9.272 -10.689 23.380 362 HG12 VAL 46 2HG1 VAL 46 -8.501 -9.272 22.663 363 HG13 VAL 46 3HG1 VAL 46 -8.969 -9.256 24.364 364 HG21 VAL 46 3HG2 VAL 46 -7.620 -10.495 26.050 365 HG22 VAL 46 1HG2 VAL 46 -6.314 -11.557 25.527 366 HG23 VAL 46 2HG2 VAL 46 -7.991 -11.991 25.190 367 H GLU 47 H GLU 47 -5.056 -9.509 22.036 368 HA GLU 47 HA GLU 47 -6.504 -8.424 19.865 369 HB2 GLU 47 2HB GLU 47 -3.531 -8.336 20.432 370 HB3 GLU 47 1HB GLU 47 -4.355 -7.341 19.239 371 HG2 GLU 47 2HG GLU 47 -4.860 -7.296 22.213 372 HG3 GLU 47 1HG GLU 47 -3.905 -6.122 21.310 373 H ALA 48 H ALA 48 -3.844 -10.793 19.947 374 HA ALA 48 HA ALA 48 -3.561 -11.215 17.197 375 HB1 ALA 48 3HB ALA 48 -2.545 -13.356 17.770 376 HB2 ALA 48 1HB ALA 48 -3.227 -13.265 19.396 377 HB3 ALA 48 2HB ALA 48 -2.002 -12.103 18.886 378 H LEU 49 H LEU 49 -5.745 -12.766 19.515 379 HA LEU 49 HA LEU 49 -6.953 -14.569 17.701 380 HG LEU 49 HG LEU 49 -9.862 -14.408 19.007 381 HB2 LEU 49 2HB LEU 49 -7.082 -14.860 20.121 382 HB3 LEU 49 1HB LEU 49 -8.003 -13.377 20.276 383 HD11 LEU 49 1HD1 LEU 49 -8.607 -15.996 17.668 384 HD12 LEU 49 2HD1 LEU 49 -9.860 -16.821 18.593 385 HD13 LEU 49 3HD1 LEU 49 -8.177 -16.910 19.116 386 HD21 LEU 49 3HD2 LEU 49 -10.594 -15.961 20.768 387 HD22 LEU 49 1HD2 LEU 49 -9.904 -14.481 21.434 388 HD23 LEU 49 2HD2 LEU 49 -8.959 -15.970 21.430 389 H LYS 50 H LYS 50 -8.222 -11.498 19.032 390 HA LYS 50 HA LYS 50 -10.669 -11.490 17.764 391 HB2 LYS 50 2HB LYS 50 -8.944 -9.267 18.798 392 HB3 LYS 50 1HB LYS 50 -10.471 -8.907 18.001 393 HG2 LYS 50 2HG LYS 50 -11.632 -10.343 19.652 394 HG3 LYS 50 1HG LYS 50 -10.090 -10.589 20.478 395 HD2 LYS 50 2HD LYS 50 -9.925 -8.257 21.015 396 HD3 LYS 50 1HD LYS 50 -11.308 -7.866 19.991 397 HE2 LYS 50 2HE LYS 50 -11.433 -9.604 22.460 398 HE3 LYS 50 1HE LYS 50 -11.836 -7.889 22.422 399 HZ1 LYS 50 3HZ LYS 50 -13.209 -9.999 20.841 400 HZ2 LYS 50 1HZ LYS 50 -13.607 -8.360 20.864 401 HZ3 LYS 50 2HZ LYS 50 -13.807 -9.297 22.257 402 H ARG 51 H ARG 51 -7.593 -10.462 16.339 403 HA ARG 51 HA ARG 51 -8.847 -8.986 14.224 404 HE ARG 51 HE ARG 51 -3.440 -11.360 13.172 405 HB2 ARG 51 2HB ARG 51 -6.699 -8.576 13.360 406 HB3 ARG 51 1HB ARG 51 -6.505 -8.598 15.105 407 HG2 ARG 51 2HG ARG 51 -5.590 -10.869 14.979 408 HG3 ARG 51 1HG ARG 51 -5.806 -10.854 13.225 409 HD2 ARG 51 2HD ARG 51 -4.378 -8.628 13.420 410 HD3 ARG 51 1HD ARG 51 -3.826 -9.388 14.912 411 HH11 ARG 51 1HH1 ARG 51 -2.681 -8.005 12.934 412 HH12 ARG 51 2HH1 ARG 51 -1.361 -8.270 11.852 413 HH21 ARG 51 1HH2 ARG 51 -1.740 -11.677 11.771 414 HH22 ARG 51 2HH2 ARG 51 -0.829 -10.323 11.213 415 H HIS 52 H HIS 52 -9.282 -12.058 14.670 416 HA HIS 52 HA HIS 52 -9.149 -12.765 11.803 417 HD1 HIS 52 HD1 HIS 52 -7.133 -13.946 15.239 418 HD2 HIS 52 HD2 HIS 52 -6.919 -15.128 11.262 419 HE1 HIS 52 HE1 HIS 52 -4.694 -14.298 14.771 420 HE2 HIS 52 HE2 HIS 52 -4.588 -14.750 12.306 421 HB2 HIS 52 2HB HIS 52 -9.408 -14.583 14.221 422 HB3 HIS 52 1HB HIS 52 -9.427 -15.123 12.545 423 HA PRO 53 HA PRO 53 -13.543 -12.136 11.574 424 HB2 PRO 53 2HB PRO 53 -14.142 -14.042 9.644 425 HB3 PRO 53 1HB PRO 53 -13.525 -12.422 9.310 426 HG2 PRO 53 2HG PRO 53 -12.034 -15.015 9.479 427 HG3 PRO 53 1HG PRO 53 -11.850 -13.689 8.314 428 HD2 PRO 53 2HD PRO 53 -10.124 -13.988 10.334 429 HD3 PRO 53 1HD PRO 53 -10.647 -12.370 9.816 430 H ASP 54 H ASP 54 -12.363 -15.465 11.897 431 HA ASP 54 HA ASP 54 -14.905 -16.462 12.860 432 HB2 ASP 54 2HB ASP 54 -12.199 -17.818 12.757 433 HB3 ASP 54 1HB ASP 54 -13.748 -18.613 13.035 434 H ALA 55 H ALA 55 -12.493 -14.705 14.337 435 HA ALA 55 HA ALA 55 -11.836 -16.043 16.678 436 HB1 ALA 55 3HB ALA 55 -10.768 -13.965 15.926 437 HB2 ALA 55 1HB ALA 55 -11.268 -13.883 17.614 438 HB3 ALA 55 2HB ALA 55 -12.220 -13.067 16.372 439 H THR 56 H THR 56 -14.608 -13.884 16.124 440 HA THR 56 HA THR 56 -15.674 -13.724 18.659 441 HB THR 56 HB THR 56 -16.616 -12.449 16.833 442 HG1 THR 56 HG1 THR 56 -18.104 -12.669 18.444 443 HG21 THR 56 3HG2 THR 56 -16.412 -14.097 15.034 444 HG22 THR 56 1HG2 THR 56 -18.064 -13.484 15.131 445 HG23 THR 56 2HG2 THR 56 -17.677 -15.079 15.774 446 H SER 57 H SER 57 -15.938 -16.438 16.415 447 HA SER 57 HA SER 57 -17.997 -17.859 17.733 448 HG SER 57 HG SER 57 -18.103 -20.142 16.945 449 HB2 SER 57 2HB SER 57 -17.386 -18.413 15.442 450 HB3 SER 57 1HB SER 57 -15.764 -18.876 15.951 451 H LYS 58 H LYS 58 -14.642 -17.481 18.485 452 HA LYS 58 HA LYS 58 -14.861 -19.594 20.538 453 HB2 LYS 58 2HB LYS 58 -12.322 -18.455 19.337 454 HB3 LYS 58 1HB LYS 58 -12.437 -19.792 20.480 455 HG2 LYS 58 2HG LYS 58 -13.925 -20.901 18.678 456 HG3 LYS 58 1HG LYS 58 -13.217 -19.713 17.586 457 HD2 LYS 58 2HD LYS 58 -10.998 -20.554 18.040 458 HD3 LYS 58 1HD LYS 58 -11.627 -21.646 19.282 459 HE2 LYS 58 2HE LYS 58 -12.154 -21.753 16.309 460 HE3 LYS 58 1HE LYS 58 -11.247 -22.919 17.275 461 HZ1 LYS 58 3HZ LYS 58 -13.327 -23.388 18.495 462 HZ2 LYS 58 1HZ LYS 58 -13.433 -23.770 16.851 463 HZ3 LYS 58 2HZ LYS 58 -14.164 -22.366 17.438 464 H ILE 59 H ILE 59 -15.452 -16.522 20.402 465 HA ILE 59 HA ILE 59 -14.151 -15.857 22.964 466 HB ILE 59 HB ILE 59 -15.676 -14.070 21.045 467 HG12 ILE 59 2HG1 ILE 59 -12.725 -14.164 21.761 468 HG13 ILE 59 1HG1 ILE 59 -13.427 -14.749 20.258 469 HG21 ILE 59 1HG2 ILE 59 -14.980 -12.209 22.503 470 HG22 ILE 59 2HG2 ILE 59 -14.286 -13.366 23.641 471 HG23 ILE 59 3HG2 ILE 59 -16.026 -13.350 23.350 472 HD11 ILE 59 3HD1 ILE 59 -13.384 -11.895 21.211 473 HD12 ILE 59 1HD1 ILE 59 -14.144 -12.463 19.724 474 HD13 ILE 59 2HD1 ILE 59 -12.397 -12.596 19.928 475 H GLY 60 H GLY 60 -17.349 -15.781 21.365 476 HA2 GLY 60 2HA GLY 60 -19.459 -16.188 22.161 477 HA3 GLY 60 1HA GLY 60 -18.693 -17.147 23.411 478 HA PRO 61 HA PRO 61 -20.394 -13.989 26.121 479 HB2 PRO 61 2HB PRO 61 -19.546 -15.024 28.473 480 HB3 PRO 61 1HB PRO 61 -20.884 -15.729 27.557 481 HG2 PRO 61 2HG PRO 61 -18.013 -16.594 27.684 482 HG3 PRO 61 1HG PRO 61 -19.484 -17.585 27.736 483 HD2 PRO 61 2HD PRO 61 -17.987 -17.250 25.480 484 HD3 PRO 61 1HD PRO 61 -19.737 -17.550 25.448 485 H GLY 62 H GLY 62 -16.984 -14.992 26.205 486 HA2 GLY 62 2HA GLY 62 -15.739 -12.627 26.015 487 HA3 GLY 62 1HA GLY 62 -16.209 -12.611 27.704 488 H VAL 63 H VAL 63 -13.584 -12.394 27.008 489 HA VAL 63 HA VAL 63 -12.278 -14.985 27.270 490 HB VAL 63 HB VAL 63 -11.096 -12.194 27.195 491 HG11 VAL 63 1HG1 VAL 63 -8.957 -13.292 26.757 492 HG12 VAL 63 2HG1 VAL 63 -9.722 -14.873 26.917 493 HG13 VAL 63 3HG1 VAL 63 -9.616 -13.797 28.312 494 HG21 VAL 63 3HG2 VAL 63 -12.218 -12.711 25.107 495 HG22 VAL 63 1HG2 VAL 63 -11.380 -14.259 25.004 496 HG23 VAL 63 2HG2 VAL 63 -10.471 -12.753 24.868 497 H ARG 64 H ARG 64 -11.929 -15.893 29.228 498 HA ARG 64 HA ARG 64 -11.963 -14.243 31.638 499 HE ARG 64 HE ARG 64 -12.439 -16.771 35.820 500 HB2 ARG 64 2HB ARG 64 -13.196 -16.434 31.507 501 HB3 ARG 64 1HB ARG 64 -11.638 -17.249 31.430 502 HG2 ARG 64 2HG ARG 64 -11.055 -16.346 33.632 503 HG3 ARG 64 1HG ARG 64 -12.608 -15.515 33.703 504 HD2 ARG 64 2HD ARG 64 -13.754 -17.697 33.592 505 HD3 ARG 64 1HD ARG 64 -12.185 -18.506 33.582 506 HH11 ARG 64 1HH1 ARG 64 -13.467 -19.844 34.653 507 HH12 ARG 64 2HH1 ARG 64 -13.622 -20.516 36.237 508 HH21 ARG 64 1HH2 ARG 64 -12.676 -17.623 37.839 509 HH22 ARG 64 2HH2 ARG 64 -13.221 -19.254 38.026 510 H ASN 65 H ASN 65 -9.770 -16.543 30.032 511 HA ASN 65 HA ASN 65 -7.471 -14.972 30.426 512 HB2 ASN 65 2HB ASN 65 -6.223 -16.504 31.987 513 HB3 ASN 65 1HB ASN 65 -7.529 -15.603 32.747 514 HD21 ASN 65 1HD2 ASN 65 -9.271 -16.687 33.556 515 HD22 ASN 65 2HD2 ASN 65 -9.341 -18.408 33.681 516 H PHE 66 H PHE 66 -5.427 -16.746 30.279 517 HA PHE 66 HA PHE 66 -6.143 -18.771 28.251 518 HD1 PHE 66 HD1 PHE 66 -5.547 -14.974 27.800 519 HD2 PHE 66 HD2 PHE 66 -5.319 -18.328 25.180 520 HE1 PHE 66 HE1 PHE 66 -6.851 -13.747 26.115 521 HE2 PHE 66 HE2 PHE 66 -6.618 -17.101 23.492 522 HZ PHE 66 HZ PHE 66 -7.390 -14.809 23.957 523 HB2 PHE 66 2HB PHE 66 -3.861 -16.782 28.105 524 HB3 PHE 66 1HB PHE 66 -3.938 -18.229 27.110 525 H GLU 67 H GLU 67 -5.078 -20.728 28.456 526 HA GLU 67 HA GLU 67 -3.007 -20.911 30.567 527 HB2 GLU 67 2HB GLU 67 -5.121 -22.100 31.136 528 HB3 GLU 67 1HB GLU 67 -4.923 -23.094 29.698 529 HG2 GLU 67 2HG GLU 67 -2.718 -23.853 30.645 530 HG3 GLU 67 1HG GLU 67 -3.147 -23.013 32.133 531 H VAL 68 H VAL 68 -1.238 -22.305 30.208 532 HA VAL 68 HA VAL 68 -0.726 -22.971 27.383 533 HB VAL 68 HB VAL 68 1.166 -22.645 29.727 534 HG11 VAL 68 1HG1 VAL 68 2.989 -22.925 28.124 535 HG12 VAL 68 2HG1 VAL 68 1.824 -23.268 26.845 536 HG13 VAL 68 3HG1 VAL 68 1.990 -24.376 28.207 537 HG21 VAL 68 3HG2 VAL 68 1.974 -20.684 28.481 538 HG22 VAL 68 1HG2 VAL 68 0.266 -20.537 28.892 539 HG23 VAL 68 2HG2 VAL 68 0.745 -20.963 27.249 540 H ARG 69 H ARG 69 -1.028 -25.061 26.815 541 HA ARG 69 HA ARG 69 -0.463 -27.178 28.795 542 HE ARG 69 HE ARG 69 -4.097 -27.469 30.014 543 HB2 ARG 69 2HB ARG 69 -2.905 -26.678 28.680 544 HB3 ARG 69 1HB ARG 69 -2.884 -27.124 26.983 545 HG2 ARG 69 2HG ARG 69 -2.358 -29.399 27.522 546 HG3 ARG 69 1HG ARG 69 -2.136 -28.993 29.226 547 HD2 ARG 69 2HD ARG 69 -4.720 -28.862 27.656 548 HD3 ARG 69 1HD ARG 69 -4.309 -30.026 28.916 549 HH11 ARG 69 1HH1 ARG 69 -6.558 -29.583 28.825 550 HH12 ARG 69 2HH1 ARG 69 -7.789 -28.857 29.797 551 HH21 ARG 69 1HH2 ARG 69 -5.667 -26.577 31.259 552 HH22 ARG 69 2HH2 ARG 69 -7.292 -27.167 31.162 553 H SER 70 H SER 70 -0.034 -29.302 27.869 554 HA SER 70 HA SER 70 2.037 -29.211 26.064 555 HG SER 70 HG SER 70 2.300 -31.892 28.125 556 HB2 SER 70 2HB SER 70 0.310 -31.614 26.704 557 HB3 SER 70 1HB SER 70 1.930 -31.667 26.007 558 H ALA 71 H ALA 71 2.422 -29.830 23.960 559 HA ALA 71 HA ALA 71 0.112 -30.391 22.206 560 HB1 ALA 71 3HB ALA 71 0.830 -28.066 21.891 561 HB2 ALA 71 1HB ALA 71 1.137 -29.036 20.450 562 HB3 ALA 71 2HB ALA 71 2.467 -28.618 21.531 563 H ASP 72 H ASP 72 0.758 -31.480 20.146 564 HA ASP 72 HA ASP 72 2.399 -33.742 20.744 565 HB2 ASP 72 2HB ASP 72 1.081 -32.935 18.145 566 HB3 ASP 72 1HB ASP 72 1.772 -34.519 18.493 567 H TYR 73 H TYR 73 3.282 -30.717 19.627 568 HA TYR 73 HA TYR 73 5.461 -31.716 17.933 569 HD1 TYR 73 HD1 TYR 73 5.519 -30.401 15.237 570 HD2 TYR 73 HD2 TYR 73 2.154 -29.429 17.669 571 HE1 TYR 73 HE1 TYR 73 4.028 -30.774 13.318 572 HE2 TYR 73 HE2 TYR 73 0.660 -29.801 15.752 573 HH TYR 73 HH TYR 73 1.578 -31.403 12.989 574 HB2 TYR 73 2HB TYR 73 4.420 -28.916 18.417 575 HB3 TYR 73 1HB TYR 73 5.810 -29.285 17.401 576 H GLY 74 H GLY 74 5.394 -31.944 20.941 577 HA2 GLY 74 2HA GLY 74 7.128 -32.010 22.498 578 HA3 GLY 74 1HA GLY 74 8.124 -31.073 21.394 579 H THR 75 H THR 75 6.450 -28.845 21.047 580 HA THR 75 HA THR 75 6.825 -27.404 23.516 581 HB THR 75 HB THR 75 5.971 -25.457 22.287 582 HG1 THR 75 HG1 THR 75 4.536 -25.898 20.788 583 HG21 THR 75 3HG2 THR 75 7.640 -25.379 20.473 584 HG22 THR 75 1HG2 THR 75 7.882 -27.117 20.634 585 HG23 THR 75 2HG2 THR 75 8.321 -26.039 21.960 586 H GLN 76 H GLN 76 4.777 -25.720 23.814 587 HA GLN 76 HA GLN 76 2.445 -27.432 24.365 588 HB2 GLN 76 2HB GLN 76 3.167 -24.752 25.583 589 HB3 GLN 76 1HB GLN 76 1.794 -25.750 26.033 590 HG2 GLN 76 2HG GLN 76 3.324 -26.163 27.717 591 HG3 GLN 76 1HG GLN 76 3.553 -27.535 26.637 592 HE21 GLN 76 1HE2 GLN 76 4.933 -24.565 27.825 593 HE22 GLN 76 2HE2 GLN 76 6.528 -24.847 27.234 594 H CYS 77 H CYS 77 0.419 -25.727 24.595 595 HA CYS 77 HA CYS 77 0.337 -23.971 22.236 596 HG CYS 77 HG CYS 77 -1.076 -27.676 21.058 597 HB2 CYS 77 2HB CYS 77 -1.732 -26.069 22.939 598 HB3 CYS 77 1HB CYS 77 -1.991 -24.788 21.761 599 H PHE 78 H PHE 78 -1.206 -22.267 22.379 600 HA PHE 78 HA PHE 78 -1.908 -21.486 25.085 601 HD1 PHE 78 HD2 PHE 78 -0.877 -19.008 25.673 602 HD2 PHE 78 HD1 PHE 78 -0.090 -19.966 21.596 603 HE1 PHE 78 HE2 PHE 78 1.415 -18.153 25.916 604 HE2 PHE 78 HE1 PHE 78 2.201 -19.106 21.836 605 HZ PHE 78 HZ PHE 78 2.956 -18.200 23.997 606 HB2 PHE 78 2HB PHE 78 -2.295 -20.084 22.424 607 HB3 PHE 78 1HB PHE 78 -2.713 -19.388 23.986 608 H TRP 79 H TRP 79 -3.766 -22.049 26.000 609 HA TRP 79 HA TRP 79 -5.939 -23.053 24.329 610 HD1 TRP 79 HD1 TRP 79 -3.131 -24.666 25.712 611 HE1 TRP 79 HE1 TRP 79 -3.042 -27.121 24.942 612 HE3 TRP 79 HE3 TRP 79 -8.104 -25.791 26.023 613 HZ2 TRP 79 HZ2 TRP 79 -4.842 -29.254 24.525 614 HZ3 TRP 79 HZ3 TRP 79 -8.844 -28.056 25.414 615 HH2 TRP 79 HH2 TRP 79 -7.244 -29.756 24.682 616 HB2 TRP 79 2HB TRP 79 -5.237 -23.415 27.232 617 HB3 TRP 79 1HB TRP 79 -6.833 -23.844 26.619 618 H ILE 80 H ILE 80 -7.910 -22.283 24.254 619 HA ILE 80 HA ILE 80 -8.351 -19.541 25.011 620 HB ILE 80 HB ILE 80 -10.133 -21.497 23.534 621 HG12 ILE 80 2HG1 ILE 80 -8.281 -19.350 22.457 622 HG13 ILE 80 1HG1 ILE 80 -7.975 -21.082 22.400 623 HG21 ILE 80 1HG2 ILE 80 -11.334 -19.524 22.724 624 HG22 ILE 80 2HG2 ILE 80 -10.319 -18.491 23.731 625 HG23 ILE 80 3HG2 ILE 80 -11.414 -19.652 24.482 626 HD11 ILE 80 3HD1 ILE 80 -8.756 -20.291 20.262 627 HD12 ILE 80 1HD1 ILE 80 -10.204 -19.616 21.009 628 HD13 ILE 80 2HD1 ILE 80 -9.959 -21.363 20.981 629 H LEU 81 H LEU 81 -8.575 -19.607 27.310 630 HA LEU 81 HA LEU 81 -10.709 -21.146 28.518 631 HG LEU 81 HG LEU 81 -8.096 -20.828 31.147 632 HB2 LEU 81 2HB LEU 81 -8.723 -19.138 29.536 633 HB3 LEU 81 1HB LEU 81 -10.109 -19.557 30.520 634 HD11 LEU 81 1HD1 LEU 81 -9.122 -23.074 31.105 635 HD12 LEU 81 2HD1 LEU 81 -10.333 -22.471 29.973 636 HD13 LEU 81 3HD1 LEU 81 -10.244 -21.809 31.604 637 HD21 LEU 81 3HD2 LEU 81 -7.191 -22.546 29.680 638 HD22 LEU 81 1HD2 LEU 81 -7.037 -20.954 28.937 639 HD23 LEU 81 2HD2 LEU 81 -8.300 -22.062 28.396 640 H ARG 82 H ARG 82 -12.782 -20.587 28.418 641 HA ARG 82 HA ARG 82 -13.491 -17.778 27.883 642 HE ARG 82 HE ARG 82 -12.334 -17.886 26.669 643 HB2 ARG 82 2HB ARG 82 -15.100 -20.315 27.541 644 HB3 ARG 82 1HB ARG 82 -15.690 -18.701 27.180 645 HG2 ARG 82 2HG ARG 82 -13.393 -20.100 25.811 646 HG3 ARG 82 1HG ARG 82 -15.015 -19.877 25.159 647 HD2 ARG 82 2HD ARG 82 -13.715 -18.206 24.140 648 HD3 ARG 82 1HD ARG 82 -14.609 -17.372 25.408 649 HH11 ARG 82 1HH1 ARG 82 -12.799 -16.753 23.460 650 HH12 ARG 82 2HH1 ARG 82 -11.327 -15.852 23.450 651 HH21 ARG 82 1HH2 ARG 82 -10.427 -16.784 26.644 652 HH22 ARG 82 2HH2 ARG 82 -9.990 -15.869 25.245 653 H THR 83 H THR 83 -15.094 -16.694 29.060 654 HA THR 83 HA THR 83 -15.320 -17.209 31.823 655 HB THR 83 HB THR 83 -17.180 -15.546 31.801 656 HG1 THR 83 HG1 THR 83 -17.978 -14.802 29.912 657 HG21 THR 83 3HG2 THR 83 -14.869 -14.755 31.928 658 HG22 THR 83 1HG2 THR 83 -15.851 -13.644 30.974 659 HG23 THR 83 2HG2 THR 83 -14.755 -14.765 30.168 660 H ASP 84 H ASP 84 -17.053 -18.452 29.125 661 HA ASP 84 HA ASP 84 -19.402 -19.446 30.154 662 HB2 ASP 84 2HB ASP 84 -18.770 -19.697 27.820 663 HB3 ASP 84 1HB ASP 84 -17.423 -20.743 28.258 664 H GLY 85 H GLY 85 -16.174 -20.952 30.330 665 HA2 GLY 85 2HA GLY 85 -15.810 -22.026 32.639 666 HA3 GLY 85 1HA GLY 85 -17.234 -22.966 32.216 667 H SER 86 H SER 86 -16.500 -23.187 29.394 668 HA SER 86 HA SER 86 -14.671 -25.441 29.631 669 HG SER 86 HG SER 86 -17.093 -24.374 26.568 670 HB2 SER 86 2HB SER 86 -15.303 -25.943 27.322 671 HB3 SER 86 1HB SER 86 -16.750 -25.627 28.279 672 H GLU 87 H GLU 87 -13.012 -25.742 27.831 673 HA GLU 87 HA GLU 87 -11.781 -23.196 27.022 674 HB2 GLU 87 2HB GLU 87 -9.545 -24.047 27.547 675 HB3 GLU 87 1HB GLU 87 -10.552 -23.954 28.982 676 HG2 GLU 87 2HG GLU 87 -10.087 -26.502 27.442 677 HG3 GLU 87 1HG GLU 87 -9.081 -25.983 28.791 678 H GLU 88 H GLU 88 -11.000 -23.116 24.997 679 HA GLU 88 HA GLU 88 -10.856 -25.628 23.448 680 HB2 GLU 88 2HB GLU 88 -11.259 -22.779 22.500 681 HB3 GLU 88 1HB GLU 88 -11.017 -24.150 21.427 682 HG2 GLU 88 2HG GLU 88 -13.062 -25.190 22.470 683 HG3 GLU 88 1HG GLU 88 -13.341 -23.644 23.271 684 H ARG 89 H ARG 89 -9.242 -24.935 21.369 685 HA ARG 89 HA ARG 89 -6.783 -23.799 22.508 686 HE ARG 89 HE ARG 89 -6.115 -28.838 19.020 687 HB2 ARG 89 2HB ARG 89 -5.431 -25.684 21.766 688 HB3 ARG 89 1HB ARG 89 -6.677 -26.241 22.878 689 HG2 ARG 89 2HG ARG 89 -8.025 -27.004 20.974 690 HG3 ARG 89 1HG ARG 89 -6.758 -26.470 19.870 691 HD2 ARG 89 2HD ARG 89 -5.198 -28.038 21.093 692 HD3 ARG 89 1HD ARG 89 -6.618 -28.681 21.920 693 HH11 ARG 89 1HH1 ARG 89 -7.768 -29.959 21.833 694 HH12 ARG 89 2HH1 ARG 89 -8.377 -31.367 21.040 695 HH21 ARG 89 1HH2 ARG 89 -6.913 -30.629 18.018 696 HH22 ARG 89 2HH2 ARG 89 -7.912 -31.737 18.893 697 H PHE 90 H PHE 90 -5.559 -22.651 21.056 698 HA PHE 90 HA PHE 90 -6.072 -23.084 18.186 699 HD1 PHE 90 HD1 PHE 90 -6.295 -20.538 21.413 700 HD2 PHE 90 HD2 PHE 90 -4.548 -19.064 17.816 701 HE1 PHE 90 HE1 PHE 90 -5.194 -18.741 22.683 702 HE2 PHE 90 HE2 PHE 90 -3.441 -17.273 19.085 703 HZ PHE 90 HZ PHE 90 -3.767 -17.104 21.516 704 HB2 PHE 90 2HB PHE 90 -6.113 -20.756 17.688 705 HB3 PHE 90 1HB PHE 90 -7.241 -21.004 19.012 706 H SER 91 H SER 91 -4.298 -23.378 17.004 707 HA SER 91 HA SER 91 -1.699 -23.095 18.320 708 HG SER 91 HG SER 91 -3.194 -25.464 15.579 709 HB2 SER 91 2HB SER 91 -0.875 -24.491 16.401 710 HB3 SER 91 1HB SER 91 -2.126 -25.272 17.368 711 H TYR 92 H TYR 92 -0.829 -21.149 18.102 712 HA TYR 92 HA TYR 92 -1.444 -19.210 16.231 713 HD1 TYR 92 HD1 TYR 92 0.361 -20.890 19.408 714 HD2 TYR 92 HD2 TYR 92 2.880 -18.583 16.868 715 HE1 TYR 92 HE1 TYR 92 2.333 -22.032 20.332 716 HE2 TYR 92 HE2 TYR 92 4.855 -19.721 17.782 717 HH TYR 92 HH TYR 92 5.504 -20.936 19.810 718 HB2 TYR 92 2HB TYR 92 0.594 -18.038 17.014 719 HB3 TYR 92 1HB TYR 92 -0.381 -18.669 18.335 720 H LYS 93 H LYS 93 0.757 -21.884 15.813 721 HA LYS 93 HA LYS 93 2.201 -20.694 13.615 722 HB2 LYS 93 2HB LYS 93 3.427 -22.682 13.489 723 HB3 LYS 93 1HB LYS 93 3.032 -22.553 15.195 724 HG2 LYS 93 2HG LYS 93 1.191 -24.156 14.881 725 HG3 LYS 93 1HG LYS 93 1.625 -24.300 13.176 726 HD2 LYS 93 2HD LYS 93 3.935 -25.016 13.962 727 HD3 LYS 93 1HD LYS 93 3.245 -25.138 15.583 728 HE2 LYS 93 2HE LYS 93 3.180 -27.322 14.636 729 HE3 LYS 93 1HE LYS 93 1.527 -26.710 14.620 730 HZ1 LYS 93 3HZ LYS 93 3.397 -26.839 12.312 731 HZ2 LYS 93 1HZ LYS 93 1.881 -26.089 12.265 732 HZ3 LYS 93 2HZ LYS 93 1.990 -27.751 12.533 733 H LYS 94 H LYS 94 -0.738 -22.511 13.957 734 HA LYS 94 HA LYS 94 -0.929 -23.268 11.170 735 HB2 LYS 94 2HB LYS 94 -2.840 -23.387 13.500 736 HB3 LYS 94 1HB LYS 94 -3.323 -23.841 11.873 737 HG2 LYS 94 2HG LYS 94 -0.942 -25.108 13.190 738 HG3 LYS 94 1HG LYS 94 -2.578 -25.683 13.505 739 HD2 LYS 94 2HD LYS 94 -1.267 -25.500 10.788 740 HD3 LYS 94 1HD LYS 94 -1.492 -26.978 11.728 741 HE2 LYS 94 2HE LYS 94 -3.643 -25.211 10.550 742 HE3 LYS 94 1HE LYS 94 -3.229 -26.854 10.065 743 HZ1 LYS 94 3HZ LYS 94 -3.964 -27.629 12.249 744 HZ2 LYS 94 1HZ LYS 94 -5.210 -26.830 11.428 745 HZ3 LYS 94 2HZ LYS 94 -4.390 -26.051 12.681 746 H CYS 95 H CYS 95 -1.786 -20.540 13.100 747 HA CYS 95 HA CYS 95 -3.782 -19.503 11.285 748 HG CYS 95 HG CYS 95 -4.053 -20.562 14.262 749 HB2 CYS 95 2HB CYS 95 -2.392 -18.185 13.637 750 HB3 CYS 95 1HB CYS 95 -3.767 -17.518 12.762 751 H VAL 96 H VAL 96 -1.962 -19.879 9.569 752 HA VAL 96 HA VAL 96 -0.619 -17.287 9.124 753 HB VAL 96 HB VAL 96 0.520 -19.974 8.301 754 HG11 VAL 96 1HG1 VAL 96 1.147 -18.138 6.814 755 HG12 VAL 96 2HG1 VAL 96 2.536 -18.704 7.741 756 HG13 VAL 96 3HG1 VAL 96 1.726 -17.205 8.197 757 HG21 VAL 96 3HG2 VAL 96 1.382 -18.174 10.567 758 HG22 VAL 96 1HG2 VAL 96 2.228 -19.622 10.028 759 HG23 VAL 96 2HG2 VAL 96 0.613 -19.752 10.727 760 H LEU 97 H LEU 97 -0.849 -20.233 7.160 761 HA LEU 97 HA LEU 97 -2.753 -19.115 5.304 762 HG LEU 97 HG LEU 97 -2.320 -18.390 2.930 763 HB2 LEU 97 2HB LEU 97 -0.521 -18.059 4.717 764 HB3 LEU 97 1HB LEU 97 0.056 -19.661 4.310 765 HD11 LEU 97 1HD1 LEU 97 0.581 -18.317 2.090 766 HD12 LEU 97 2HD1 LEU 97 -0.390 -16.940 2.614 767 HD13 LEU 97 3HD1 LEU 97 -0.788 -17.780 1.115 768 HD21 LEU 97 3HD2 LEU 97 -0.493 -20.670 2.136 769 HD22 LEU 97 1HD2 LEU 97 -1.805 -20.010 1.155 770 HD23 LEU 97 2HD2 LEU 97 -2.165 -20.816 2.679 771 H GLU 98 H GLU 98 -0.103 -21.525 5.301 772 HA GLU 98 HA GLU 98 -1.883 -23.533 4.190 773 HB2 GLU 98 2HB GLU 98 0.144 -24.949 4.079 774 HB3 GLU 98 1HB GLU 98 0.361 -23.401 3.278 775 HG2 GLU 98 2HG GLU 98 1.557 -22.579 5.299 776 HG3 GLU 98 1HG GLU 98 1.429 -24.198 5.984 777 H HIS 99 H HIS 99 -2.942 -25.041 5.340 778 HA HIS 99 HA HIS 99 -2.617 -25.220 8.212 779 HD1 HIS 99 HD1 HIS 99 -5.593 -25.322 4.968 780 HD2 HIS 99 HD2 HIS 99 -3.931 -28.978 6.032 781 HE1 HIS 99 HE1 HIS 99 -6.045 -26.853 3.035 782 HE2 HIS 99 HE2 HIS 99 -5.212 -29.100 3.790 783 HB2 HIS 99 2HB HIS 99 -4.448 -26.935 8.038 784 HB3 HIS 99 1HB HIS 99 -4.858 -25.369 7.353 785 H HIS 100 H HIS 100 -0.236 -25.872 7.238 786 HA HIS 100 HA HIS 100 -0.028 -28.696 6.554 787 HD1 HIS 100 HD1 HIS 100 4.055 -27.055 4.912 788 HD2 HIS 100 HD2 HIS 100 1.628 -30.297 5.833 789 HE1 HIS 100 HE1 HIS 100 5.319 -29.086 4.139 790 HE2 HIS 100 HE2 HIS 100 3.796 -31.026 4.630 791 HB2 HIS 100 2HB HIS 100 1.068 -26.853 5.246 792 HB3 HIS 100 1HB HIS 100 2.110 -26.558 6.629 793 H HIS 101 H HIS 101 0.856 -30.252 7.823 794 HA HIS 101 HA HIS 101 1.417 -29.677 10.603 795 HD1 HIS 101 HD1 HIS 101 -0.566 -32.258 11.938 796 HD2 HIS 101 HD2 HIS 101 -0.833 -31.708 7.829 797 HE1 HIS 101 HE1 HIS 101 -2.992 -32.532 11.381 798 HE2 HIS 101 HE2 HIS 101 -3.094 -32.395 8.877 799 HB2 HIS 101 2HB HIS 101 1.721 -32.301 9.110 800 HB3 HIS 101 1HB HIS 101 1.680 -32.091 10.855 801 H HIS 102 H HIS 102 3.300 -31.490 8.188 802 HA HIS 102 HA HIS 102 5.778 -31.125 9.595 803 HD1 HIS 102 HD1 HIS 102 7.998 -31.685 9.265 804 HD2 HIS 102 HD2 HIS 102 7.253 -33.779 5.760 805 HE1 HIS 102 HE1 HIS 102 10.238 -32.475 8.466 806 HE2 HIS 102 HE2 HIS 102 9.749 -33.856 6.429 807 HB2 HIS 102 2HB HIS 102 5.240 -33.182 8.342 808 HB3 HIS 102 1HB HIS 102 5.183 -32.265 6.846 809 H HIS 103 H HIS 103 5.620 -28.713 9.571 810 HA HIS 103 HA HIS 103 6.026 -27.337 7.053 811 HD1 HIS 103 HD1 HIS 103 7.559 -24.175 9.523 812 HD2 HIS 103 HD2 HIS 103 4.615 -24.617 6.622 813 HE1 HIS 103 HE1 HIS 103 7.554 -22.023 8.237 814 HE2 HIS 103 HE2 HIS 103 5.888 -22.379 6.385 815 HB2 HIS 103 2HB HIS 103 4.682 -26.378 8.920 816 HB3 HIS 103 1HB HIS 103 6.151 -26.241 9.876 817 H HIS 104 H HIS 104 8.055 -28.838 9.321 818 HA HIS 104 HA HIS 104 10.413 -27.618 8.056 819 HD1 HIS 104 HD1 HIS 104 13.229 -27.110 10.745 820 HD2 HIS 104 HD2 HIS 104 10.204 -24.779 9.115 821 HE1 HIS 104 HE1 HIS 104 14.301 -24.912 10.192 822 HE2 HIS 104 HE2 HIS 104 12.506 -23.610 9.008 823 HB2 HIS 104 2HB HIS 104 9.643 -27.201 10.764 824 HB3 HIS 104 1HB HIS 104 11.040 -28.270 10.799 Start of MODEL 15 1 HA MET 1 HA MET 1 1.380 4.906 1.649 2 H1 MET 1 1H MET 1 2.949 5.066 -0.133 3 H2 MET 1 2H MET 1 1.836 6.329 -0.253 4 H3 MET 1 3H MET 1 1.721 5.000 -1.295 5 HB2 MET 1 2HB MET 1 -0.714 4.689 -0.532 6 HB3 MET 1 1HB MET 1 -1.004 4.535 1.197 7 HG2 MET 1 2HG MET 1 -1.684 6.717 0.416 8 HG3 MET 1 1HG MET 1 -0.313 6.863 1.514 9 HE1 MET 1 3HE MET 1 -1.345 9.170 -0.522 10 HE2 MET 1 1HE MET 1 0.203 9.789 -1.094 11 HE3 MET 1 2HE MET 1 -0.010 9.393 0.612 12 H ALA 2 H ALA 2 2.296 2.994 2.212 13 HA ALA 2 HA ALA 2 2.107 0.676 0.458 14 HB1 ALA 2 3HB ALA 2 4.214 1.167 1.608 15 HB2 ALA 2 1HB ALA 2 3.577 -0.412 2.070 16 HB3 ALA 2 2HB ALA 2 3.414 0.961 3.166 17 H LYS 3 H LYS 3 0.448 -0.708 0.551 18 HA LYS 3 HA LYS 3 -1.239 -0.816 2.941 19 HB2 LYS 3 2HB LYS 3 -1.566 -1.750 0.105 20 HB3 LYS 3 1HB LYS 3 -2.569 -2.449 1.368 21 HG2 LYS 3 2HG LYS 3 -3.724 -0.627 0.255 22 HG3 LYS 3 1HG LYS 3 -3.413 -0.231 1.945 23 HD2 LYS 3 2HD LYS 3 -1.401 1.059 1.188 24 HD3 LYS 3 1HD LYS 3 -1.918 0.780 -0.477 25 HE2 LYS 3 2HE LYS 3 -2.641 2.975 0.320 26 HE3 LYS 3 1HE LYS 3 -4.022 1.936 -0.025 27 HZ1 LYS 3 3HZ LYS 3 -2.892 2.497 2.661 28 HZ2 LYS 3 1HZ LYS 3 -4.192 1.460 2.348 29 HZ3 LYS 3 2HZ LYS 3 -4.339 3.113 2.038 30 H ALA 4 H ALA 4 1.545 -2.188 2.314 31 HA ALA 4 HA ALA 4 0.809 -4.756 3.582 32 HB1 ALA 4 3HB ALA 4 1.840 -5.089 1.389 33 HB2 ALA 4 1HB ALA 4 2.890 -5.687 2.673 34 HB3 ALA 4 2HB ALA 4 3.243 -4.146 1.891 35 H GLN 5 H GLN 5 0.777 -3.590 5.616 36 HA GLN 5 HA GLN 5 3.241 -2.326 6.517 37 HB2 GLN 5 2HB GLN 5 0.562 -2.600 7.901 38 HB3 GLN 5 1HB GLN 5 1.904 -1.602 8.451 39 HG2 GLN 5 2HG GLN 5 1.729 -0.259 6.392 40 HG3 GLN 5 1HG GLN 5 0.360 -1.243 5.881 41 HE21 GLN 5 1HE2 GLN 5 0.926 -0.220 9.181 42 HE22 GLN 5 2HE2 GLN 5 -0.423 0.845 9.275 43 HA PRO 6 HA PRO 6 4.839 -5.669 8.933 44 HB2 PRO 6 2HB PRO 6 5.810 -4.357 11.136 45 HB3 PRO 6 1HB PRO 6 6.602 -4.344 9.556 46 HG2 PRO 6 2HG PRO 6 4.783 -2.293 10.778 47 HG3 PRO 6 1HG PRO 6 6.311 -2.050 9.906 48 HD2 PRO 6 2HD PRO 6 3.939 -1.676 8.705 49 HD3 PRO 6 1HD PRO 6 5.320 -2.374 7.829 50 H ILE 7 H ILE 7 4.862 -6.543 11.295 51 HA ILE 7 HA ILE 7 2.047 -6.703 12.093 52 HB ILE 7 HB ILE 7 4.402 -8.460 12.850 53 HG12 ILE 7 2HG1 ILE 7 3.069 -10.189 11.516 54 HG13 ILE 7 1HG1 ILE 7 2.101 -8.848 10.915 55 HG21 ILE 7 1HG2 ILE 7 2.800 -8.409 14.666 56 HG22 ILE 7 2HG2 ILE 7 2.727 -9.969 13.849 57 HG23 ILE 7 3HG2 ILE 7 1.478 -8.759 13.551 58 HD11 ILE 7 3HD1 ILE 7 3.824 -9.505 9.328 59 HD12 ILE 7 1HD1 ILE 7 5.070 -9.186 10.535 60 HD13 ILE 7 2HD1 ILE 7 4.089 -7.860 9.908 61 H GLU 8 H GLU 8 1.565 -5.072 13.502 62 HA GLU 8 HA GLU 8 3.267 -4.802 15.908 63 HB2 GLU 8 2HB GLU 8 2.883 -2.772 14.344 64 HB3 GLU 8 1HB GLU 8 1.255 -2.737 15.004 65 HG2 GLU 8 2HG GLU 8 3.725 -2.608 16.724 66 HG3 GLU 8 1HG GLU 8 2.950 -1.178 16.054 67 H ILE 9 H ILE 9 2.453 -5.855 17.587 68 HA ILE 9 HA ILE 9 -0.481 -6.033 17.916 69 HB ILE 9 HB ILE 9 1.556 -8.203 18.484 70 HG12 ILE 9 2HG1 ILE 9 -0.678 -8.066 16.435 71 HG13 ILE 9 1HG1 ILE 9 1.040 -7.914 16.085 72 HG21 ILE 9 1HG2 ILE 9 -0.389 -9.610 19.057 73 HG22 ILE 9 2HG2 ILE 9 -1.438 -8.199 18.899 74 HG23 ILE 9 3HG2 ILE 9 -0.203 -8.244 20.158 75 HD11 ILE 9 3HD1 ILE 9 0.225 -10.124 15.528 76 HD12 ILE 9 1HD1 ILE 9 -0.334 -10.359 17.185 77 HD13 ILE 9 2HD1 ILE 9 1.393 -10.211 16.848 78 H ALA 10 H ALA 10 -1.052 -4.902 19.660 79 HA ALA 10 HA ALA 10 -1.268 -4.221 21.817 80 HB1 ALA 10 3HB ALA 10 -1.392 -6.637 22.203 81 HB2 ALA 10 1HB ALA 10 -0.655 -5.794 23.567 82 HB3 ALA 10 2HB ALA 10 0.357 -6.688 22.432 83 H GLY 11 H GLY 11 1.172 -3.316 20.286 84 HA2 GLY 11 2HA GLY 11 2.483 -1.464 21.125 85 HA3 GLY 11 1HA GLY 11 2.658 -2.319 22.647 86 H HIS 12 H HIS 12 3.056 -4.631 20.352 87 HA HIS 12 HA HIS 12 5.990 -4.260 20.327 88 HD1 HIS 12 HD1 HIS 12 7.445 -6.255 22.312 89 HD2 HIS 12 HD2 HIS 12 3.322 -6.349 22.829 90 HE1 HIS 12 HE1 HIS 12 7.081 -6.299 24.791 91 HE2 HIS 12 HE2 HIS 12 4.590 -6.121 25.076 92 HB2 HIS 12 2HB HIS 12 4.381 -6.823 20.261 93 HB3 HIS 12 1HB HIS 12 6.137 -6.732 20.144 94 H GLU 13 H GLU 13 6.703 -3.603 18.427 95 HA GLU 13 HA GLU 13 5.233 -4.211 15.981 96 HB2 GLU 13 2HB GLU 13 6.763 -2.540 14.941 97 HB3 GLU 13 1HB GLU 13 5.828 -1.899 16.287 98 HG2 GLU 13 2HG GLU 13 7.776 -2.134 17.753 99 HG3 GLU 13 1HG GLU 13 8.712 -2.776 16.406 100 H PHE 14 H PHE 14 5.924 -5.548 14.424 101 HA PHE 14 HA PHE 14 8.636 -6.700 14.594 102 HD1 PHE 14 HD1 PHE 14 8.980 -8.733 16.282 103 HD2 PHE 14 HD2 PHE 14 4.762 -8.242 15.910 104 HE1 PHE 14 HE1 PHE 14 8.710 -9.242 18.675 105 HE2 PHE 14 HE2 PHE 14 4.492 -8.747 18.302 106 HZ PHE 14 HZ PHE 14 6.466 -9.249 19.687 107 HB2 PHE 14 2HB PHE 14 6.082 -8.218 13.990 108 HB3 PHE 14 1HB PHE 14 7.704 -8.896 14.029 109 H ALA 15 H ALA 15 9.733 -6.736 12.707 110 HA ALA 15 HA ALA 15 8.671 -5.415 10.419 111 HB1 ALA 15 3HB ALA 15 10.841 -5.832 9.395 112 HB2 ALA 15 1HB ALA 15 11.243 -6.973 10.680 113 HB3 ALA 15 2HB ALA 15 11.036 -5.261 11.054 114 H ARG 16 H ARG 16 9.247 -8.811 11.193 115 HA ARG 16 HA ARG 16 7.881 -9.566 8.680 116 HE ARG 16 HE ARG 16 12.380 -11.970 11.847 117 HB2 ARG 16 2HB ARG 16 9.310 -11.603 8.614 118 HB3 ARG 16 1HB ARG 16 10.225 -10.111 8.429 119 HG2 ARG 16 2HG ARG 16 10.805 -10.224 10.840 120 HG3 ARG 16 1HG ARG 16 9.992 -11.785 10.925 121 HD2 ARG 16 2HD ARG 16 11.573 -12.764 9.419 122 HD3 ARG 16 1HD ARG 16 12.291 -11.190 9.065 123 HH11 ARG 16 1HH1 ARG 16 14.005 -12.087 8.812 124 HH12 ARG 16 2HH1 ARG 16 15.568 -12.229 9.533 125 HH21 ARG 16 1HH2 ARG 16 14.395 -12.177 12.755 126 HH22 ARG 16 2HH2 ARG 16 15.786 -12.294 11.734 127 H LYS 17 H LYS 17 7.175 -11.986 8.831 128 HA LYS 17 HA LYS 17 5.226 -12.092 10.920 129 HB2 LYS 17 2HB LYS 17 5.466 -13.166 8.376 130 HB3 LYS 17 1HB LYS 17 5.659 -14.580 9.395 131 HG2 LYS 17 2HG LYS 17 3.302 -12.703 9.306 132 HG3 LYS 17 1HG LYS 17 3.363 -14.371 8.745 133 HD2 LYS 17 2HD LYS 17 3.934 -14.948 11.204 134 HD3 LYS 17 1HD LYS 17 3.337 -13.327 11.566 135 HE2 LYS 17 2HE LYS 17 1.829 -15.632 10.331 136 HE3 LYS 17 1HE LYS 17 1.518 -14.844 11.876 137 HZ1 LYS 17 3HZ LYS 17 1.245 -13.516 9.238 138 HZ2 LYS 17 1HZ LYS 17 0.790 -12.884 10.736 139 HZ3 LYS 17 2HZ LYS 17 -0.041 -14.207 10.084 140 H ALA 18 H ALA 18 8.154 -13.949 10.192 141 HA ALA 18 HA ALA 18 8.002 -15.916 12.148 142 HB1 ALA 18 3HB ALA 18 10.496 -14.564 11.114 143 HB2 ALA 18 1HB ALA 18 9.653 -15.905 10.337 144 HB3 ALA 18 2HB ALA 18 10.416 -16.137 11.911 145 H ASP 19 H ASP 19 8.858 -12.553 12.486 146 HA ASP 19 HA ASP 19 10.143 -12.598 14.981 147 HB2 ASP 19 2HB ASP 19 8.508 -10.509 13.550 148 HB3 ASP 19 1HB ASP 19 9.248 -10.195 15.108 149 H ALA 20 H ALA 20 6.719 -11.806 14.281 150 HA ALA 20 HA ALA 20 5.818 -11.678 16.921 151 HB1 ALA 20 3HB ALA 20 4.250 -12.531 14.483 152 HB2 ALA 20 1HB ALA 20 4.518 -10.869 15.011 153 HB3 ALA 20 2HB ALA 20 3.571 -11.969 16.012 154 H LEU 21 H LEU 21 5.954 -14.448 14.708 155 HA LEU 21 HA LEU 21 4.750 -16.355 16.388 156 HG LEU 21 HG LEU 21 4.973 -15.748 13.242 157 HB2 LEU 21 2HB LEU 21 6.908 -16.779 14.315 158 HB3 LEU 21 1HB LEU 21 5.891 -18.034 14.999 159 HD11 LEU 21 1HD1 LEU 21 6.149 -17.475 12.005 160 HD12 LEU 21 2HD1 LEU 21 4.423 -17.530 11.644 161 HD13 LEU 21 3HD1 LEU 21 5.136 -18.720 12.736 162 HD21 LEU 21 3HD2 LEU 21 3.266 -16.238 14.890 163 HD22 LEU 21 1HD2 LEU 21 3.373 -17.963 14.534 164 HD23 LEU 21 2HD2 LEU 21 2.764 -16.843 13.314 165 H ALA 22 H ALA 22 8.150 -15.384 16.049 166 HA ALA 22 HA ALA 22 9.269 -17.243 17.838 167 HB1 ALA 22 3HB ALA 22 10.607 -15.926 16.274 168 HB2 ALA 22 1HB ALA 22 11.189 -15.731 17.928 169 HB3 ALA 22 2HB ALA 22 10.228 -14.458 17.174 170 H PHE 23 H PHE 23 8.112 -13.913 18.393 171 HA PHE 23 HA PHE 23 8.739 -13.643 21.086 172 HD1 PHE 23 HD1 PHE 23 8.780 -10.743 21.666 173 HD2 PHE 23 HD2 PHE 23 4.841 -12.371 21.602 174 HE1 PHE 23 HE1 PHE 23 8.219 -9.468 23.695 175 HE2 PHE 23 HE2 PHE 23 4.279 -11.095 23.627 176 HZ PHE 23 HZ PHE 23 5.967 -9.641 24.674 177 HB2 PHE 23 2HB PHE 23 7.874 -11.817 19.651 178 HB3 PHE 23 1HB PHE 23 6.282 -12.567 19.673 179 H MET 24 H MET 24 5.675 -14.849 19.699 180 HA MET 24 HA MET 24 4.514 -15.582 22.171 181 HB2 MET 24 2HB MET 24 3.967 -16.543 19.357 182 HB3 MET 24 1HB MET 24 2.993 -17.003 20.748 183 HG2 MET 24 2HG MET 24 2.445 -14.647 21.138 184 HG3 MET 24 1HG MET 24 3.404 -14.200 19.726 185 HE1 MET 24 3HE MET 24 2.751 -16.398 17.592 186 HE2 MET 24 1HE MET 24 2.717 -14.669 17.249 187 HE3 MET 24 2HE MET 24 1.357 -15.690 16.777 188 H LYS 25 H LYS 25 6.497 -17.391 19.864 189 HA LYS 25 HA LYS 25 6.212 -19.941 21.015 190 HB2 LYS 25 2HB LYS 25 7.094 -19.684 18.788 191 HB3 LYS 25 1HB LYS 25 8.451 -18.737 19.379 192 HG2 LYS 25 2HG LYS 25 9.370 -20.683 20.491 193 HG3 LYS 25 1HG LYS 25 7.969 -21.646 20.019 194 HD2 LYS 25 2HD LYS 25 8.574 -21.611 17.739 195 HD3 LYS 25 1HD LYS 25 9.709 -20.281 17.975 196 HE2 LYS 25 2HE LYS 25 10.795 -22.501 17.636 197 HE3 LYS 25 1HE LYS 25 11.246 -21.699 19.137 198 HZ1 LYS 25 3HZ LYS 25 10.803 -24.067 19.438 199 HZ2 LYS 25 1HZ LYS 25 9.209 -23.852 18.910 200 HZ3 LYS 25 2HZ LYS 25 9.738 -23.117 20.339 201 H VAL 26 H VAL 26 8.480 -17.307 21.774 202 HA VAL 26 HA VAL 26 10.170 -18.737 23.521 203 HB VAL 26 HB VAL 26 9.423 -15.797 23.579 204 HG11 VAL 26 1HG1 VAL 26 10.295 -16.483 25.755 205 HG12 VAL 26 2HG1 VAL 26 11.464 -15.468 24.912 206 HG13 VAL 26 3HG1 VAL 26 11.700 -17.214 24.979 207 HG21 VAL 26 3HG2 VAL 26 11.587 -15.471 22.444 208 HG22 VAL 26 1HG2 VAL 26 10.485 -16.466 21.492 209 HG23 VAL 26 2HG2 VAL 26 11.808 -17.221 22.378 210 H MET 27 H MET 27 7.471 -16.535 24.440 211 HA MET 27 HA MET 27 7.471 -17.315 27.147 212 HB2 MET 27 2HB MET 27 5.302 -16.192 27.328 213 HB3 MET 27 1HB MET 27 6.451 -15.221 26.426 214 HG2 MET 27 2HG MET 27 5.386 -15.909 24.332 215 HG3 MET 27 1HG MET 27 4.221 -16.868 25.247 216 HE1 MET 27 3HE MET 27 3.273 -14.693 23.141 217 HE2 MET 27 1HE MET 27 2.000 -13.874 24.048 218 HE3 MET 27 2HE MET 27 2.153 -15.630 24.133 219 H LEU 28 H LEU 28 5.813 -18.669 24.357 220 HA LEU 28 HA LEU 28 4.026 -20.408 25.612 221 HG LEU 28 HG LEU 28 4.549 -22.942 23.812 222 HB2 LEU 28 2HB LEU 28 4.079 -20.019 23.196 223 HB3 LEU 28 1HB LEU 28 5.632 -20.824 23.083 224 HD11 LEU 28 1HD1 LEU 28 2.101 -23.099 23.804 225 HD12 LEU 28 2HD1 LEU 28 1.991 -21.352 23.577 226 HD13 LEU 28 3HD1 LEU 28 2.679 -22.008 25.063 227 HD21 LEU 28 3HD2 LEU 28 4.880 -22.466 21.441 228 HD22 LEU 28 1HD2 LEU 28 3.321 -21.644 21.378 229 HD23 LEU 28 2HD2 LEU 28 3.393 -23.375 21.701 230 H ASN 29 H ASN 29 7.446 -20.924 24.760 231 HA ASN 29 HA ASN 29 7.524 -23.518 26.029 232 HB2 ASN 29 2HB ASN 29 9.568 -21.788 24.654 233 HB3 ASN 29 1HB ASN 29 10.064 -23.212 25.563 234 HD21 ASN 29 1HD2 ASN 29 8.202 -22.082 22.831 235 HD22 ASN 29 2HD2 ASN 29 8.135 -23.600 22.013 236 H ARG 30 H ARG 30 7.566 -20.424 27.244 237 HA ARG 30 HA ARG 30 9.364 -20.924 29.467 238 HE ARG 30 HE ARG 30 10.356 -17.818 32.604 239 HB2 ARG 30 2HB ARG 30 8.727 -18.629 28.345 240 HB3 ARG 30 1HB ARG 30 7.334 -18.698 29.412 241 HG2 ARG 30 2HG ARG 30 10.199 -18.835 30.354 242 HG3 ARG 30 1HG ARG 30 9.244 -17.357 30.281 243 HD2 ARG 30 2HD ARG 30 7.677 -18.240 31.903 244 HD3 ARG 30 1HD ARG 30 8.506 -19.797 31.905 245 HH11 ARG 30 1HH1 ARG 30 7.481 -19.224 33.894 246 HH12 ARG 30 2HH1 ARG 30 7.990 -19.020 35.531 247 HH21 ARG 30 1HH2 ARG 30 10.985 -17.558 34.715 248 HH22 ARG 30 2HH2 ARG 30 9.952 -18.104 35.990 249 H TYR 31 H TYR 31 5.851 -20.710 28.938 250 HA TYR 31 HA TYR 31 5.231 -21.611 31.618 251 HD1 TYR 31 HD1 TYR 31 2.840 -19.938 32.537 252 HD2 TYR 31 HD2 TYR 31 4.198 -19.051 28.601 253 HE1 TYR 31 HE1 TYR 31 2.638 -17.533 33.014 254 HE2 TYR 31 HE2 TYR 31 4.003 -16.648 29.068 255 HH TYR 31 HH TYR 31 3.116 -15.109 30.498 256 HB2 TYR 31 2HB TYR 31 3.453 -21.294 29.183 257 HB3 TYR 31 1HB TYR 31 2.883 -21.670 30.803 258 H ARG 32 H ARG 32 4.460 -23.646 32.220 259 HA ARG 32 HA ARG 32 5.143 -25.850 30.403 260 HE ARG 32 HE ARG 32 5.389 -24.371 34.757 261 HB2 ARG 32 2HB ARG 32 4.461 -25.923 33.352 262 HB3 ARG 32 1HB ARG 32 5.137 -27.241 32.404 263 HG2 ARG 32 2HG ARG 32 7.246 -26.285 32.320 264 HG3 ARG 32 1HG ARG 32 6.632 -24.657 32.621 265 HD2 ARG 32 2HD ARG 32 6.757 -26.919 34.623 266 HD3 ARG 32 1HD ARG 32 7.811 -25.503 34.577 267 HH11 ARG 32 1HH1 ARG 32 6.862 -26.894 36.577 268 HH12 ARG 32 2HH1 ARG 32 5.912 -26.582 37.985 269 HH21 ARG 32 1HH2 ARG 32 4.197 -23.951 36.570 270 HH22 ARG 32 2HH2 ARG 32 4.426 -24.920 37.991 271 HA PRO 33 HA PRO 33 0.972 -27.231 29.627 272 HB2 PRO 33 2HB PRO 33 1.649 -29.870 30.828 273 HB3 PRO 33 1HB PRO 33 0.995 -29.489 29.230 274 HG2 PRO 33 2HG PRO 33 3.536 -30.189 29.532 275 HG3 PRO 33 1HG PRO 33 3.075 -28.951 28.359 276 HD2 PRO 33 2HD PRO 33 4.353 -28.653 31.048 277 HD3 PRO 33 1HD PRO 33 4.636 -27.735 29.554 278 H GLY 34 H GLY 34 0.405 -25.766 31.425 279 HA2 GLY 34 2HA GLY 34 -1.659 -26.570 32.969 280 HA3 GLY 34 1HA GLY 34 -0.289 -26.989 33.982 281 H ASP 35 H ASP 35 1.132 -24.509 32.805 282 HA ASP 35 HA ASP 35 0.321 -22.707 34.893 283 HB2 ASP 35 2HB ASP 35 2.332 -22.390 32.652 284 HB3 ASP 35 1HB ASP 35 2.089 -21.211 33.939 285 H ILE 36 H ILE 36 -0.701 -20.749 34.761 286 HA ILE 36 HA ILE 36 -2.283 -20.242 32.367 287 HB ILE 36 HB ILE 36 -2.346 -18.940 35.102 288 HG12 ILE 36 2HG1 ILE 36 -3.148 -21.267 35.074 289 HG13 ILE 36 1HG1 ILE 36 -4.475 -20.148 35.368 290 HG21 ILE 36 1HG2 ILE 36 -3.049 -17.330 33.418 291 HG22 ILE 36 2HG2 ILE 36 -4.439 -17.870 34.359 292 HG23 ILE 36 3HG2 ILE 36 -4.178 -18.502 32.732 293 HD11 ILE 36 3HD1 ILE 36 -5.142 -21.916 33.850 294 HD12 ILE 36 1HD1 ILE 36 -3.838 -21.486 32.744 295 HD13 ILE 36 2HD1 ILE 36 -5.162 -20.358 33.028 296 H VAL 37 H VAL 37 -1.966 -18.619 30.984 297 HA VAL 37 HA VAL 37 0.460 -17.162 30.933 298 HB VAL 37 HB VAL 37 -2.079 -16.742 29.329 299 HG11 VAL 37 1HG1 VAL 37 0.726 -15.770 28.774 300 HG12 VAL 37 2HG1 VAL 37 -0.647 -14.766 29.237 301 HG13 VAL 37 3HG1 VAL 37 -0.655 -15.611 27.689 302 HG21 VAL 37 3HG2 VAL 37 0.417 -18.320 28.678 303 HG22 VAL 37 1HG2 VAL 37 -0.956 -18.066 27.599 304 HG23 VAL 37 2HG2 VAL 37 -1.162 -18.997 29.083 305 H SER 38 H SER 38 0.937 -15.043 31.426 306 HA SER 38 HA SER 38 -0.575 -13.746 33.444 307 HG SER 38 HG SER 38 1.922 -11.168 33.458 308 HB2 SER 38 2HB SER 38 1.855 -13.486 33.302 309 HB3 SER 38 1HB SER 38 1.693 -12.655 31.755 310 H THR 39 H THR 39 -1.113 -11.331 33.270 311 HA THR 39 HA THR 39 -3.293 -11.076 31.489 312 HB THR 39 HB THR 39 -1.958 -8.937 33.171 313 HG1 THR 39 HG1 THR 39 -4.407 -9.981 33.931 314 HG21 THR 39 3HG2 THR 39 -4.700 -8.976 31.891 315 HG22 THR 39 1HG2 THR 39 -3.352 -7.946 31.412 316 HG23 THR 39 2HG2 THR 39 -4.097 -7.742 32.998 317 H VAL 40 H VAL 40 -0.170 -9.305 31.546 318 HA VAL 40 HA VAL 40 -0.617 -7.798 29.207 319 HB VAL 40 HB VAL 40 2.046 -8.734 30.319 320 HG11 VAL 40 1HG1 VAL 40 1.417 -6.449 28.437 321 HG12 VAL 40 2HG1 VAL 40 2.246 -7.947 28.014 322 HG13 VAL 40 3HG1 VAL 40 3.000 -6.809 29.129 323 HG21 VAL 40 3HG2 VAL 40 2.122 -6.538 31.431 324 HG22 VAL 40 1HG2 VAL 40 0.759 -7.508 31.991 325 HG23 VAL 40 2HG2 VAL 40 0.494 -6.191 30.849 326 H ASP 41 H ASP 41 1.203 -10.840 29.626 327 HA ASP 41 HA ASP 41 1.789 -11.447 26.992 328 HB2 ASP 41 2HB ASP 41 0.946 -13.365 29.181 329 HB3 ASP 41 1HB ASP 41 1.811 -13.806 27.714 330 H GLY 42 H GLY 42 -1.187 -12.186 28.806 331 HA2 GLY 42 2HA GLY 42 -2.535 -13.581 26.754 332 HA3 GLY 42 1HA GLY 42 -3.293 -12.802 28.132 333 H ALA 43 H ALA 43 -2.605 -10.134 27.643 334 HA ALA 43 HA ALA 43 -4.554 -9.256 25.853 335 HB1 ALA 43 3HB ALA 43 -2.088 -7.758 26.760 336 HB2 ALA 43 1HB ALA 43 -3.616 -7.853 27.636 337 HB3 ALA 43 2HB ALA 43 -3.546 -7.041 26.072 338 H PHE 44 H PHE 44 -1.076 -9.730 25.354 339 HA PHE 44 HA PHE 44 -0.897 -8.835 22.699 340 HD1 PHE 44 HD1 PHE 44 0.999 -12.295 21.893 341 HD2 PHE 44 HD2 PHE 44 2.109 -8.202 22.323 342 HE1 PHE 44 HE1 PHE 44 2.372 -12.452 19.859 343 HE2 PHE 44 HE2 PHE 44 3.479 -8.359 20.287 344 HZ PHE 44 HZ PHE 44 3.614 -10.485 19.053 345 HB2 PHE 44 2HB PHE 44 1.054 -9.380 24.142 346 HB3 PHE 44 1HB PHE 44 0.653 -11.089 24.012 347 H LEU 45 H LEU 45 -1.619 -12.058 24.005 348 HA LEU 45 HA LEU 45 -1.968 -13.406 21.562 349 HG LEU 45 HG LEU 45 -0.629 -14.234 24.035 350 HB2 LEU 45 2HB LEU 45 -3.124 -13.919 24.303 351 HB3 LEU 45 1HB LEU 45 -3.344 -15.015 22.950 352 HD11 LEU 45 1HD1 LEU 45 -2.251 -16.716 24.611 353 HD12 LEU 45 2HD1 LEU 45 -1.908 -15.418 25.757 354 HD13 LEU 45 3HD1 LEU 45 -0.592 -16.413 25.130 355 HD21 LEU 45 3HD2 LEU 45 -0.606 -14.985 21.720 356 HD22 LEU 45 1HD2 LEU 45 -1.522 -16.428 22.159 357 HD23 LEU 45 2HD2 LEU 45 0.119 -16.205 22.768 358 H VAL 46 H VAL 46 -4.276 -11.564 23.536 359 HA VAL 46 HA VAL 46 -6.613 -12.217 22.102 360 HB VAL 46 HB VAL 46 -5.982 -9.667 23.611 361 HG11 VAL 46 1HG1 VAL 46 -8.649 -10.745 22.681 362 HG12 VAL 46 2HG1 VAL 46 -7.835 -9.307 22.067 363 HG13 VAL 46 3HG1 VAL 46 -8.421 -9.345 23.730 364 HG21 VAL 46 3HG2 VAL 46 -7.240 -10.697 25.447 365 HG22 VAL 46 1HG2 VAL 46 -5.842 -11.672 25.005 366 HG23 VAL 46 2HG2 VAL 46 -7.454 -12.161 24.486 367 H GLU 47 H GLU 47 -4.460 -9.370 21.747 368 HA GLU 47 HA GLU 47 -5.724 -8.309 19.460 369 HB2 GLU 47 2HB GLU 47 -2.848 -8.051 20.375 370 HB3 GLU 47 1HB GLU 47 -3.568 -7.094 19.087 371 HG2 GLU 47 2HG GLU 47 -4.398 -7.099 21.987 372 HG3 GLU 47 1HG GLU 47 -3.488 -5.838 21.158 373 H ALA 48 H ALA 48 -3.097 -10.669 19.786 374 HA ALA 48 HA ALA 48 -2.539 -11.001 17.035 375 HB1 ALA 48 3HB ALA 48 -1.519 -13.134 17.699 376 HB2 ALA 48 1HB ALA 48 -2.272 -12.999 19.289 377 HB3 ALA 48 2HB ALA 48 -1.054 -11.826 18.787 378 H LEU 49 H LEU 49 -4.958 -12.452 19.151 379 HA LEU 49 HA LEU 49 -5.927 -14.388 17.309 380 HG LEU 49 HG LEU 49 -8.956 -14.246 18.261 381 HB2 LEU 49 2HB LEU 49 -6.319 -14.543 19.720 382 HB3 LEU 49 1HB LEU 49 -7.286 -13.081 19.676 383 HD11 LEU 49 1HD1 LEU 49 -7.507 -15.866 17.175 384 HD12 LEU 49 2HD1 LEU 49 -8.829 -16.688 18.005 385 HD13 LEU 49 3HD1 LEU 49 -7.212 -16.670 18.714 386 HD21 LEU 49 3HD2 LEU 49 -9.861 -15.681 20.019 387 HD22 LEU 49 1HD2 LEU 49 -9.230 -14.177 20.689 388 HD23 LEU 49 2HD2 LEU 49 -8.300 -15.670 20.843 389 H LYS 50 H LYS 50 -6.913 -11.065 18.076 390 HA LYS 50 HA LYS 50 -9.279 -10.909 16.636 391 HB2 LYS 50 2HB LYS 50 -7.213 -8.804 17.267 392 HB3 LYS 50 1HB LYS 50 -8.744 -8.422 16.491 393 HG2 LYS 50 2HG LYS 50 -9.966 -9.258 18.407 394 HG3 LYS 50 1HG LYS 50 -8.460 -9.751 19.183 395 HD2 LYS 50 2HD LYS 50 -7.744 -7.450 19.363 396 HD3 LYS 50 1HD LYS 50 -9.136 -6.902 18.426 397 HE2 LYS 50 2HE LYS 50 -9.321 -8.311 21.092 398 HE3 LYS 50 1HE LYS 50 -9.372 -6.562 20.884 399 HZ1 LYS 50 3HZ LYS 50 -11.284 -8.460 19.648 400 HZ2 LYS 50 1HZ LYS 50 -11.358 -6.774 19.581 401 HZ3 LYS 50 2HZ LYS 50 -11.583 -7.575 21.052 402 H ARG 51 H ARG 51 -5.986 -10.747 15.376 403 HA ARG 51 HA ARG 51 -6.940 -9.909 12.756 404 HE ARG 51 HE ARG 51 -2.357 -10.719 11.520 405 HB2 ARG 51 2HB ARG 51 -4.606 -9.958 12.056 406 HB3 ARG 51 1HB ARG 51 -4.790 -9.051 13.548 407 HG2 ARG 51 2HG ARG 51 -3.949 -10.975 14.815 408 HG3 ARG 51 1HG ARG 51 -3.747 -11.871 13.306 409 HD2 ARG 51 2HD ARG 51 -2.347 -9.306 14.081 410 HD3 ARG 51 1HD ARG 51 -1.622 -10.911 14.012 411 HH11 ARG 51 1HH1 ARG 51 -1.078 -8.187 13.487 412 HH12 ARG 51 2HH1 ARG 51 -0.392 -7.345 12.146 413 HH21 ARG 51 1HH2 ARG 51 -1.471 -9.617 9.805 414 HH22 ARG 51 2HH2 ARG 51 -0.596 -8.150 10.090 415 H HIS 52 H HIS 52 -7.646 -12.576 14.052 416 HA HIS 52 HA HIS 52 -7.039 -14.237 11.681 417 HD1 HIS 52 HD1 HIS 52 -5.276 -14.212 15.293 418 HD2 HIS 52 HD2 HIS 52 -5.192 -16.968 12.185 419 HE1 HIS 52 HE1 HIS 52 -2.888 -14.958 15.123 420 HE2 HIS 52 HE2 HIS 52 -2.896 -16.745 13.355 421 HB2 HIS 52 2HB HIS 52 -7.622 -15.051 14.539 422 HB3 HIS 52 1HB HIS 52 -7.676 -16.188 13.196 423 HA PRO 53 HA PRO 53 -11.218 -13.843 10.401 424 HB2 PRO 53 2HB PRO 53 -11.730 -16.437 9.513 425 HB3 PRO 53 1HB PRO 53 -10.928 -15.172 8.576 426 HG2 PRO 53 2HG PRO 53 -9.726 -17.411 10.157 427 HG3 PRO 53 1HG PRO 53 -9.237 -16.759 8.581 428 HD2 PRO 53 2HD PRO 53 -7.885 -16.145 10.807 429 HD3 PRO 53 1HD PRO 53 -8.149 -14.931 9.536 430 H ASP 54 H ASP 54 -10.691 -16.893 12.216 431 HA ASP 54 HA ASP 54 -13.465 -16.952 13.065 432 HB2 ASP 54 2HB ASP 54 -11.163 -18.782 13.788 433 HB3 ASP 54 1HB ASP 54 -12.863 -19.078 14.143 434 H ALA 55 H ALA 55 -11.349 -14.884 14.082 435 HA ALA 55 HA ALA 55 -10.728 -15.241 16.746 436 HB1 ALA 55 3HB ALA 55 -9.961 -13.350 15.380 437 HB2 ALA 55 1HB ALA 55 -10.624 -12.819 16.926 438 HB3 ALA 55 2HB ALA 55 -11.578 -12.650 15.451 439 H THR 56 H THR 56 -13.542 -13.299 15.683 440 HA THR 56 HA THR 56 -14.810 -13.046 18.128 441 HB THR 56 HB THR 56 -15.552 -11.759 16.223 442 HG1 THR 56 HG1 THR 56 -17.841 -12.080 16.481 443 HG21 THR 56 3HG2 THR 56 -15.243 -13.430 14.461 444 HG22 THR 56 1HG2 THR 56 -16.870 -12.747 14.405 445 HG23 THR 56 2HG2 THR 56 -16.610 -14.354 15.083 446 H SER 57 H SER 57 -15.017 -15.752 15.858 447 HA SER 57 HA SER 57 -17.175 -17.113 17.083 448 HG SER 57 HG SER 57 -17.442 -17.660 14.432 449 HB2 SER 57 2HB SER 57 -14.906 -18.316 15.465 450 HB3 SER 57 1HB SER 57 -16.470 -19.064 15.782 451 H LYS 58 H LYS 58 -13.746 -17.011 17.811 452 HA LYS 58 HA LYS 58 -14.037 -19.208 19.738 453 HB2 LYS 58 2HB LYS 58 -11.532 -17.806 18.775 454 HB3 LYS 58 1HB LYS 58 -11.577 -19.190 19.863 455 HG2 LYS 58 2HG LYS 58 -12.410 -19.106 16.967 456 HG3 LYS 58 1HG LYS 58 -11.055 -19.989 17.675 457 HD2 LYS 58 2HD LYS 58 -12.595 -21.427 18.896 458 HD3 LYS 58 1HD LYS 58 -13.972 -20.503 18.299 459 HE2 LYS 58 2HE LYS 58 -13.362 -21.175 15.989 460 HE3 LYS 58 1HE LYS 58 -12.072 -22.178 16.653 461 HZ1 LYS 58 3HZ LYS 58 -14.072 -23.461 16.186 462 HZ2 LYS 58 1HZ LYS 58 -14.968 -22.488 17.240 463 HZ3 LYS 58 2HZ LYS 58 -13.727 -23.467 17.842 464 H ILE 59 H ILE 59 -13.966 -15.801 19.674 465 HA ILE 59 HA ILE 59 -13.189 -15.522 22.462 466 HB ILE 59 HB ILE 59 -14.321 -13.509 20.497 467 HG12 ILE 59 2HG1 ILE 59 -11.505 -13.878 21.571 468 HG13 ILE 59 1HG1 ILE 59 -12.046 -14.327 19.959 469 HG21 ILE 59 1HG2 ILE 59 -13.675 -11.788 22.140 470 HG22 ILE 59 2HG2 ILE 59 -13.256 -13.060 23.289 471 HG23 ILE 59 3HG2 ILE 59 -14.928 -12.864 22.762 472 HD11 ILE 59 3HD1 ILE 59 -10.826 -12.255 19.886 473 HD12 ILE 59 1HD1 ILE 59 -11.902 -11.540 21.086 474 HD13 ILE 59 2HD1 ILE 59 -12.520 -11.962 19.487 475 H GLY 60 H GLY 60 -16.175 -15.233 20.534 476 HA2 GLY 60 2HA GLY 60 -18.392 -15.406 21.100 477 HA3 GLY 60 1HA GLY 60 -17.861 -16.362 22.471 478 HA PRO 61 HA PRO 61 -19.509 -12.862 24.792 479 HB2 PRO 61 2HB PRO 61 -19.226 -13.908 27.261 480 HB3 PRO 61 1HB PRO 61 -20.478 -14.475 26.149 481 HG2 PRO 61 2HG PRO 61 -17.807 -15.693 26.775 482 HG3 PRO 61 1HG PRO 61 -19.388 -16.484 26.615 483 HD2 PRO 61 2HD PRO 61 -17.521 -16.448 24.619 484 HD3 PRO 61 1HD PRO 61 -19.267 -16.536 24.315 485 H GLY 62 H GLY 62 -16.321 -14.272 25.146 486 HA2 GLY 62 2HA GLY 62 -14.736 -12.143 25.263 487 HA3 GLY 62 1HA GLY 62 -15.380 -12.121 26.896 488 H VAL 63 H VAL 63 -12.641 -12.382 26.284 489 HA VAL 63 HA VAL 63 -12.001 -15.197 26.823 490 HB VAL 63 HB VAL 63 -10.139 -12.878 26.241 491 HG11 VAL 63 1HG1 VAL 63 -9.035 -14.615 27.548 492 HG12 VAL 63 2HG1 VAL 63 -8.426 -14.610 25.893 493 HG13 VAL 63 3HG1 VAL 63 -9.578 -15.844 26.405 494 HG21 VAL 63 3HG2 VAL 63 -11.546 -13.405 24.318 495 HG22 VAL 63 1HG2 VAL 63 -11.087 -15.105 24.427 496 HG23 VAL 63 2HG2 VAL 63 -9.877 -13.888 24.019 497 H ARG 64 H ARG 64 -11.526 -15.892 28.820 498 HA ARG 64 HA ARG 64 -11.337 -14.009 31.024 499 HE ARG 64 HE ARG 64 -10.917 -15.273 35.409 500 HB2 ARG 64 2HB ARG 64 -12.622 -16.239 31.016 501 HB3 ARG 64 1HB ARG 64 -11.060 -17.019 31.193 502 HG2 ARG 64 2HG ARG 64 -11.973 -14.909 33.127 503 HG3 ARG 64 1HG ARG 64 -12.487 -16.586 33.289 504 HD2 ARG 64 2HD ARG 64 -10.134 -17.286 33.403 505 HD3 ARG 64 1HD ARG 64 -9.633 -15.599 33.270 506 HH11 ARG 64 1HH1 ARG 64 -9.582 -18.351 34.603 507 HH12 ARG 64 2HH1 ARG 64 -9.401 -18.822 36.256 508 HH21 ARG 64 1HH2 ARG 64 -10.722 -15.913 37.516 509 HH22 ARG 64 2HH2 ARG 64 -10.057 -17.468 37.883 510 H ASN 65 H ASN 65 -9.302 -16.685 29.786 511 HA ASN 65 HA ASN 65 -6.953 -15.090 29.805 512 HB2 ASN 65 2HB ASN 65 -5.652 -16.357 31.496 513 HB3 ASN 65 1HB ASN 65 -6.985 -15.457 32.207 514 HD21 ASN 65 1HD2 ASN 65 -7.044 -16.753 34.020 515 HD22 ASN 65 2HD2 ASN 65 -7.622 -18.380 33.986 516 H PHE 66 H PHE 66 -4.945 -16.870 29.739 517 HA PHE 66 HA PHE 66 -5.776 -18.939 27.798 518 HD1 PHE 66 HD1 PHE 66 -4.725 -15.192 27.577 519 HD2 PHE 66 HD2 PHE 66 -4.924 -18.360 24.733 520 HE1 PHE 66 HE1 PHE 66 -5.855 -13.693 25.989 521 HE2 PHE 66 HE2 PHE 66 -6.054 -16.862 23.142 522 HZ PHE 66 HZ PHE 66 -6.525 -14.526 23.770 523 HB2 PHE 66 2HB PHE 66 -3.279 -17.224 27.737 524 HB3 PHE 66 1HB PHE 66 -3.574 -18.588 26.668 525 H GLU 67 H GLU 67 -4.806 -20.947 27.961 526 HA GLU 67 HA GLU 67 -2.857 -21.326 30.158 527 HB2 GLU 67 2HB GLU 67 -5.128 -22.271 30.639 528 HB3 GLU 67 1HB GLU 67 -4.943 -23.329 29.245 529 HG2 GLU 67 2HG GLU 67 -2.952 -24.330 30.305 530 HG3 GLU 67 1HG GLU 67 -3.213 -23.309 31.718 531 H VAL 68 H VAL 68 -1.016 -22.468 29.687 532 HA VAL 68 HA VAL 68 -0.590 -23.142 26.875 533 HB VAL 68 HB VAL 68 1.360 -22.944 29.177 534 HG11 VAL 68 1HG1 VAL 68 1.908 -23.477 26.251 535 HG12 VAL 68 2HG1 VAL 68 2.153 -24.606 27.583 536 HG13 VAL 68 3HG1 VAL 68 3.130 -23.143 27.479 537 HG21 VAL 68 3HG2 VAL 68 2.162 -20.944 27.958 538 HG22 VAL 68 1HG2 VAL 68 0.491 -20.786 28.496 539 HG23 VAL 68 2HG2 VAL 68 0.844 -21.141 26.805 540 H ARG 69 H ARG 69 -0.772 -25.128 26.141 541 HA ARG 69 HA ARG 69 0.014 -27.413 27.824 542 HE ARG 69 HE ARG 69 -4.615 -26.694 29.955 543 HB2 ARG 69 2HB ARG 69 -2.487 -27.358 26.112 544 HB3 ARG 69 1HB ARG 69 -1.909 -28.717 27.063 545 HG2 ARG 69 2HG ARG 69 -2.281 -27.429 29.121 546 HG3 ARG 69 1HG ARG 69 -2.882 -26.079 28.155 547 HD2 ARG 69 2HD ARG 69 -4.625 -27.639 27.234 548 HD3 ARG 69 1HD ARG 69 -4.095 -28.830 28.424 549 HH11 ARG 69 1HH1 ARG 69 -6.443 -28.330 27.553 550 HH12 ARG 69 2HH1 ARG 69 -7.960 -27.793 28.182 551 HH21 ARG 69 1HH2 ARG 69 -6.567 -26.016 30.768 552 HH22 ARG 69 2HH2 ARG 69 -8.032 -26.511 29.985 553 H SER 70 H SER 70 -0.459 -29.456 26.052 554 HA SER 70 HA SER 70 1.570 -29.001 24.031 555 HG SER 70 HG SER 70 1.973 -32.376 23.578 556 HB2 SER 70 2HB SER 70 1.539 -31.118 25.291 557 HB3 SER 70 1HB SER 70 -0.054 -31.493 24.631 558 H ALA 71 H ALA 71 1.155 -29.997 21.794 559 HA ALA 71 HA ALA 71 -1.546 -29.324 20.797 560 HB1 ALA 71 3HB ALA 71 -0.558 -28.297 18.810 561 HB2 ALA 71 1HB ALA 71 1.061 -28.597 19.447 562 HB3 ALA 71 2HB ALA 71 -0.021 -27.476 20.276 563 H ASP 72 H ASP 72 1.490 -30.611 19.387 564 HA ASP 72 HA ASP 72 -0.054 -32.887 18.308 565 HB2 ASP 72 2HB ASP 72 2.617 -31.761 17.416 566 HB3 ASP 72 1HB ASP 72 1.800 -33.139 16.683 567 H TYR 73 H TYR 73 3.406 -32.470 19.082 568 HA TYR 73 HA TYR 73 3.256 -34.726 20.981 569 HD1 TYR 73 HD2 TYR 73 3.878 -34.553 16.945 570 HD2 TYR 73 HD1 TYR 73 3.952 -37.558 19.966 571 HE1 TYR 73 HE2 TYR 73 2.655 -36.075 15.453 572 HE2 TYR 73 HE1 TYR 73 2.729 -39.087 18.476 573 HH TYR 73 HH TYR 73 1.356 -39.097 16.562 574 HB2 TYR 73 2HB TYR 73 5.391 -34.380 18.854 575 HB3 TYR 73 1HB TYR 73 5.405 -35.604 20.115 576 H GLY 74 H GLY 74 5.900 -32.709 19.699 577 HA2 GLY 74 2HA GLY 74 6.564 -31.847 22.441 578 HA3 GLY 74 1HA GLY 74 7.634 -31.765 21.050 579 H THR 75 H THR 75 4.967 -30.749 19.694 580 HA THR 75 HA THR 75 5.551 -27.945 19.926 581 HB THR 75 HB THR 75 3.604 -27.637 18.400 582 HG1 THR 75 HG1 THR 75 2.437 -29.404 17.713 583 HG21 THR 75 3HG2 THR 75 5.836 -28.068 17.473 584 HG22 THR 75 1HG2 THR 75 4.576 -28.777 16.464 585 HG23 THR 75 2HG2 THR 75 5.527 -29.803 17.537 586 H GLN 76 H GLN 76 4.665 -26.513 21.292 587 HA GLN 76 HA GLN 76 2.419 -27.324 22.986 588 HB2 GLN 76 2HB GLN 76 4.343 -24.996 23.120 589 HB3 GLN 76 1HB GLN 76 2.975 -25.177 24.209 590 HG2 GLN 76 2HG GLN 76 3.883 -27.170 25.149 591 HG3 GLN 76 1HG GLN 76 5.146 -27.242 23.920 592 HE21 GLN 76 1HE2 GLN 76 4.026 -25.559 26.764 593 HE22 GLN 76 2HE2 GLN 76 5.518 -24.781 27.136 594 H CYS 77 H CYS 77 0.682 -25.727 23.440 595 HA CYS 77 HA CYS 77 0.132 -23.829 21.275 596 HG CYS 77 HG CYS 77 -3.300 -23.738 21.652 597 HB2 CYS 77 2HB CYS 77 -0.905 -25.893 20.491 598 HB3 CYS 77 1HB CYS 77 -1.748 -26.085 22.024 599 H PHE 78 H PHE 78 -1.317 -22.186 21.800 600 HA PHE 78 HA PHE 78 -1.801 -21.768 24.635 601 HD1 PHE 78 HD2 PHE 78 -0.790 -19.399 25.522 602 HD2 PHE 78 HD1 PHE 78 -0.235 -19.668 21.303 603 HE1 PHE 78 HE2 PHE 78 1.484 -18.493 25.765 604 HE2 PHE 78 HE1 PHE 78 2.041 -18.762 21.545 605 HZ PHE 78 HZ PHE 78 2.903 -18.171 23.779 606 HB2 PHE 78 2HB PHE 78 -2.371 -20.029 22.221 607 HB3 PHE 78 1HB PHE 78 -2.726 -19.558 23.879 608 H TRP 79 H TRP 79 -3.656 -22.233 25.643 609 HA TRP 79 HA TRP 79 -6.029 -22.899 24.042 610 HD1 TRP 79 HD1 TRP 79 -3.198 -24.826 25.252 611 HE1 TRP 79 HE1 TRP 79 -3.239 -27.217 24.290 612 HE3 TRP 79 HE3 TRP 79 -8.227 -25.728 25.523 613 HZ2 TRP 79 HZ2 TRP 79 -5.146 -29.223 23.747 614 HZ3 TRP 79 HZ3 TRP 79 -9.077 -27.908 24.767 615 HH2 TRP 79 HH2 TRP 79 -7.567 -29.620 23.900 616 HB2 TRP 79 2HB TRP 79 -5.231 -23.590 26.875 617 HB3 TRP 79 1HB TRP 79 -6.851 -23.885 26.248 618 H ILE 80 H ILE 80 -7.706 -21.569 23.972 619 HA ILE 80 HA ILE 80 -7.709 -19.119 25.513 620 HB ILE 80 HB ILE 80 -9.744 -20.092 23.494 621 HG12 ILE 80 2HG1 ILE 80 -7.346 -18.279 23.081 622 HG13 ILE 80 1HG1 ILE 80 -7.483 -19.938 22.505 623 HG21 ILE 80 1HG2 ILE 80 -10.614 -18.335 24.933 624 HG22 ILE 80 2HG2 ILE 80 -10.345 -17.707 23.307 625 HG23 ILE 80 3HG2 ILE 80 -9.203 -17.329 24.598 626 HD11 ILE 80 3HD1 ILE 80 -7.887 -18.312 20.730 627 HD12 ILE 80 1HD1 ILE 80 -9.229 -17.638 21.654 628 HD13 ILE 80 2HD1 ILE 80 -9.318 -19.293 21.048 629 H LEU 81 H LEU 81 -8.372 -19.372 27.601 630 HA LEU 81 HA LEU 81 -10.746 -20.927 28.233 631 HG LEU 81 HG LEU 81 -8.525 -21.399 31.174 632 HB2 LEU 81 2HB LEU 81 -8.792 -19.343 29.884 633 HB3 LEU 81 1HB LEU 81 -10.322 -19.860 30.565 634 HD11 LEU 81 1HD1 LEU 81 -10.750 -22.309 30.980 635 HD12 LEU 81 2HD1 LEU 81 -9.568 -23.496 30.429 636 HD13 LEU 81 3HD1 LEU 81 -10.518 -22.588 29.254 637 HD21 LEU 81 3HD2 LEU 81 -7.408 -22.785 29.502 638 HD22 LEU 81 1HD2 LEU 81 -7.058 -21.074 29.248 639 HD23 LEU 81 2HD2 LEU 81 -8.222 -21.900 28.213 640 H ARG 82 H ARG 82 -12.561 -20.035 27.484 641 HA ARG 82 HA ARG 82 -12.934 -17.175 27.335 642 HE ARG 82 HE ARG 82 -15.214 -20.848 25.202 643 HB2 ARG 82 2HB ARG 82 -14.840 -19.455 26.744 644 HB3 ARG 82 1HB ARG 82 -15.123 -17.763 26.348 645 HG2 ARG 82 2HG ARG 82 -13.222 -17.775 24.833 646 HG3 ARG 82 1HG ARG 82 -12.865 -19.446 25.268 647 HD2 ARG 82 2HD ARG 82 -15.444 -18.532 23.990 648 HD3 ARG 82 1HD ARG 82 -14.069 -19.180 23.099 649 HH11 ARG 82 1HH1 ARG 82 -14.852 -20.189 21.846 650 HH12 ARG 82 2HH1 ARG 82 -15.428 -21.744 21.363 651 HH21 ARG 82 1HH2 ARG 82 -15.973 -22.841 24.560 652 HH22 ARG 82 2HH2 ARG 82 -16.076 -23.217 22.875 653 H THR 83 H THR 83 -14.585 -15.964 28.383 654 HA THR 83 HA THR 83 -15.098 -16.523 31.097 655 HB THR 83 HB THR 83 -16.760 -14.682 30.998 656 HG1 THR 83 HG1 THR 83 -17.419 -13.863 29.101 657 HG21 THR 83 3HG2 THR 83 -15.211 -12.904 30.304 658 HG22 THR 83 1HG2 THR 83 -14.189 -14.101 29.507 659 HG23 THR 83 2HG2 THR 83 -14.385 -14.133 31.261 660 H ASP 84 H ASP 84 -16.674 -17.524 28.230 661 HA ASP 84 HA ASP 84 -19.195 -18.328 29.018 662 HB2 ASP 84 2HB ASP 84 -18.425 -18.462 26.724 663 HB3 ASP 84 1HB ASP 84 -17.192 -19.640 27.159 664 H GLY 85 H GLY 85 -16.076 -19.836 29.697 665 HA2 GLY 85 2HA GLY 85 -15.892 -21.190 31.740 666 HA3 GLY 85 1HA GLY 85 -17.445 -21.904 31.327 667 H SER 86 H SER 86 -16.579 -22.012 28.441 668 HA SER 86 HA SER 86 -15.141 -24.548 28.600 669 HG SER 86 HG SER 86 -17.546 -22.684 26.287 670 HB2 SER 86 2HB SER 86 -15.762 -24.770 26.196 671 HB3 SER 86 1HB SER 86 -17.159 -24.514 27.243 672 H GLU 87 H GLU 87 -13.485 -25.031 26.916 673 HA GLU 87 HA GLU 87 -11.666 -22.723 26.572 674 HB2 GLU 87 2HB GLU 87 -9.827 -24.495 26.765 675 HB3 GLU 87 1HB GLU 87 -10.692 -24.070 28.234 676 HG2 GLU 87 2HG GLU 87 -12.079 -26.066 28.009 677 HG3 GLU 87 1HG GLU 87 -11.224 -26.496 26.530 678 H GLU 88 H GLU 88 -10.133 -22.846 24.808 679 HA GLU 88 HA GLU 88 -10.830 -24.650 22.591 680 HB2 GLU 88 2HB GLU 88 -12.110 -22.558 22.260 681 HB3 GLU 88 1HB GLU 88 -10.621 -21.631 22.353 682 HG2 GLU 88 2HG GLU 88 -11.287 -21.851 20.054 683 HG3 GLU 88 1HG GLU 88 -9.809 -22.768 20.324 684 H ARG 89 H ARG 89 -9.130 -24.626 20.850 685 HA ARG 89 HA ARG 89 -6.480 -23.743 21.827 686 HE ARG 89 HE ARG 89 -5.107 -27.728 19.683 687 HB2 ARG 89 2HB ARG 89 -5.528 -25.857 20.890 688 HB3 ARG 89 1HB ARG 89 -6.601 -26.106 22.261 689 HG2 ARG 89 2HG ARG 89 -8.420 -26.702 20.697 690 HG3 ARG 89 1HG ARG 89 -7.292 -26.529 19.353 691 HD2 ARG 89 2HD ARG 89 -6.921 -28.447 21.653 692 HD3 ARG 89 1HD ARG 89 -7.646 -28.882 20.108 693 HH11 ARG 89 1HH1 ARG 89 -6.584 -30.623 20.841 694 HH12 ARG 89 2HH1 ARG 89 -5.217 -31.605 20.437 695 HH21 ARG 89 1HH2 ARG 89 -3.387 -29.000 19.143 696 HH22 ARG 89 2HH2 ARG 89 -3.438 -30.701 19.463 697 H PHE 90 H PHE 90 -5.282 -22.638 20.356 698 HA PHE 90 HA PHE 90 -5.944 -22.948 17.499 699 HD1 PHE 90 HD1 PHE 90 -6.056 -20.529 20.823 700 HD2 PHE 90 HD2 PHE 90 -4.089 -19.055 17.343 701 HE1 PHE 90 HE1 PHE 90 -4.830 -18.906 22.204 702 HE2 PHE 90 HE2 PHE 90 -2.861 -17.433 18.722 703 HZ PHE 90 HZ PHE 90 -3.230 -17.357 21.154 704 HB2 PHE 90 2HB PHE 90 -5.825 -20.583 17.104 705 HB3 PHE 90 1HB PHE 90 -6.960 -20.853 18.418 706 H SER 91 H SER 91 -4.246 -23.420 16.260 707 HA SER 91 HA SER 91 -1.584 -23.453 17.321 708 HG SER 91 HG SER 91 -0.462 -23.722 14.178 709 HB2 SER 91 2HB SER 91 -2.257 -25.175 15.733 710 HB3 SER 91 1HB SER 91 -2.563 -23.955 14.497 711 H TYR 92 H TYR 92 -0.943 -21.408 17.802 712 HA TYR 92 HA TYR 92 -1.371 -19.028 16.574 713 HD1 TYR 92 HD1 TYR 92 0.660 -21.808 18.649 714 HD2 TYR 92 HD2 TYR 92 2.924 -18.424 17.393 715 HE1 TYR 92 HE1 TYR 92 2.735 -23.103 18.902 716 HE2 TYR 92 HE2 TYR 92 4.999 -19.714 17.637 717 HH TYR 92 HH TYR 92 5.802 -21.685 18.893 718 HB2 TYR 92 2HB TYR 92 0.613 -18.185 17.699 719 HB3 TYR 92 1HB TYR 92 -0.225 -19.327 18.744 720 H LYS 93 H LYS 93 1.144 -21.348 15.591 721 HA LYS 93 HA LYS 93 2.477 -19.425 13.919 722 HB2 LYS 93 2HB LYS 93 3.974 -21.262 13.303 723 HB3 LYS 93 1HB LYS 93 3.790 -21.106 15.042 724 HG2 LYS 93 2HG LYS 93 2.275 -23.022 15.071 725 HG3 LYS 93 1HG LYS 93 2.417 -23.167 13.314 726 HD2 LYS 93 2HD LYS 93 4.837 -23.551 13.547 727 HD3 LYS 93 1HD LYS 93 4.687 -23.423 15.301 728 HE2 LYS 93 2HE LYS 93 3.241 -25.392 15.331 729 HE3 LYS 93 1HE LYS 93 3.336 -25.503 13.574 730 HZ1 LYS 93 3HZ LYS 93 5.622 -25.785 15.457 731 HZ2 LYS 93 1HZ LYS 93 5.725 -25.869 13.769 732 HZ3 LYS 93 2HZ LYS 93 4.862 -27.045 14.624 733 H LYS 94 H LYS 94 -0.181 -21.505 13.363 734 HA LYS 94 HA LYS 94 0.361 -21.775 10.509 735 HB2 LYS 94 2HB LYS 94 -1.992 -22.712 12.170 736 HB3 LYS 94 1HB LYS 94 -1.804 -23.014 10.446 737 HG2 LYS 94 2HG LYS 94 0.298 -24.236 10.921 738 HG3 LYS 94 1HG LYS 94 0.014 -23.992 12.646 739 HD2 LYS 94 2HD LYS 94 -2.109 -25.237 12.455 740 HD3 LYS 94 1HD LYS 94 -1.781 -25.513 10.741 741 HE2 LYS 94 2HE LYS 94 0.315 -26.687 11.385 742 HE3 LYS 94 1HE LYS 94 -0.136 -26.496 13.079 743 HZ1 LYS 94 3HZ LYS 94 -0.759 -28.666 12.322 744 HZ2 LYS 94 1HZ LYS 94 -1.624 -28.028 11.013 745 HZ3 LYS 94 2HZ LYS 94 -2.165 -27.774 12.594 746 H CYS 95 H CYS 95 0.412 -19.334 10.451 747 HA CYS 95 HA CYS 95 -1.980 -18.407 9.161 748 HG CYS 95 HG CYS 95 -0.241 -17.794 12.900 749 HB2 CYS 95 2HB CYS 95 -2.431 -16.487 10.618 750 HB3 CYS 95 1HB CYS 95 -2.628 -17.996 11.498 751 H VAL 96 H VAL 96 0.893 -18.747 8.636 752 HA VAL 96 HA VAL 96 1.989 -16.067 8.351 753 HB VAL 96 HB VAL 96 3.041 -18.673 7.212 754 HG11 VAL 96 1HG1 VAL 96 4.008 -16.726 6.137 755 HG12 VAL 96 2HG1 VAL 96 5.209 -17.499 7.172 756 HG13 VAL 96 3HG1 VAL 96 4.403 -16.022 7.705 757 HG21 VAL 96 3HG2 VAL 96 3.711 -17.352 9.846 758 HG22 VAL 96 1HG2 VAL 96 4.518 -18.767 9.169 759 HG23 VAL 96 2HG2 VAL 96 2.819 -18.859 9.632 760 H LEU 97 H LEU 97 0.610 -18.582 6.335 761 HA LEU 97 HA LEU 97 0.010 -16.607 4.243 762 HG LEU 97 HG LEU 97 1.069 -16.811 1.966 763 HB2 LEU 97 2HB LEU 97 2.074 -18.172 3.794 764 HB3 LEU 97 1HB LEU 97 0.863 -19.407 3.516 765 HD11 LEU 97 1HD1 LEU 97 1.887 -19.605 1.173 766 HD12 LEU 97 2HD1 LEU 97 2.977 -18.265 1.531 767 HD13 LEU 97 3HD1 LEU 97 1.909 -18.182 0.131 768 HD21 LEU 97 3HD2 LEU 97 -0.508 -17.885 0.409 769 HD22 LEU 97 1HD2 LEU 97 -1.211 -17.655 2.010 770 HD23 LEU 97 2HD2 LEU 97 -0.655 -19.254 1.514 771 H GLU 98 H GLU 98 -0.428 -20.116 4.757 772 HA GLU 98 HA GLU 98 -3.293 -19.733 5.221 773 HB2 GLU 98 2HB GLU 98 -2.142 -21.442 3.006 774 HB3 GLU 98 1HB GLU 98 -3.760 -21.695 3.645 775 HG2 GLU 98 2HG GLU 98 -4.406 -19.451 2.960 776 HG3 GLU 98 1HG GLU 98 -2.774 -19.145 2.370 777 H HIS 99 H HIS 99 -4.337 -21.864 5.865 778 HA HIS 99 HA HIS 99 -3.074 -23.126 7.994 779 HD1 HIS 99 HD1 HIS 99 -7.144 -22.520 6.283 780 HD2 HIS 99 HD2 HIS 99 -4.764 -25.516 4.650 781 HE1 HIS 99 HE1 HIS 99 -8.075 -22.949 3.992 782 HE2 HIS 99 HE2 HIS 99 -6.693 -24.832 3.066 783 HB2 HIS 99 2HB HIS 99 -4.859 -24.942 7.608 784 HB3 HIS 99 1HB HIS 99 -5.424 -23.298 7.888 785 H HIS 100 H HIS 100 -1.843 -24.954 8.262 786 HA HIS 100 HA HIS 100 -1.216 -26.616 5.914 787 HD1 HIS 100 HD1 HIS 100 0.939 -27.246 4.444 788 HD2 HIS 100 HD2 HIS 100 2.833 -27.192 8.145 789 HE1 HIS 100 HE1 HIS 100 2.788 -28.936 4.281 790 HE2 HIS 100 HE2 HIS 100 3.841 -28.972 6.564 791 HB2 HIS 100 2HB HIS 100 0.607 -24.991 6.098 792 HB3 HIS 100 1HB HIS 100 0.837 -25.406 7.792 793 H HIS 101 H HIS 101 -1.013 -28.767 6.342 794 HA HIS 101 HA HIS 101 -1.906 -29.658 8.947 795 HD1 HIS 101 HD1 HIS 101 -2.873 -30.097 4.810 796 HD2 HIS 101 HD2 HIS 101 -4.639 -30.948 8.476 797 HE1 HIS 101 HE1 HIS 101 -5.313 -29.601 4.513 798 HE2 HIS 101 HE2 HIS 101 -6.342 -30.015 6.767 799 HB2 HIS 101 2HB HIS 101 -1.280 -31.205 6.423 800 HB3 HIS 101 1HB HIS 101 -1.972 -31.906 7.883 801 H HIS 102 H HIS 102 -0.891 -31.705 9.866 802 HA HIS 102 HA HIS 102 1.920 -31.074 10.359 803 HD1 HIS 102 HD1 HIS 102 2.063 -34.514 12.691 804 HD2 HIS 102 HD2 HIS 102 2.641 -30.459 13.379 805 HE1 HIS 102 HE1 HIS 102 4.009 -34.375 14.264 806 HE2 HIS 102 HE2 HIS 102 4.393 -31.914 14.598 807 HB2 HIS 102 2HB HIS 102 0.201 -31.364 12.202 808 HB3 HIS 102 1HB HIS 102 0.169 -33.076 11.802 809 H HIS 103 H HIS 103 3.612 -32.579 10.178 810 HA HIS 103 HA HIS 103 2.978 -35.130 8.821 811 HD1 HIS 103 HD1 HIS 103 1.920 -34.219 7.287 812 HD2 HIS 103 HD2 HIS 103 5.344 -32.881 5.342 813 HE1 HIS 103 HE1 HIS 103 1.150 -33.437 5.032 814 HE2 HIS 103 HE2 HIS 103 3.221 -32.573 3.897 815 HB2 HIS 103 2HB HIS 103 5.255 -33.217 8.289 816 HB3 HIS 103 1HB HIS 103 5.288 -34.894 7.754 817 H HIS 104 H HIS 104 3.655 -36.903 9.824 818 HA HIS 104 HA HIS 104 5.639 -36.666 12.001 819 HD1 HIS 104 HD1 HIS 104 5.169 -37.652 14.776 820 HD2 HIS 104 HD2 HIS 104 4.678 -41.015 12.388 821 HE1 HIS 104 HE1 HIS 104 6.130 -39.557 16.093 822 HE2 HIS 104 HE2 HIS 104 5.965 -41.544 14.566 823 HB2 HIS 104 2HB HIS 104 3.443 -37.383 12.774 824 HB3 HIS 104 1HB HIS 104 3.419 -38.687 11.593 Start of MODEL 16 1 HA MET 1 HA MET 1 -4.135 -1.656 1.392 2 H1 MET 1 1H MET 1 -5.634 -2.933 2.747 3 H2 MET 1 2H MET 1 -5.713 -1.297 3.163 4 H3 MET 1 3H MET 1 -4.887 -2.380 4.160 5 HB2 MET 1 2HB MET 1 -2.872 -0.900 4.041 6 HB3 MET 1 1HB MET 1 -2.177 -0.554 2.463 7 HG2 MET 1 2HG MET 1 -4.098 0.856 1.920 8 HG3 MET 1 1HG MET 1 -4.803 0.506 3.499 9 HE1 MET 1 3HE MET 1 -2.160 2.170 5.901 10 HE2 MET 1 1HE MET 1 -2.167 0.499 5.336 11 HE3 MET 1 2HE MET 1 -3.676 1.274 5.815 12 H ALA 2 H ALA 2 -3.595 -3.651 0.578 13 HA ALA 2 HA ALA 2 -2.217 -5.659 2.057 14 HB1 ALA 2 3HB ALA 2 -3.591 -6.191 0.105 15 HB2 ALA 2 1HB ALA 2 -1.942 -6.787 -0.094 16 HB3 ALA 2 2HB ALA 2 -2.460 -5.325 -0.936 17 H LYS 3 H LYS 3 -0.294 -5.078 2.935 18 HA LYS 3 HA LYS 3 1.876 -4.264 1.117 19 HB2 LYS 3 2HB LYS 3 1.247 -2.918 3.758 20 HB3 LYS 3 1HB LYS 3 2.678 -2.612 2.786 21 HG2 LYS 3 2HG LYS 3 1.258 -1.740 0.980 22 HG3 LYS 3 1HG LYS 3 -0.173 -2.043 1.969 23 HD2 LYS 3 2HD LYS 3 0.486 0.305 2.095 24 HD3 LYS 3 1HD LYS 3 0.663 -0.481 3.664 25 HE2 LYS 3 2HE LYS 3 3.084 -0.753 3.219 26 HE3 LYS 3 1HE LYS 3 2.879 0.107 1.693 27 HZ1 LYS 3 3HZ LYS 3 2.371 1.214 4.400 28 HZ2 LYS 3 1HZ LYS 3 2.123 2.039 2.947 29 HZ3 LYS 3 2HZ LYS 3 3.684 1.586 3.400 30 H ALA 4 H ALA 4 4.052 -4.432 2.212 31 HA ALA 4 HA ALA 4 4.267 -6.857 3.778 32 HB1 ALA 4 3HB ALA 4 5.917 -6.388 2.032 33 HB2 ALA 4 1HB ALA 4 6.692 -6.500 3.612 34 HB3 ALA 4 2HB ALA 4 6.410 -4.921 2.877 35 H GLN 5 H GLN 5 2.922 -5.877 5.530 36 HA GLN 5 HA GLN 5 4.048 -3.683 7.054 37 HB2 GLN 5 2HB GLN 5 1.591 -5.382 7.544 38 HB3 GLN 5 1HB GLN 5 2.021 -3.937 8.451 39 HG2 GLN 5 2HG GLN 5 1.782 -2.579 6.455 40 HG3 GLN 5 1HG GLN 5 1.431 -4.015 5.495 41 HE21 GLN 5 1HE2 GLN 5 0.221 -1.817 7.902 42 HE22 GLN 5 2HE2 GLN 5 -1.429 -2.315 7.811 43 HA PRO 6 HA PRO 6 5.984 -6.207 10.245 44 HB2 PRO 6 2HB PRO 6 5.712 -3.914 12.050 45 HB3 PRO 6 1HB PRO 6 7.178 -4.629 11.378 46 HG2 PRO 6 2HG PRO 6 6.273 -2.186 10.633 47 HG3 PRO 6 1HG PRO 6 7.164 -3.254 9.533 48 HD2 PRO 6 2HD PRO 6 4.206 -2.762 9.715 49 HD3 PRO 6 1HD PRO 6 5.238 -2.909 8.274 50 H ILE 7 H ILE 7 5.112 -7.573 11.729 51 HA ILE 7 HA ILE 7 2.316 -7.410 12.298 52 HB ILE 7 HB ILE 7 4.418 -9.336 13.327 53 HG12 ILE 7 2HG1 ILE 7 3.210 -10.949 11.809 54 HG13 ILE 7 1HG1 ILE 7 2.274 -9.593 11.191 55 HG21 ILE 7 1HG2 ILE 7 2.626 -9.202 14.960 56 HG22 ILE 7 2HG2 ILE 7 2.545 -10.740 14.103 57 HG23 ILE 7 3HG2 ILE 7 1.418 -9.445 13.696 58 HD11 ILE 7 3HD1 ILE 7 4.094 -10.198 9.701 59 HD12 ILE 7 1HD1 ILE 7 5.261 -9.908 10.989 60 HD13 ILE 7 2HD1 ILE 7 4.312 -8.569 10.340 61 H GLU 8 H GLU 8 1.949 -5.549 13.490 62 HA GLU 8 HA GLU 8 3.212 -5.280 16.120 63 HB2 GLU 8 2HB GLU 8 3.059 -3.312 14.621 64 HB3 GLU 8 1HB GLU 8 1.308 -3.420 14.668 65 HG2 GLU 8 2HG GLU 8 2.929 -3.036 17.172 66 HG3 GLU 8 1HG GLU 8 2.468 -1.680 16.147 67 H ILE 9 H ILE 9 2.286 -6.327 17.769 68 HA ILE 9 HA ILE 9 -0.665 -6.347 17.973 69 HB ILE 9 HB ILE 9 1.183 -8.639 18.692 70 HG12 ILE 9 2HG1 ILE 9 -0.924 -8.408 16.523 71 HG13 ILE 9 1HG1 ILE 9 0.816 -8.445 16.267 72 HG21 ILE 9 1HG2 ILE 9 -0.853 -9.879 19.258 73 HG22 ILE 9 2HG2 ILE 9 -1.822 -8.441 18.940 74 HG23 ILE 9 3HG2 ILE 9 -0.670 -8.451 20.275 75 HD11 ILE 9 3HD1 ILE 9 -0.845 -10.682 17.406 76 HD12 ILE 9 1HD1 ILE 9 0.897 -10.724 17.131 77 HD13 ILE 9 2HD1 ILE 9 -0.209 -10.586 15.763 78 H ALA 10 H ALA 10 -1.296 -5.268 19.739 79 HA ALA 10 HA ALA 10 -1.445 -4.456 21.859 80 HB1 ALA 10 3HB ALA 10 -1.622 -6.832 22.392 81 HB2 ALA 10 1HB ALA 10 -0.788 -5.957 23.678 82 HB3 ALA 10 2HB ALA 10 0.132 -6.942 22.539 83 H GLY 11 H GLY 11 0.818 -3.509 20.266 84 HA2 GLY 11 2HA GLY 11 2.422 -1.874 20.740 85 HA3 GLY 11 1HA GLY 11 2.380 -2.344 22.431 86 H HIS 12 H HIS 12 2.826 -4.744 19.947 87 HA HIS 12 HA HIS 12 5.743 -4.775 20.407 88 HD1 HIS 12 HD1 HIS 12 6.634 -6.601 22.865 89 HD2 HIS 12 HD2 HIS 12 2.485 -6.581 22.602 90 HE1 HIS 12 HE1 HIS 12 5.808 -6.513 25.233 91 HE2 HIS 12 HE2 HIS 12 3.308 -6.323 25.038 92 HB2 HIS 12 2HB HIS 12 3.974 -7.236 20.316 93 HB3 HIS 12 1HB HIS 12 5.723 -7.221 20.524 94 H GLU 13 H GLU 13 6.706 -4.455 18.496 95 HA GLU 13 HA GLU 13 5.263 -5.136 16.031 96 HB2 GLU 13 2HB GLU 13 6.792 -3.604 14.881 97 HB3 GLU 13 1HB GLU 13 5.975 -2.809 16.214 98 HG2 GLU 13 2HG GLU 13 8.799 -3.867 16.324 99 HG3 GLU 13 1HG GLU 13 8.371 -2.198 15.967 100 H PHE 14 H PHE 14 5.821 -6.813 14.815 101 HA PHE 14 HA PHE 14 8.488 -8.036 15.181 102 HD1 PHE 14 HD1 PHE 14 8.532 -10.515 16.704 103 HD2 PHE 14 HD2 PHE 14 4.661 -8.756 16.466 104 HE1 PHE 14 HE1 PHE 14 8.218 -10.882 19.115 105 HE2 PHE 14 HE2 PHE 14 4.341 -9.123 18.875 106 HZ PHE 14 HZ PHE 14 6.121 -10.186 20.205 107 HB2 PHE 14 2HB PHE 14 5.854 -9.355 14.471 108 HB3 PHE 14 1HB PHE 14 7.406 -10.188 14.549 109 H ALA 15 H ALA 15 9.544 -8.928 13.364 110 HA ALA 15 HA ALA 15 9.153 -7.339 10.976 111 HB1 ALA 15 3HB ALA 15 11.258 -8.297 10.224 112 HB2 ALA 15 1HB ALA 15 11.232 -9.449 11.558 113 HB3 ALA 15 2HB ALA 15 11.397 -7.723 11.885 114 H ARG 16 H ARG 16 8.391 -10.578 11.946 115 HA ARG 16 HA ARG 16 7.327 -11.180 9.281 116 HE ARG 16 HE ARG 16 9.862 -12.801 6.847 117 HB2 ARG 16 2HB ARG 16 9.657 -12.061 9.350 118 HB3 ARG 16 1HB ARG 16 9.234 -13.022 10.757 119 HG2 ARG 16 2HG ARG 16 9.264 -14.398 8.769 120 HG3 ARG 16 1HG ARG 16 7.621 -14.284 9.405 121 HD2 ARG 16 2HD ARG 16 7.673 -14.087 6.958 122 HD3 ARG 16 1HD ARG 16 7.057 -12.624 7.722 123 HH11 ARG 16 1HH1 ARG 16 6.783 -11.264 6.764 124 HH12 ARG 16 2HH1 ARG 16 7.349 -9.936 5.820 125 HH21 ARG 16 1HH2 ARG 16 10.581 -11.076 5.632 126 HH22 ARG 16 2HH2 ARG 16 9.467 -9.834 5.176 127 H LYS 17 H LYS 17 5.656 -12.835 9.307 128 HA LYS 17 HA LYS 17 4.048 -12.954 11.583 129 HB2 LYS 17 2HB LYS 17 3.273 -13.482 9.282 130 HB3 LYS 17 1HB LYS 17 4.158 -14.998 9.349 131 HG2 LYS 17 2HG LYS 17 1.747 -15.274 9.773 132 HG3 LYS 17 1HG LYS 17 2.744 -15.808 11.129 133 HD2 LYS 17 2HD LYS 17 2.291 -13.721 12.310 134 HD3 LYS 17 1HD LYS 17 1.358 -13.125 10.938 135 HE2 LYS 17 2HE LYS 17 0.650 -15.601 12.521 136 HE3 LYS 17 1HE LYS 17 -0.032 -14.004 12.820 137 HZ1 LYS 17 3HZ LYS 17 -0.276 -15.552 10.296 138 HZ2 LYS 17 1HZ LYS 17 -0.909 -14.007 10.557 139 HZ3 LYS 17 2HZ LYS 17 -1.496 -15.327 11.436 140 H ALA 18 H ALA 18 6.406 -15.355 10.411 141 HA ALA 18 HA ALA 18 6.129 -17.193 12.529 142 HB1 ALA 18 3HB ALA 18 7.241 -17.730 10.414 143 HB2 ALA 18 1HB ALA 18 8.272 -18.099 11.797 144 HB3 ALA 18 2HB ALA 18 8.569 -16.650 10.834 145 H ASP 19 H ASP 19 7.772 -14.137 12.367 146 HA ASP 19 HA ASP 19 9.529 -14.480 14.575 147 HB2 ASP 19 2HB ASP 19 9.766 -12.719 12.829 148 HB3 ASP 19 1HB ASP 19 8.334 -11.922 13.464 149 H ALA 20 H ALA 20 6.257 -13.108 14.271 150 HA ALA 20 HA ALA 20 5.844 -12.554 17.011 151 HB1 ALA 20 3HB ALA 20 3.804 -13.256 14.896 152 HB2 ALA 20 1HB ALA 20 4.422 -11.642 15.242 153 HB3 ALA 20 2HB ALA 20 3.463 -12.495 16.452 154 H LEU 21 H LEU 21 5.159 -15.438 15.052 155 HA LEU 21 HA LEU 21 3.994 -17.032 17.052 156 HG LEU 21 HG LEU 21 3.800 -16.650 13.880 157 HB2 LEU 21 2HB LEU 21 5.712 -17.938 14.732 158 HB3 LEU 21 1HB LEU 21 4.625 -18.956 15.659 159 HD11 LEU 21 1HD1 LEU 21 3.449 -19.626 13.501 160 HD12 LEU 21 2HD1 LEU 21 4.585 -18.598 12.625 161 HD13 LEU 21 3HD1 LEU 21 2.850 -18.356 12.431 162 HD21 LEU 21 3HD2 LEU 21 2.282 -16.860 15.763 163 HD22 LEU 21 1HD2 LEU 21 2.108 -18.589 15.460 164 HD23 LEU 21 2HD2 LEU 21 1.504 -17.422 14.284 165 H ALA 22 H ALA 22 7.395 -16.599 16.133 166 HA ALA 22 HA ALA 22 8.559 -18.472 17.854 167 HB1 ALA 22 3HB ALA 22 9.782 -17.349 16.058 168 HB2 ALA 22 1HB ALA 22 10.617 -17.184 17.602 169 HB3 ALA 22 2HB ALA 22 9.697 -15.827 16.947 170 H PHE 23 H PHE 23 7.871 -15.014 18.413 171 HA PHE 23 HA PHE 23 8.849 -14.771 21.007 172 HD1 PHE 23 HD1 PHE 23 9.247 -12.151 21.849 173 HD2 PHE 23 HD2 PHE 23 5.048 -12.817 21.550 174 HE1 PHE 23 HE1 PHE 23 8.895 -10.851 23.907 175 HE2 PHE 23 HE2 PHE 23 4.694 -11.518 23.608 176 HZ PHE 23 HZ PHE 23 6.618 -10.534 24.789 177 HB2 PHE 23 2HB PHE 23 8.124 -12.842 19.695 178 HB3 PHE 23 1HB PHE 23 6.457 -13.400 19.750 179 H MET 24 H MET 24 5.530 -15.623 19.992 180 HA MET 24 HA MET 24 4.510 -16.090 22.564 181 HB2 MET 24 2HB MET 24 3.697 -17.164 19.862 182 HB3 MET 24 1HB MET 24 2.818 -17.565 21.334 183 HG2 MET 24 2HG MET 24 2.413 -15.175 21.727 184 HG3 MET 24 1HG MET 24 3.260 -14.795 20.231 185 HE1 MET 24 3HE MET 24 2.321 -15.071 17.880 186 HE2 MET 24 1HE MET 24 0.890 -16.018 17.469 187 HE3 MET 24 2HE MET 24 2.328 -16.822 18.098 188 H LYS 25 H LYS 25 6.222 -18.263 20.348 189 HA LYS 25 HA LYS 25 5.970 -20.615 21.898 190 HB2 LYS 25 2HB LYS 25 6.724 -20.583 19.536 191 HB3 LYS 25 1HB LYS 25 8.233 -19.834 20.040 192 HG2 LYS 25 2HG LYS 25 8.767 -21.828 21.378 193 HG3 LYS 25 1HG LYS 25 7.262 -22.580 20.839 194 HD2 LYS 25 2HD LYS 25 8.059 -22.440 18.501 195 HD3 LYS 25 1HD LYS 25 9.577 -21.745 19.077 196 HE2 LYS 25 2HE LYS 25 10.010 -23.791 20.368 197 HE3 LYS 25 1HE LYS 25 8.508 -24.488 19.764 198 HZ1 LYS 25 3HZ LYS 25 10.845 -23.699 18.116 199 HZ2 LYS 25 1HZ LYS 25 9.403 -24.351 17.518 200 HZ3 LYS 25 2HZ LYS 25 10.404 -25.281 18.517 201 H VAL 26 H VAL 26 8.359 -17.989 21.961 202 HA VAL 26 HA VAL 26 10.184 -19.058 23.792 203 HB VAL 26 HB VAL 26 9.380 -16.160 23.405 204 HG11 VAL 26 1HG1 VAL 26 10.419 -16.420 25.589 205 HG12 VAL 26 2HG1 VAL 26 11.533 -15.604 24.491 206 HG13 VAL 26 3HG1 VAL 26 11.761 -17.311 24.873 207 HG21 VAL 26 3HG2 VAL 26 10.305 -17.211 21.397 208 HG22 VAL 26 1HG2 VAL 26 11.714 -17.745 22.312 209 HG23 VAL 26 2HG2 VAL 26 11.430 -16.023 22.055 210 H MET 27 H MET 27 7.502 -16.774 24.546 211 HA MET 27 HA MET 27 7.762 -17.108 27.340 212 HB2 MET 27 2HB MET 27 5.616 -15.974 27.554 213 HB3 MET 27 1HB MET 27 6.645 -15.155 26.389 214 HG2 MET 27 2HG MET 27 5.382 -16.170 24.558 215 HG3 MET 27 1HG MET 27 4.347 -16.989 25.732 216 HE1 MET 27 3HE MET 27 2.129 -15.971 24.699 217 HE2 MET 27 1HE MET 27 3.090 -15.183 23.446 218 HE3 MET 27 2HE MET 27 1.906 -14.255 24.365 219 H LEU 28 H LEU 28 5.901 -18.894 24.942 220 HA LEU 28 HA LEU 28 4.300 -20.455 26.614 221 HG LEU 28 HG LEU 28 4.653 -23.226 25.249 222 HB2 LEU 28 2HB LEU 28 4.168 -20.451 24.146 223 HB3 LEU 28 1HB LEU 28 5.704 -21.291 24.067 224 HD11 LEU 28 1HD1 LEU 28 2.843 -22.005 26.368 225 HD12 LEU 28 2HD1 LEU 28 2.229 -23.355 25.417 226 HD13 LEU 28 3HD1 LEU 28 2.080 -21.707 24.806 227 HD21 LEU 28 3HD2 LEU 28 4.878 -23.217 22.821 228 HD22 LEU 28 1HD2 LEU 28 3.332 -22.379 22.668 229 HD23 LEU 28 2HD2 LEU 28 3.386 -24.021 23.306 230 H ASN 29 H ASN 29 7.667 -20.968 25.583 231 HA ASN 29 HA ASN 29 8.014 -23.351 27.169 232 HB2 ASN 29 2HB ASN 29 9.954 -21.588 25.660 233 HB3 ASN 29 1HB ASN 29 10.462 -23.010 26.563 234 HD21 ASN 29 1HD2 ASN 29 7.430 -22.871 24.813 235 HD22 ASN 29 2HD2 ASN 29 7.888 -23.990 23.587 236 H ARG 30 H ARG 30 8.178 -19.988 27.795 237 HA ARG 30 HA ARG 30 9.974 -20.022 30.008 238 HE ARG 30 HE ARG 30 9.372 -15.749 32.700 239 HB2 ARG 30 2HB ARG 30 9.322 -17.977 28.708 240 HB3 ARG 30 1HB ARG 30 7.728 -18.063 29.432 241 HG2 ARG 30 2HG ARG 30 10.209 -17.802 31.112 242 HG3 ARG 30 1HG ARG 30 9.416 -16.399 30.399 243 HD2 ARG 30 2HD ARG 30 7.297 -17.142 31.551 244 HD3 ARG 30 1HD ARG 30 8.265 -18.345 32.402 245 HH11 ARG 30 1HH1 ARG 30 6.848 -17.789 33.875 246 HH12 ARG 30 2HH1 ARG 30 6.699 -16.909 35.354 247 HH21 ARG 30 1HH2 ARG 30 9.175 -14.652 34.590 248 HH22 ARG 30 2HH2 ARG 30 8.011 -15.165 35.762 249 H TYR 31 H TYR 31 6.437 -20.263 29.725 250 HA TYR 31 HA TYR 31 6.173 -20.786 32.584 251 HD1 TYR 31 HD2 TYR 31 4.857 -18.603 29.470 252 HD2 TYR 31 HD1 TYR 31 3.784 -18.960 33.571 253 HE1 TYR 31 HE2 TYR 31 4.726 -16.160 29.635 254 HE2 TYR 31 HE1 TYR 31 3.644 -16.507 33.748 255 HH TYR 31 HH TYR 31 3.987 -14.441 30.906 256 HB2 TYR 31 2HB TYR 31 4.071 -20.748 30.401 257 HB3 TYR 31 1HB TYR 31 3.748 -20.905 32.122 258 H ARG 32 H ARG 32 5.085 -22.729 33.377 259 HA ARG 32 HA ARG 32 5.856 -25.108 31.839 260 HE ARG 32 HE ARG 32 9.542 -24.137 34.717 261 HB2 ARG 32 2HB ARG 32 5.126 -24.788 34.763 262 HB3 ARG 32 1HB ARG 32 5.496 -26.330 34.005 263 HG2 ARG 32 2HG ARG 32 7.461 -25.649 35.123 264 HG3 ARG 32 1HG ARG 32 7.754 -25.382 33.405 265 HD2 ARG 32 2HD ARG 32 7.118 -22.984 33.754 266 HD3 ARG 32 1HD ARG 32 7.051 -23.308 35.484 267 HH11 ARG 32 1HH1 ARG 32 7.776 -21.191 34.514 268 HH12 ARG 32 2HH1 ARG 32 9.194 -20.210 34.535 269 HH21 ARG 32 1HH2 ARG 32 11.361 -22.863 34.745 270 HH22 ARG 32 2HH2 ARG 32 11.197 -21.142 34.647 271 HA PRO 33 HA PRO 33 1.742 -26.488 30.836 272 HB2 PRO 33 2HB PRO 33 2.407 -29.102 32.102 273 HB3 PRO 33 1HB PRO 33 1.823 -28.752 30.469 274 HG2 PRO 33 2HG PRO 33 4.365 -29.407 30.903 275 HG3 PRO 33 1HG PRO 33 3.941 -28.196 29.687 276 HD2 PRO 33 2HD PRO 33 5.078 -27.829 32.435 277 HD3 PRO 33 1HD PRO 33 5.418 -26.926 30.943 278 H GLY 34 H GLY 34 1.028 -25.031 32.498 279 HA2 GLY 34 2HA GLY 34 -1.116 -25.727 33.915 280 HA3 GLY 34 1HA GLY 34 0.148 -26.190 35.043 281 H ASP 35 H ASP 35 1.526 -23.686 33.585 282 HA ASP 35 HA ASP 35 0.915 -21.875 35.748 283 HB2 ASP 35 2HB ASP 35 2.816 -21.654 33.404 284 HB3 ASP 35 1HB ASP 35 2.680 -20.452 34.683 285 H ILE 36 H ILE 36 -0.138 -19.947 35.652 286 HA ILE 36 HA ILE 36 -1.908 -19.476 33.419 287 HB ILE 36 HB ILE 36 -1.490 -17.833 35.931 288 HG12 ILE 36 2HG1 ILE 36 -2.236 -20.093 36.484 289 HG13 ILE 36 1HG1 ILE 36 -3.549 -18.949 36.743 290 HG21 ILE 36 1HG2 ILE 36 -3.746 -17.784 33.917 291 HG22 ILE 36 2HG2 ILE 36 -2.524 -16.532 34.142 292 HG23 ILE 36 3HG2 ILE 36 -3.691 -16.864 35.421 293 HD11 ILE 36 3HD1 ILE 36 -4.349 -20.992 35.722 294 HD12 ILE 36 1HD1 ILE 36 -3.238 -20.776 34.371 295 HD13 ILE 36 2HD1 ILE 36 -4.552 -19.629 34.624 296 H VAL 37 H VAL 37 -1.651 -18.026 31.808 297 HA VAL 37 HA VAL 37 0.839 -16.745 31.363 298 HB VAL 37 HB VAL 37 -1.824 -16.251 30.002 299 HG11 VAL 37 1HG1 VAL 37 0.982 -15.553 29.127 300 HG12 VAL 37 2HG1 VAL 37 -0.298 -14.422 29.570 301 HG13 VAL 37 3HG1 VAL 37 -0.461 -15.413 28.120 302 HG21 VAL 37 3HG2 VAL 37 -1.137 -18.590 29.858 303 HG22 VAL 37 1HG2 VAL 37 0.445 -18.103 29.248 304 HG23 VAL 37 2HG2 VAL 37 -1.002 -17.806 28.284 305 H SER 38 H SER 38 1.570 -14.766 31.921 306 HA SER 38 HA SER 38 0.268 -13.293 33.943 307 HG SER 38 HG SER 38 3.651 -13.889 33.369 308 HB2 SER 38 2HB SER 38 2.619 -12.480 32.216 309 HB3 SER 38 1HB SER 38 2.132 -11.696 33.721 310 H THR 39 H THR 39 0.052 -10.821 33.809 311 HA THR 39 HA THR 39 -2.195 -10.225 32.310 312 HB THR 39 HB THR 39 -0.214 -8.197 33.382 313 HG1 THR 39 HG1 THR 39 -1.373 -8.354 35.301 314 HG21 THR 39 3HG2 THR 39 -1.875 -7.190 31.896 315 HG22 THR 39 1HG2 THR 39 -2.197 -6.734 33.570 316 HG23 THR 39 2HG2 THR 39 -3.177 -7.976 32.790 317 H VAL 40 H VAL 40 1.048 -8.812 31.689 318 HA VAL 40 HA VAL 40 0.372 -7.544 29.284 319 HB VAL 40 HB VAL 40 3.097 -8.590 30.106 320 HG11 VAL 40 1HG1 VAL 40 3.033 -8.012 27.738 321 HG12 VAL 40 2HG1 VAL 40 3.987 -6.830 28.631 322 HG13 VAL 40 3HG1 VAL 40 2.346 -6.433 28.121 323 HG21 VAL 40 3HG2 VAL 40 1.832 -5.886 30.601 324 HG22 VAL 40 1HG2 VAL 40 3.484 -6.347 31.014 325 HG23 VAL 40 2HG2 VAL 40 2.125 -7.131 31.814 326 H ASP 41 H ASP 41 1.981 -10.682 29.786 327 HA ASP 41 HA ASP 41 2.283 -11.530 27.171 328 HB2 ASP 41 2HB ASP 41 1.516 -13.270 29.531 329 HB3 ASP 41 1HB ASP 41 2.361 -13.787 28.074 330 H GLY 42 H GLY 42 -0.540 -11.915 29.296 331 HA2 GLY 42 2HA GLY 42 -2.137 -13.397 27.482 332 HA3 GLY 42 1HA GLY 42 -2.715 -12.522 28.892 333 H ALA 43 H ALA 43 -2.039 -9.916 28.249 334 HA ALA 43 HA ALA 43 -4.133 -9.015 26.671 335 HB1 ALA 43 3HB ALA 43 -2.998 -6.851 26.636 336 HB2 ALA 43 1HB ALA 43 -1.495 -7.619 27.152 337 HB3 ALA 43 2HB ALA 43 -2.887 -7.590 28.232 338 H PHE 44 H PHE 44 -0.792 -9.691 25.744 339 HA PHE 44 HA PHE 44 -0.900 -8.939 23.045 340 HD1 PHE 44 HD1 PHE 44 0.750 -12.618 22.377 341 HD2 PHE 44 HD2 PHE 44 2.008 -8.553 22.168 342 HE1 PHE 44 HE1 PHE 44 1.855 -13.073 20.226 343 HE2 PHE 44 HE2 PHE 44 3.109 -9.002 20.018 344 HZ PHE 44 HZ PHE 44 3.036 -11.264 19.042 345 HB2 PHE 44 2HB PHE 44 1.187 -9.488 24.238 346 HB3 PHE 44 1HB PHE 44 0.690 -11.172 24.347 347 H LEU 45 H LEU 45 -1.473 -12.125 24.534 348 HA LEU 45 HA LEU 45 -2.128 -13.530 22.198 349 HG LEU 45 HG LEU 45 -0.531 -14.232 24.646 350 HB2 LEU 45 2HB LEU 45 -2.981 -13.979 25.060 351 HB3 LEU 45 1HB LEU 45 -3.284 -15.122 23.763 352 HD11 LEU 45 1HD1 LEU 45 -2.016 -16.790 25.252 353 HD12 LEU 45 2HD1 LEU 45 -1.640 -15.509 26.406 354 HD13 LEU 45 3HD1 LEU 45 -0.337 -16.442 25.670 355 HD21 LEU 45 3HD2 LEU 45 -0.598 -14.924 22.315 356 HD22 LEU 45 1HD2 LEU 45 -1.421 -16.420 22.760 357 HD23 LEU 45 2HD2 LEU 45 0.237 -16.131 23.288 358 H VAL 46 H VAL 46 -4.177 -11.614 24.358 359 HA VAL 46 HA VAL 46 -6.685 -12.346 23.350 360 HB VAL 46 HB VAL 46 -5.859 -9.637 24.428 361 HG11 VAL 46 1HG1 VAL 46 -7.963 -9.505 23.217 362 HG12 VAL 46 2HG1 VAL 46 -8.247 -9.350 24.951 363 HG13 VAL 46 3HG1 VAL 46 -8.600 -10.871 24.130 364 HG21 VAL 46 3HG2 VAL 46 -6.715 -10.429 26.574 365 HG22 VAL 46 1HG2 VAL 46 -5.405 -11.461 26.005 366 HG23 VAL 46 2HG2 VAL 46 -7.077 -12.004 25.865 367 H GLU 47 H GLU 47 -4.599 -9.599 22.363 368 HA GLU 47 HA GLU 47 -6.264 -8.757 20.227 369 HB2 GLU 47 2HB GLU 47 -3.282 -8.352 20.585 370 HB3 GLU 47 1HB GLU 47 -4.295 -7.487 19.436 371 HG2 GLU 47 2HG GLU 47 -4.434 -7.356 22.442 372 HG3 GLU 47 1HG GLU 47 -3.878 -6.093 21.346 373 H ALA 48 H ALA 48 -3.489 -10.959 20.360 374 HA ALA 48 HA ALA 48 -3.262 -11.550 17.633 375 HB1 ALA 48 3HB ALA 48 -2.770 -13.413 19.961 376 HB2 ALA 48 1HB ALA 48 -1.615 -12.240 19.325 377 HB3 ALA 48 2HB ALA 48 -2.136 -13.597 18.325 378 H LEU 49 H LEU 49 -5.440 -12.836 20.089 379 HA LEU 49 HA LEU 49 -6.611 -14.879 18.496 380 HG LEU 49 HG LEU 49 -9.548 -14.473 19.839 381 HB2 LEU 49 2HB LEU 49 -6.757 -14.948 20.909 382 HB3 LEU 49 1HB LEU 49 -7.617 -13.418 20.941 383 HD11 LEU 49 1HD1 LEU 49 -8.376 -16.179 18.547 384 HD12 LEU 49 2HD1 LEU 49 -9.643 -16.898 19.539 385 HD13 LEU 49 3HD1 LEU 49 -7.954 -17.030 20.032 386 HD21 LEU 49 3HD2 LEU 49 -9.435 -14.416 22.283 387 HD22 LEU 49 1HD2 LEU 49 -8.613 -15.977 22.285 388 HD23 LEU 49 2HD2 LEU 49 -10.277 -15.857 21.711 389 H LYS 50 H LYS 50 -7.573 -11.525 19.201 390 HA LYS 50 HA LYS 50 -10.012 -11.458 17.843 391 HB2 LYS 50 2HB LYS 50 -7.973 -9.248 18.201 392 HB3 LYS 50 1HB LYS 50 -9.625 -9.000 17.654 393 HG2 LYS 50 2HG LYS 50 -10.477 -9.820 19.782 394 HG3 LYS 50 1HG LYS 50 -8.829 -10.137 20.332 395 HD2 LYS 50 2HD LYS 50 -8.307 -7.746 20.153 396 HD3 LYS 50 1HD LYS 50 -9.948 -7.426 19.588 397 HE2 LYS 50 2HE LYS 50 -10.858 -8.160 21.712 398 HE3 LYS 50 1HE LYS 50 -9.251 -8.619 22.273 399 HZ1 LYS 50 3HZ LYS 50 -10.169 -5.868 21.640 400 HZ2 LYS 50 1HZ LYS 50 -8.592 -6.283 22.091 401 HZ3 LYS 50 2HZ LYS 50 -9.869 -6.494 23.181 402 H ARG 51 H ARG 51 -6.798 -11.528 16.550 403 HA ARG 51 HA ARG 51 -7.672 -10.583 13.920 404 HE ARG 51 HE ARG 51 -5.008 -6.783 15.416 405 HB2 ARG 51 2HB ARG 51 -4.923 -11.239 15.006 406 HB3 ARG 51 1HB ARG 51 -5.235 -10.668 13.368 407 HG2 ARG 51 2HG ARG 51 -6.195 -8.601 14.264 408 HG3 ARG 51 1HG ARG 51 -5.888 -9.169 15.905 409 HD2 ARG 51 2HD ARG 51 -3.504 -9.128 15.522 410 HD3 ARG 51 1HD ARG 51 -3.748 -8.718 13.821 411 HH11 ARG 51 1HH1 ARG 51 -1.833 -7.830 14.605 412 HH12 ARG 51 2HH1 ARG 51 -1.142 -6.266 14.846 413 HH21 ARG 51 1HH2 ARG 51 -4.123 -4.788 15.686 414 HH22 ARG 51 2HH2 ARG 51 -2.427 -4.558 15.421 415 H HIS 52 H HIS 52 -8.339 -13.308 15.146 416 HA HIS 52 HA HIS 52 -7.398 -14.992 12.923 417 HD1 HIS 52 HD1 HIS 52 -6.537 -18.036 13.907 418 HD2 HIS 52 HD2 HIS 52 -6.316 -15.009 16.744 419 HE1 HIS 52 HE1 HIS 52 -4.342 -18.370 15.074 420 HE2 HIS 52 HE2 HIS 52 -4.174 -16.451 16.695 421 HB2 HIS 52 2HB HIS 52 -8.820 -15.617 15.510 422 HB3 HIS 52 1HB HIS 52 -8.720 -16.795 14.206 423 HA PRO 53 HA PRO 53 -11.091 -14.589 10.481 424 HB2 PRO 53 2HB PRO 53 -11.492 -17.274 9.819 425 HB3 PRO 53 1HB PRO 53 -10.444 -16.148 8.953 426 HG2 PRO 53 2HG PRO 53 -9.734 -18.179 11.035 427 HG3 PRO 53 1HG PRO 53 -8.859 -17.732 9.558 428 HD2 PRO 53 2HD PRO 53 -8.048 -16.854 11.949 429 HD3 PRO 53 1HD PRO 53 -7.972 -15.798 10.521 430 H ASP 54 H ASP 54 -11.191 -17.484 12.608 431 HA ASP 54 HA ASP 54 -13.997 -16.836 13.229 432 HB2 ASP 54 2HB ASP 54 -13.497 -19.127 12.375 433 HB3 ASP 54 1HB ASP 54 -12.495 -19.407 13.795 434 H ALA 55 H ALA 55 -12.813 -15.036 14.504 435 HA ALA 55 HA ALA 55 -11.821 -15.841 17.102 436 HB1 ALA 55 3HB ALA 55 -12.566 -13.095 16.086 437 HB2 ALA 55 1HB ALA 55 -10.962 -13.823 16.012 438 HB3 ALA 55 2HB ALA 55 -11.689 -13.451 17.575 439 H THR 56 H THR 56 -14.825 -14.613 15.747 440 HA THR 56 HA THR 56 -16.252 -13.876 17.982 441 HB THR 56 HB THR 56 -17.256 -13.468 15.877 442 HG1 THR 56 HG1 THR 56 -19.270 -15.003 16.178 443 HG21 THR 56 3HG2 THR 56 -18.009 -15.246 14.349 444 HG22 THR 56 1HG2 THR 56 -17.293 -16.458 15.412 445 HG23 THR 56 2HG2 THR 56 -16.262 -15.289 14.586 446 H SER 57 H SER 57 -15.969 -17.197 16.668 447 HA SER 57 HA SER 57 -17.793 -18.228 18.659 448 HG SER 57 HG SER 57 -18.447 -20.476 18.103 449 HB2 SER 57 2HB SER 57 -17.647 -19.202 16.368 450 HB3 SER 57 1HB SER 57 -16.032 -19.796 16.755 451 H LYS 58 H LYS 58 -14.360 -17.798 18.442 452 HA LYS 58 HA LYS 58 -13.777 -19.691 20.577 453 HB2 LYS 58 2HB LYS 58 -11.966 -17.664 19.237 454 HB3 LYS 58 1HB LYS 58 -11.451 -18.926 20.349 455 HG2 LYS 58 2HG LYS 58 -12.634 -19.310 17.601 456 HG3 LYS 58 1HG LYS 58 -10.961 -19.587 18.086 457 HD2 LYS 58 2HD LYS 58 -11.767 -21.361 19.650 458 HD3 LYS 58 1HD LYS 58 -13.397 -21.127 19.012 459 HE2 LYS 58 2HE LYS 58 -12.496 -21.658 16.738 460 HE3 LYS 58 1HE LYS 58 -10.960 -22.068 17.499 461 HZ1 LYS 58 3HZ LYS 58 -13.574 -23.403 17.938 462 HZ2 LYS 58 1HZ LYS 58 -12.163 -23.758 18.808 463 HZ3 LYS 58 2HZ LYS 58 -12.227 -24.042 17.142 464 H ILE 59 H ILE 59 -14.480 -16.311 20.243 465 HA ILE 59 HA ILE 59 -13.655 -15.748 23.007 466 HB ILE 59 HB ILE 59 -14.707 -13.857 20.883 467 HG12 ILE 59 2HG1 ILE 59 -11.882 -14.237 21.923 468 HG13 ILE 59 1HG1 ILE 59 -12.471 -14.820 20.370 469 HG21 ILE 59 1HG2 ILE 59 -13.966 -12.060 22.392 470 HG22 ILE 59 2HG2 ILE 59 -13.525 -13.263 23.604 471 HG23 ILE 59 3HG2 ILE 59 -15.214 -13.060 23.137 472 HD11 ILE 59 3HD1 ILE 59 -12.860 -12.525 19.654 473 HD12 ILE 59 1HD1 ILE 59 -11.182 -12.781 20.130 474 HD13 ILE 59 2HD1 ILE 59 -12.286 -11.938 21.216 475 H GLY 60 H GLY 60 -16.518 -14.838 21.042 476 HA2 GLY 60 2HA GLY 60 -18.768 -14.867 21.563 477 HA3 GLY 60 1HA GLY 60 -18.394 -15.883 22.945 478 HA PRO 61 HA PRO 61 -19.609 -12.212 25.261 479 HB2 PRO 61 2HB PRO 61 -19.086 -13.195 27.753 480 HB3 PRO 61 1HB PRO 61 -20.528 -13.619 26.826 481 HG2 PRO 61 2HG PRO 61 -17.966 -15.146 27.146 482 HG3 PRO 61 1HG PRO 61 -19.636 -15.741 27.213 483 HD2 PRO 61 2HD PRO 61 -18.100 -16.025 25.006 484 HD3 PRO 61 1HD PRO 61 -19.855 -15.763 24.905 485 H GLY 62 H GLY 62 -16.526 -13.888 25.847 486 HA2 GLY 62 2HA GLY 62 -14.795 -11.823 25.500 487 HA3 GLY 62 1HA GLY 62 -15.329 -11.601 27.159 488 H VAL 63 H VAL 63 -12.664 -12.025 26.627 489 HA VAL 63 HA VAL 63 -12.076 -14.850 27.062 490 HB VAL 63 HB VAL 63 -10.165 -12.504 26.889 491 HG11 VAL 63 1HG1 VAL 63 -9.652 -15.484 26.795 492 HG12 VAL 63 2HG1 VAL 63 -9.205 -14.388 28.104 493 HG13 VAL 63 3HG1 VAL 63 -8.444 -14.228 26.521 494 HG21 VAL 63 3HG2 VAL 63 -11.391 -12.801 24.798 495 HG22 VAL 63 1HG2 VAL 63 -10.979 -14.517 24.780 496 HG23 VAL 63 2HG2 VAL 63 -9.712 -13.303 24.602 497 H ARG 64 H ARG 64 -11.683 -15.751 28.990 498 HA ARG 64 HA ARG 64 -11.810 -14.144 31.402 499 HE ARG 64 HE ARG 64 -11.796 -16.695 35.557 500 HB2 ARG 64 2HB ARG 64 -12.975 -16.370 31.053 501 HB3 ARG 64 1HB ARG 64 -11.403 -17.138 31.147 502 HG2 ARG 64 2HG ARG 64 -12.363 -15.405 33.391 503 HG3 ARG 64 1HG ARG 64 -12.945 -17.060 33.232 504 HD2 ARG 64 2HD ARG 64 -10.543 -17.796 33.188 505 HD3 ARG 64 1HD ARG 64 -10.095 -16.139 33.594 506 HH11 ARG 64 1HH1 ARG 64 -9.211 -18.575 34.263 507 HH12 ARG 64 2HH1 ARG 64 -8.909 -19.388 35.759 508 HH21 ARG 64 1HH2 ARG 64 -11.376 -17.733 37.479 509 HH22 ARG 64 2HH2 ARG 64 -10.096 -18.891 37.566 510 H ASN 65 H ASN 65 -9.478 -16.496 30.025 511 HA ASN 65 HA ASN 65 -7.244 -14.811 30.385 512 HB2 ASN 65 2HB ASN 65 -6.058 -15.786 32.204 513 HB3 ASN 65 1HB ASN 65 -7.682 -15.475 32.806 514 HD21 ASN 65 1HD2 ASN 65 -5.348 -17.896 31.998 515 HD22 ASN 65 2HD2 ASN 65 -6.235 -19.239 32.625 516 H PHE 66 H PHE 66 -5.111 -16.212 30.191 517 HA PHE 66 HA PHE 66 -5.629 -18.539 28.446 518 HD1 PHE 66 HD1 PHE 66 -5.035 -14.754 27.782 519 HD2 PHE 66 HD2 PHE 66 -4.664 -18.304 25.453 520 HE1 PHE 66 HE1 PHE 66 -6.267 -13.683 25.947 521 HE2 PHE 66 HE2 PHE 66 -5.900 -17.230 23.620 522 HZ PHE 66 HZ PHE 66 -6.704 -14.918 23.865 523 HB2 PHE 66 2HB PHE 66 -3.383 -16.509 28.335 524 HB3 PHE 66 1HB PHE 66 -3.364 -18.021 27.436 525 H GLU 67 H GLU 67 -4.430 -20.401 28.767 526 HA GLU 67 HA GLU 67 -2.633 -20.446 31.114 527 HB2 GLU 67 2HB GLU 67 -4.808 -21.388 31.734 528 HB3 GLU 67 1HB GLU 67 -4.738 -22.500 30.376 529 HG2 GLU 67 2HG GLU 67 -2.872 -23.670 31.372 530 HG3 GLU 67 1HG GLU 67 -2.795 -22.496 32.685 531 H VAL 68 H VAL 68 -0.664 -21.273 30.706 532 HA VAL 68 HA VAL 68 -0.062 -22.543 28.186 533 HB VAL 68 HB VAL 68 1.658 -22.135 30.652 534 HG11 VAL 68 1HG1 VAL 68 3.570 -22.674 29.189 535 HG12 VAL 68 2HG1 VAL 68 2.449 -23.102 27.897 536 HG13 VAL 68 3HG1 VAL 68 2.480 -24.046 29.386 537 HG21 VAL 68 3HG2 VAL 68 1.514 -20.650 28.020 538 HG22 VAL 68 1HG2 VAL 68 2.725 -20.373 29.272 539 HG23 VAL 68 2HG2 VAL 68 1.026 -20.043 29.602 540 H ARG 69 H ARG 69 -0.787 -24.551 27.865 541 HA ARG 69 HA ARG 69 -0.636 -26.534 30.037 542 HE ARG 69 HE ARG 69 -5.321 -29.235 29.939 543 HB2 ARG 69 2HB ARG 69 -2.814 -25.442 30.136 544 HB3 ARG 69 1HB ARG 69 -3.080 -25.765 28.436 545 HG2 ARG 69 2HG ARG 69 -3.223 -28.146 28.880 546 HG3 ARG 69 1HG ARG 69 -2.877 -27.862 30.591 547 HD2 ARG 69 2HD ARG 69 -4.901 -26.440 30.724 548 HD3 ARG 69 1HD ARG 69 -5.259 -26.830 29.045 549 HH11 ARG 69 1HH1 ARG 69 -6.185 -26.468 31.792 550 HH12 ARG 69 2HH1 ARG 69 -7.444 -27.294 32.645 551 HH21 ARG 69 1HH2 ARG 69 -6.917 -30.299 31.040 552 HH22 ARG 69 2HH2 ARG 69 -7.847 -29.455 32.232 553 H SER 70 H SER 70 -0.917 -28.758 29.297 554 HA SER 70 HA SER 70 0.737 -29.306 27.084 555 HG SER 70 HG SER 70 -1.223 -32.054 29.365 556 HB2 SER 70 2HB SER 70 0.231 -31.680 27.521 557 HB3 SER 70 1HB SER 70 0.591 -30.811 29.013 558 H ALA 71 H ALA 71 0.300 -30.561 25.186 559 HA ALA 71 HA ALA 71 -2.491 -30.560 24.236 560 HB1 ALA 71 3HB ALA 71 -0.122 -29.646 22.599 561 HB2 ALA 71 1HB ALA 71 -1.365 -28.597 23.283 562 HB3 ALA 71 2HB ALA 71 -1.790 -29.774 22.039 563 H ASP 72 H ASP 72 0.796 -31.595 23.283 564 HA ASP 72 HA ASP 72 -0.296 -34.252 22.574 565 HB2 ASP 72 2HB ASP 72 2.167 -32.921 21.410 566 HB3 ASP 72 1HB ASP 72 1.472 -34.459 20.914 567 H TYR 73 H TYR 73 2.052 -35.656 22.317 568 HA TYR 73 HA TYR 73 2.706 -36.286 24.993 569 HD1 TYR 73 HD1 TYR 73 2.392 -39.216 24.870 570 HD2 TYR 73 HD2 TYR 73 2.388 -37.481 20.974 571 HE1 TYR 73 HE1 TYR 73 0.543 -40.698 24.211 572 HE2 TYR 73 HE2 TYR 73 0.540 -38.959 20.313 573 HH TYR 73 HH TYR 73 -0.400 -41.165 21.003 574 HB2 TYR 73 2HB TYR 73 4.217 -37.063 22.482 575 HB3 TYR 73 1HB TYR 73 4.310 -37.864 24.046 576 H GLY 74 H GLY 74 3.465 -34.393 25.987 577 HA2 GLY 74 2HA GLY 74 5.255 -33.242 26.919 578 HA3 GLY 74 1HA GLY 74 6.316 -33.981 25.734 579 H THR 75 H THR 75 3.423 -32.137 24.849 580 HA THR 75 HA THR 75 5.181 -29.941 23.910 581 HB THR 75 HB THR 75 3.799 -29.573 21.979 582 HG1 THR 75 HG1 THR 75 1.957 -30.893 21.578 583 HG21 THR 75 3HG2 THR 75 5.503 -31.322 21.729 584 HG22 THR 75 1HG2 THR 75 4.090 -31.666 20.736 585 HG23 THR 75 2HG2 THR 75 4.337 -32.539 22.248 586 H GLN 76 H GLN 76 4.425 -27.834 24.062 587 HA GLN 76 HA GLN 76 2.213 -27.427 25.966 588 HB2 GLN 76 2HB GLN 76 4.486 -25.587 25.178 589 HB3 GLN 76 1HB GLN 76 3.252 -25.218 26.374 590 HG2 GLN 76 2HG GLN 76 4.056 -26.967 27.821 591 HG3 GLN 76 1HG GLN 76 5.199 -27.508 26.593 592 HE21 GLN 76 1HE2 GLN 76 4.461 -24.973 28.880 593 HE22 GLN 76 2HE2 GLN 76 6.029 -24.260 28.891 594 H CYS 77 H CYS 77 0.583 -25.905 25.577 595 HA CYS 77 HA CYS 77 0.635 -24.292 23.137 596 HG CYS 77 HG CYS 77 1.022 -26.614 21.852 597 HB2 CYS 77 2HB CYS 77 -1.535 -26.319 23.732 598 HB3 CYS 77 1HB CYS 77 -1.735 -24.996 22.587 599 H PHE 78 H PHE 78 -1.001 -22.599 23.123 600 HA PHE 78 HA PHE 78 -1.650 -21.655 25.796 601 HD1 PHE 78 HD2 PHE 78 -0.613 -19.342 26.374 602 HD2 PHE 78 HD1 PHE 78 0.160 -20.063 22.245 603 HE1 PHE 78 HE2 PHE 78 1.659 -18.432 26.642 604 HE2 PHE 78 HE1 PHE 78 2.431 -19.157 22.509 605 HZ PHE 78 HZ PHE 78 3.183 -18.338 24.709 606 HB2 PHE 78 2HB PHE 78 -1.987 -20.386 23.069 607 HB3 PHE 78 1HB PHE 78 -2.468 -19.611 24.573 608 H TRP 79 H TRP 79 -3.481 -22.273 26.741 609 HA TRP 79 HA TRP 79 -5.812 -22.982 25.115 610 HD1 TRP 79 HD1 TRP 79 -3.104 -24.748 26.388 611 HE1 TRP 79 HE1 TRP 79 -3.122 -27.261 25.827 612 HE3 TRP 79 HE3 TRP 79 -8.077 -25.699 27.092 613 HZ2 TRP 79 HZ2 TRP 79 -5.000 -29.362 25.680 614 HZ3 TRP 79 HZ3 TRP 79 -8.906 -27.982 26.712 615 HH2 TRP 79 HH2 TRP 79 -7.397 -29.778 26.022 616 HB2 TRP 79 2HB TRP 79 -5.154 -23.397 28.034 617 HB3 TRP 79 1HB TRP 79 -6.747 -23.735 27.364 618 H ILE 80 H ILE 80 -7.614 -21.791 24.991 619 HA ILE 80 HA ILE 80 -7.670 -19.165 26.248 620 HB ILE 80 HB ILE 80 -9.639 -20.358 24.278 621 HG12 ILE 80 2HG1 ILE 80 -7.271 -18.549 23.717 622 HG13 ILE 80 1HG1 ILE 80 -7.329 -20.272 23.359 623 HG21 ILE 80 1HG2 ILE 80 -10.233 -17.999 23.839 624 HG22 ILE 80 2HG2 ILE 80 -9.133 -17.500 25.125 625 HG23 ILE 80 3HG2 ILE 80 -10.553 -18.475 25.507 626 HD11 ILE 80 3HD1 ILE 80 -7.745 -18.933 21.374 627 HD12 ILE 80 1HD1 ILE 80 -9.120 -18.164 22.167 628 HD13 ILE 80 2HD1 ILE 80 -9.165 -19.889 21.799 629 H LEU 81 H LEU 81 -8.521 -19.111 28.277 630 HA LEU 81 HA LEU 81 -10.846 -20.725 28.978 631 HG LEU 81 HG LEU 81 -8.688 -20.560 32.050 632 HB2 LEU 81 2HB LEU 81 -9.244 -18.685 30.539 633 HB3 LEU 81 1HB LEU 81 -10.663 -19.491 31.177 634 HD11 LEU 81 1HD1 LEU 81 -9.065 -22.862 31.367 635 HD12 LEU 81 2HD1 LEU 81 -9.954 -22.313 29.945 636 HD13 LEU 81 3HD1 LEU 81 -10.592 -22.004 31.561 637 HD21 LEU 81 3HD2 LEU 81 -7.027 -21.644 30.629 638 HD22 LEU 81 1HD2 LEU 81 -7.094 -19.911 30.315 639 HD23 LEU 81 2HD2 LEU 81 -7.845 -21.040 29.188 640 H ARG 82 H ARG 82 -12.904 -20.020 28.771 641 HA ARG 82 HA ARG 82 -13.289 -17.225 27.896 642 HE ARG 82 HE ARG 82 -15.660 -17.977 24.715 643 HB2 ARG 82 2HB ARG 82 -15.045 -19.637 27.410 644 HB3 ARG 82 1HB ARG 82 -15.296 -18.024 26.751 645 HG2 ARG 82 2HG ARG 82 -13.229 -18.204 25.476 646 HG3 ARG 82 1HG ARG 82 -12.922 -19.797 26.172 647 HD2 ARG 82 2HD ARG 82 -13.874 -19.981 23.926 648 HD3 ARG 82 1HD ARG 82 -14.964 -20.652 25.141 649 HH11 ARG 82 1HH1 ARG 82 -15.729 -21.008 23.075 650 HH12 ARG 82 2HH1 ARG 82 -17.042 -20.536 22.057 651 HH21 ARG 82 1HH2 ARG 82 -17.341 -17.406 23.446 652 HH22 ARG 82 2HH2 ARG 82 -17.946 -18.507 22.257 653 H THR 83 H THR 83 -14.981 -15.967 28.685 654 HA THR 83 HA THR 83 -15.567 -16.303 31.439 655 HB THR 83 HB THR 83 -17.015 -14.312 31.203 656 HG1 THR 83 HG1 THR 83 -17.412 -13.435 29.206 657 HG21 THR 83 3HG2 THR 83 -15.269 -12.743 30.447 658 HG22 THR 83 1HG2 THR 83 -14.363 -14.093 29.761 659 HG23 THR 83 2HG2 THR 83 -14.610 -13.992 31.503 660 H ASP 84 H ASP 84 -17.237 -17.399 28.608 661 HA ASP 84 HA ASP 84 -19.804 -17.697 29.856 662 HB2 ASP 84 2HB ASP 84 -20.352 -19.092 27.866 663 HB3 ASP 84 1HB ASP 84 -19.701 -17.510 27.451 664 H GLY 85 H GLY 85 -16.904 -19.619 29.761 665 HA2 GLY 85 2HA GLY 85 -16.794 -21.201 31.696 666 HA3 GLY 85 1HA GLY 85 -18.342 -21.814 31.147 667 H SER 86 H SER 86 -16.895 -21.305 28.315 668 HA SER 86 HA SER 86 -16.004 -24.080 28.098 669 HG SER 86 HG SER 86 -18.297 -22.366 26.631 670 HB2 SER 86 2HB SER 86 -16.253 -21.966 25.938 671 HB3 SER 86 1HB SER 86 -15.987 -23.690 25.680 672 H GLU 87 H GLU 87 -13.961 -24.733 27.278 673 HA GLU 87 HA GLU 87 -11.912 -22.650 26.952 674 HB2 GLU 87 2HB GLU 87 -10.279 -23.896 28.250 675 HB3 GLU 87 1HB GLU 87 -11.677 -23.522 29.244 676 HG2 GLU 87 2HG GLU 87 -11.281 -26.190 27.901 677 HG3 GLU 87 1HG GLU 87 -10.684 -25.823 29.517 678 H GLU 88 H GLU 88 -10.387 -23.045 25.410 679 HA GLU 88 HA GLU 88 -10.165 -25.698 24.190 680 HB2 GLU 88 2HB GLU 88 -11.027 -23.214 22.703 681 HB3 GLU 88 1HB GLU 88 -10.258 -24.563 21.879 682 HG2 GLU 88 2HG GLU 88 -12.078 -26.037 22.621 683 HG3 GLU 88 1HG GLU 88 -12.851 -24.665 23.416 684 H ARG 89 H ARG 89 -8.461 -25.472 22.273 685 HA ARG 89 HA ARG 89 -6.345 -23.553 23.029 686 HE ARG 89 HE ARG 89 -5.678 -29.175 20.834 687 HB2 ARG 89 2HB ARG 89 -4.645 -25.263 22.504 688 HB3 ARG 89 1HB ARG 89 -5.679 -25.756 23.837 689 HG2 ARG 89 2HG ARG 89 -6.966 -27.181 22.299 690 HG3 ARG 89 1HG ARG 89 -5.894 -26.705 20.981 691 HD2 ARG 89 2HD ARG 89 -3.991 -27.688 22.176 692 HD3 ARG 89 1HD ARG 89 -5.061 -28.153 23.499 693 HH11 ARG 89 1HH1 ARG 89 -4.441 -29.765 23.989 694 HH12 ARG 89 2HH1 ARG 89 -4.537 -31.482 23.827 695 HH21 ARG 89 1HH2 ARG 89 -5.785 -31.374 20.629 696 HH22 ARG 89 2HH2 ARG 89 -5.279 -32.387 21.938 697 H PHE 90 H PHE 90 -5.438 -22.426 21.361 698 HA PHE 90 HA PHE 90 -6.451 -23.050 18.661 699 HD1 PHE 90 HD1 PHE 90 -5.824 -20.635 21.834 700 HD2 PHE 90 HD2 PHE 90 -4.475 -19.167 18.067 701 HE1 PHE 90 HE1 PHE 90 -4.341 -19.045 22.984 702 HE2 PHE 90 HE2 PHE 90 -2.988 -17.583 19.217 703 HZ PHE 90 HZ PHE 90 -2.920 -17.519 21.677 704 HB2 PHE 90 2HB PHE 90 -6.212 -20.698 18.116 705 HB3 PHE 90 1HB PHE 90 -7.165 -20.869 19.582 706 H SER 91 H SER 91 -5.079 -23.710 17.147 707 HA SER 91 HA SER 91 -2.264 -23.905 17.670 708 HG SER 91 HG SER 91 -2.856 -26.682 16.208 709 HB2 SER 91 2HB SER 91 -3.837 -24.511 15.147 710 HB3 SER 91 1HB SER 91 -2.132 -24.894 15.384 711 H TYR 92 H TYR 92 -1.885 -21.587 17.983 712 HA TYR 92 HA TYR 92 -2.146 -19.613 16.051 713 HD1 TYR 92 HD1 TYR 92 -0.805 -21.306 19.547 714 HD2 TYR 92 HD2 TYR 92 1.915 -18.836 17.384 715 HE1 TYR 92 HE1 TYR 92 1.079 -22.351 20.726 716 HE2 TYR 92 HE2 TYR 92 3.803 -19.884 18.556 717 HH TYR 92 HH TYR 92 4.193 -21.085 20.708 718 HB2 TYR 92 2HB TYR 92 -0.401 -18.389 17.261 719 HB3 TYR 92 1HB TYR 92 -1.527 -19.148 18.378 720 H LYS 93 H LYS 93 0.382 -22.031 16.386 721 HA LYS 93 HA LYS 93 2.230 -20.935 14.553 722 HB2 LYS 93 2HB LYS 93 3.220 -23.229 14.545 723 HB3 LYS 93 1HB LYS 93 2.970 -22.558 16.151 724 HG2 LYS 93 2HG LYS 93 0.940 -23.905 16.404 725 HG3 LYS 93 1HG LYS 93 1.184 -24.577 14.790 726 HD2 LYS 93 2HD LYS 93 3.299 -25.569 15.504 727 HD3 LYS 93 1HD LYS 93 3.113 -24.851 17.105 728 HE2 LYS 93 2HE LYS 93 1.122 -26.191 17.507 729 HE3 LYS 93 1HE LYS 93 1.215 -26.858 15.877 730 HZ1 LYS 93 3HZ LYS 93 2.111 -28.395 17.500 731 HZ2 LYS 93 1HZ LYS 93 3.230 -27.243 18.029 732 HZ3 LYS 93 2HZ LYS 93 3.338 -27.870 16.465 733 H LYS 94 H LYS 94 -0.785 -22.410 13.956 734 HA LYS 94 HA LYS 94 -0.045 -22.999 11.155 735 HB2 LYS 94 2HB LYS 94 -2.380 -23.982 12.813 736 HB3 LYS 94 1HB LYS 94 -2.192 -24.303 11.094 737 HG2 LYS 94 2HG LYS 94 -0.346 -25.217 13.303 738 HG3 LYS 94 1HG LYS 94 -1.474 -26.220 12.386 739 HD2 LYS 94 2HD LYS 94 -0.218 -25.672 10.321 740 HD3 LYS 94 1HD LYS 94 0.939 -24.763 11.295 741 HE2 LYS 94 2HE LYS 94 1.839 -26.957 10.838 742 HE3 LYS 94 1HE LYS 94 1.451 -26.841 12.554 743 HZ1 LYS 94 3HZ LYS 94 -0.205 -28.169 10.478 744 HZ2 LYS 94 1HZ LYS 94 -0.612 -28.045 12.112 745 HZ3 LYS 94 2HZ LYS 94 0.734 -28.947 11.642 746 H CYS 95 H CYS 95 -0.730 -20.366 12.456 747 HA CYS 95 HA CYS 95 -3.087 -19.612 10.847 748 HG CYS 95 HG CYS 95 -4.715 -17.382 11.634 749 HB2 CYS 95 2HB CYS 95 -3.219 -19.092 13.252 750 HB3 CYS 95 1HB CYS 95 -1.734 -18.153 13.138 751 H VAL 96 H VAL 96 -0.780 -20.006 9.361 752 HA VAL 96 HA VAL 96 0.532 -17.399 9.079 753 HB VAL 96 HB VAL 96 1.232 -20.011 7.713 754 HG11 VAL 96 1HG1 VAL 96 3.368 -18.905 7.194 755 HG12 VAL 96 2HG1 VAL 96 2.765 -17.409 7.907 756 HG13 VAL 96 3HG1 VAL 96 2.006 -18.062 6.456 757 HG21 VAL 96 3HG2 VAL 96 2.469 -18.686 10.135 758 HG22 VAL 96 1HG2 VAL 96 3.076 -20.137 9.334 759 HG23 VAL 96 2HG2 VAL 96 1.506 -20.164 10.139 760 H LEU 97 H LEU 97 0.005 -19.644 6.378 761 HA LEU 97 HA LEU 97 -1.814 -17.844 5.008 762 HG LEU 97 HG LEU 97 0.569 -16.150 5.548 763 HB2 LEU 97 2HB LEU 97 1.067 -18.153 4.154 764 HB3 LEU 97 1HB LEU 97 -0.187 -17.652 3.036 765 HD11 LEU 97 1HD1 LEU 97 1.261 -15.578 2.669 766 HD12 LEU 97 2HD1 LEU 97 2.381 -16.121 3.919 767 HD13 LEU 97 3HD1 LEU 97 1.616 -14.537 4.050 768 HD21 LEU 97 3HD2 LEU 97 -1.237 -15.407 3.245 769 HD22 LEU 97 1HD2 LEU 97 -0.800 -14.358 4.596 770 HD23 LEU 97 2HD2 LEU 97 -1.753 -15.814 4.882 771 H GLU 98 H GLU 98 -2.637 -18.703 3.013 772 HA GLU 98 HA GLU 98 -2.389 -21.597 2.759 773 HB2 GLU 98 2HB GLU 98 -4.172 -19.607 1.340 774 HB3 GLU 98 1HB GLU 98 -4.180 -21.334 1.014 775 HG2 GLU 98 2HG GLU 98 -4.810 -21.736 3.375 776 HG3 GLU 98 1HG GLU 98 -4.902 -19.990 3.612 777 H HIS 99 H HIS 99 -1.461 -22.669 1.082 778 HA HIS 99 HA HIS 99 -0.801 -21.495 -1.424 779 HD1 HIS 99 HD1 HIS 99 3.062 -23.415 -0.147 780 HD2 HIS 99 HD2 HIS 99 0.994 -21.116 2.626 781 HE1 HIS 99 HE1 HIS 99 3.945 -24.109 2.091 782 HE2 HIS 99 HE2 HIS 99 2.855 -22.544 3.717 783 HB2 HIS 99 2HB HIS 99 1.672 -21.610 -1.231 784 HB3 HIS 99 1HB HIS 99 0.970 -20.389 -0.177 785 H HIS 100 H HIS 100 -0.522 -23.089 -2.937 786 HA HIS 100 HA HIS 100 -1.074 -25.758 -2.266 787 HD1 HIS 100 HD1 HIS 100 0.049 -26.319 -6.821 788 HD2 HIS 100 HD2 HIS 100 -1.359 -27.965 -3.277 789 HE1 HIS 100 HE1 HIS 100 -0.236 -28.763 -7.282 790 HE2 HIS 100 HE2 HIS 100 -0.895 -29.763 -5.076 791 HB2 HIS 100 2HB HIS 100 -1.520 -24.781 -4.495 792 HB3 HIS 100 1HB HIS 100 0.212 -24.718 -4.808 793 H HIS 101 H HIS 101 0.198 -27.041 -1.105 794 HA HIS 101 HA HIS 101 2.909 -26.762 -0.603 795 HD1 HIS 101 HD1 HIS 101 2.382 -31.090 -1.262 796 HD2 HIS 101 HD2 HIS 101 -1.039 -28.938 -0.296 797 HE1 HIS 101 HE1 HIS 101 0.456 -32.514 -2.006 798 HE2 HIS 101 HE2 HIS 101 -1.592 -31.275 -1.245 799 HB2 HIS 101 2HB HIS 101 2.831 -29.071 0.268 800 HB3 HIS 101 1HB HIS 101 1.444 -28.122 0.794 801 H HIS 102 H HIS 102 4.716 -28.150 -1.138 802 HA HIS 102 HA HIS 102 5.351 -28.414 -3.809 803 HD1 HIS 102 HD1 HIS 102 7.063 -32.195 -2.291 804 HD2 HIS 102 HD2 HIS 102 5.759 -29.459 0.546 805 HE1 HIS 102 HE1 HIS 102 6.717 -33.517 -0.191 806 HE2 HIS 102 HE2 HIS 102 5.767 -31.873 1.454 807 HB2 HIS 102 2HB HIS 102 7.217 -29.803 -3.103 808 HB3 HIS 102 1HB HIS 102 6.971 -28.529 -1.913 809 H HIS 103 H HIS 103 5.481 -30.197 -5.275 810 HA HIS 103 HA HIS 103 3.431 -32.171 -5.112 811 HD1 HIS 103 HD1 HIS 103 6.124 -30.004 -7.887 812 HD2 HIS 103 HD2 HIS 103 7.371 -33.758 -6.612 813 HE1 HIS 103 HE1 HIS 103 8.592 -30.076 -8.330 814 HE2 HIS 103 HE2 HIS 103 9.352 -32.284 -7.395 815 HB2 HIS 103 2HB HIS 103 4.547 -33.193 -7.102 816 HB3 HIS 103 1HB HIS 103 4.209 -31.477 -7.290 817 H HIS 104 H HIS 104 4.046 -34.601 -5.403 818 HA HIS 104 HA HIS 104 4.839 -35.489 -2.894 819 HD1 HIS 104 HD1 HIS 104 2.560 -38.713 -5.363 820 HD2 HIS 104 HD2 HIS 104 2.414 -35.038 -3.441 821 HE1 HIS 104 HE1 HIS 104 0.126 -38.211 -5.067 822 HE2 HIS 104 HE2 HIS 104 0.071 -35.887 -4.117 823 HB2 HIS 104 2HB HIS 104 4.813 -37.067 -5.475 824 HB3 HIS 104 1HB HIS 104 4.846 -37.761 -3.857 Start of MODEL 17 1 HA MET 1 HA MET 1 2.093 0.700 1.389 2 H1 MET 1 1H MET 1 0.674 2.028 2.787 3 H2 MET 1 2H MET 1 -0.644 1.009 2.492 4 H3 MET 1 3H MET 1 0.019 1.918 1.232 5 HB2 MET 1 2HB MET 1 0.613 -1.031 3.391 6 HB3 MET 1 1HB MET 1 2.249 -1.291 2.799 7 HG2 MET 1 2HG MET 1 2.323 -0.351 5.004 8 HG3 MET 1 1HG MET 1 2.938 0.827 3.842 9 HE1 MET 1 3HE MET 1 2.668 2.728 5.739 10 HE2 MET 1 1HE MET 1 2.036 1.515 6.849 11 HE3 MET 1 2HE MET 1 1.153 3.022 6.596 12 H ALA 2 H ALA 2 2.223 -0.467 -0.439 13 HA ALA 2 HA ALA 2 -0.109 -1.811 -1.519 14 HB1 ALA 2 3HB ALA 2 1.328 -2.289 -3.449 15 HB2 ALA 2 1HB ALA 2 2.722 -1.659 -2.570 16 HB3 ALA 2 2HB ALA 2 1.392 -0.583 -3.006 17 H LYS 3 H LYS 3 2.767 -2.681 0.216 18 HA LYS 3 HA LYS 3 2.274 -5.551 -0.122 19 HB2 LYS 3 2HB LYS 3 4.366 -5.847 1.120 20 HB3 LYS 3 1HB LYS 3 4.595 -4.742 -0.230 21 HG2 LYS 3 2HG LYS 3 4.399 -2.834 1.331 22 HG3 LYS 3 1HG LYS 3 4.266 -3.975 2.669 23 HD2 LYS 3 2HD LYS 3 6.624 -3.742 0.792 24 HD3 LYS 3 1HD LYS 3 6.550 -3.079 2.424 25 HE2 LYS 3 2HE LYS 3 6.321 -5.320 3.348 26 HE3 LYS 3 1HE LYS 3 6.311 -6.007 1.724 27 HZ1 LYS 3 3HZ LYS 3 8.489 -6.191 2.757 28 HZ2 LYS 3 1HZ LYS 3 8.567 -4.512 2.948 29 HZ3 LYS 3 2HZ LYS 3 8.555 -5.186 1.398 30 H ALA 4 H ALA 4 2.637 -6.819 2.081 31 HA ALA 4 HA ALA 4 0.572 -5.987 3.904 32 HB1 ALA 4 3HB ALA 4 2.534 -8.269 4.172 33 HB2 ALA 4 1HB ALA 4 0.968 -8.360 3.363 34 HB3 ALA 4 2HB ALA 4 1.048 -8.046 5.096 35 H GLN 5 H GLN 5 0.771 -5.060 5.898 36 HA GLN 5 HA GLN 5 3.174 -3.649 6.535 37 HB2 GLN 5 2HB GLN 5 0.615 -4.036 8.112 38 HB3 GLN 5 1HB GLN 5 1.907 -2.934 8.573 39 HG2 GLN 5 2HG GLN 5 1.573 -1.668 6.508 40 HG3 GLN 5 1HG GLN 5 0.290 -2.779 6.031 41 HE21 GLN 5 1HE2 GLN 5 0.749 -1.713 9.335 42 HE22 GLN 5 2HE2 GLN 5 -0.675 -0.743 9.410 43 HA PRO 6 HA PRO 6 5.383 -6.347 9.368 44 HB2 PRO 6 2HB PRO 6 5.306 -4.025 11.259 45 HB3 PRO 6 1HB PRO 6 6.683 -4.999 10.727 46 HG2 PRO 6 2HG PRO 6 6.309 -2.557 9.744 47 HG3 PRO 6 1HG PRO 6 6.861 -3.877 8.694 48 HD2 PRO 6 2HD PRO 6 4.145 -2.641 8.920 49 HD3 PRO 6 1HD PRO 6 4.997 -3.235 7.480 50 H ILE 7 H ILE 7 4.954 -7.652 11.166 51 HA ILE 7 HA ILE 7 2.177 -7.822 11.842 52 HB ILE 7 HB ILE 7 4.526 -9.434 12.882 53 HG12 ILE 7 2HG1 ILE 7 3.493 -11.235 11.417 54 HG13 ILE 7 1HG1 ILE 7 2.443 -9.995 10.746 55 HG21 ILE 7 1HG2 ILE 7 2.838 -11.031 13.715 56 HG22 ILE 7 2HG2 ILE 7 1.562 -9.901 13.262 57 HG23 ILE 7 3HG2 ILE 7 2.725 -9.463 14.514 58 HD11 ILE 7 3HD1 ILE 7 4.367 -8.819 9.855 59 HD12 ILE 7 1HD1 ILE 7 4.347 -10.493 9.301 60 HD13 ILE 7 2HD1 ILE 7 5.450 -10.003 10.587 61 H GLU 8 H GLU 8 1.582 -6.030 13.026 62 HA GLU 8 HA GLU 8 2.904 -5.607 15.626 63 HB2 GLU 8 2HB GLU 8 2.633 -3.703 13.927 64 HB3 GLU 8 1HB GLU 8 0.919 -3.745 14.306 65 HG2 GLU 8 2HG GLU 8 3.070 -3.296 16.375 66 HG3 GLU 8 1HG GLU 8 2.276 -1.993 15.499 67 H ILE 9 H ILE 9 1.961 -6.740 17.214 68 HA ILE 9 HA ILE 9 -0.992 -6.832 17.341 69 HB ILE 9 HB ILE 9 0.924 -9.021 18.185 70 HG12 ILE 9 2HG1 ILE 9 -1.095 -8.929 15.918 71 HG13 ILE 9 1HG1 ILE 9 0.655 -8.861 15.735 72 HG21 ILE 9 1HG2 ILE 9 -1.094 -10.339 18.666 73 HG22 ILE 9 2HG2 ILE 9 -2.098 -8.938 18.288 74 HG23 ILE 9 3HG2 ILE 9 -1.007 -8.894 19.672 75 HD11 ILE 9 3HD1 ILE 9 0.834 -11.122 16.649 76 HD12 ILE 9 1HD1 ILE 9 -0.201 -11.071 15.222 77 HD13 ILE 9 2HD1 ILE 9 -0.920 -11.186 16.828 78 H ALA 10 H ALA 10 -1.666 -5.606 18.992 79 HA ALA 10 HA ALA 10 -2.101 -4.960 21.135 80 HB1 ALA 10 3HB ALA 10 -1.997 -7.370 21.626 81 HB2 ALA 10 1HB ALA 10 -1.435 -6.392 22.982 82 HB3 ALA 10 2HB ALA 10 -0.269 -7.220 21.948 83 H GLY 11 H GLY 11 0.318 -3.927 19.654 84 HA2 GLY 11 2HA GLY 11 1.657 -2.071 20.286 85 HA3 GLY 11 1HA GLY 11 1.609 -2.622 21.954 86 H HIS 12 H HIS 12 2.324 -4.781 19.305 87 HA HIS 12 HA HIS 12 5.200 -4.744 19.946 88 HD1 HIS 12 HD1 HIS 12 6.114 -6.489 22.424 89 HD2 HIS 12 HD2 HIS 12 1.978 -6.740 22.081 90 HE1 HIS 12 HE1 HIS 12 5.239 -6.448 24.774 91 HE2 HIS 12 HE2 HIS 12 2.737 -6.421 24.530 92 HB2 HIS 12 2HB HIS 12 3.531 -7.275 19.826 93 HB3 HIS 12 1HB HIS 12 5.271 -7.196 20.067 94 H GLU 13 H GLU 13 6.015 -4.137 18.013 95 HA GLU 13 HA GLU 13 4.874 -5.130 15.522 96 HB2 GLU 13 2HB GLU 13 6.481 -3.576 14.448 97 HB3 GLU 13 1HB GLU 13 5.439 -2.783 15.622 98 HG2 GLU 13 2HG GLU 13 7.298 -2.936 17.280 99 HG3 GLU 13 1HG GLU 13 8.328 -3.564 15.996 100 H PHE 14 H PHE 14 5.738 -6.655 14.230 101 HA PHE 14 HA PHE 14 8.426 -7.699 14.871 102 HD1 PHE 14 HD1 PHE 14 8.664 -9.866 16.546 103 HD2 PHE 14 HD2 PHE 14 4.540 -9.015 15.900 104 HE1 PHE 14 HE1 PHE 14 8.214 -10.231 18.936 105 HE2 PHE 14 HE2 PHE 14 4.088 -9.379 18.289 106 HZ PHE 14 HZ PHE 14 5.927 -9.991 19.811 107 HB2 PHE 14 2HB PHE 14 5.978 -9.291 14.053 108 HB3 PHE 14 1HB PHE 14 7.595 -9.958 14.257 109 H ALA 15 H ALA 15 9.735 -8.329 13.166 110 HA ALA 15 HA ALA 15 9.355 -6.848 10.753 111 HB1 ALA 15 3HB ALA 15 11.528 -7.754 10.088 112 HB2 ALA 15 1HB ALA 15 11.473 -8.888 11.438 113 HB3 ALA 15 2HB ALA 15 11.562 -7.153 11.745 114 H ARG 16 H ARG 16 9.155 -10.315 11.507 115 HA ARG 16 HA ARG 16 7.846 -10.721 8.913 116 HE ARG 16 HE ARG 16 12.724 -13.391 11.252 117 HB2 ARG 16 2HB ARG 16 9.057 -12.836 8.530 118 HB3 ARG 16 1HB ARG 16 10.116 -11.439 8.500 119 HG2 ARG 16 2HG ARG 16 9.825 -13.163 10.950 120 HG3 ARG 16 1HG ARG 16 10.961 -13.545 9.660 121 HD2 ARG 16 2HD ARG 16 11.938 -11.238 9.987 122 HD3 ARG 16 1HD ARG 16 10.924 -11.095 11.423 123 HH11 ARG 16 1HH1 ARG 16 12.073 -10.295 12.629 124 HH12 ARG 16 2HH1 ARG 16 13.211 -10.509 13.908 125 HH21 ARG 16 1HH2 ARG 16 14.187 -13.640 12.891 126 HH22 ARG 16 2HH2 ARG 16 14.393 -12.382 14.059 127 H LYS 17 H LYS 17 6.756 -12.955 8.816 128 HA LYS 17 HA LYS 17 4.824 -12.996 10.848 129 HB2 LYS 17 2HB LYS 17 4.694 -13.908 8.437 130 HB3 LYS 17 1HB LYS 17 5.401 -15.378 9.092 131 HG2 LYS 17 2HG LYS 17 3.038 -15.678 9.015 132 HG3 LYS 17 1HG LYS 17 3.491 -15.485 10.711 133 HD2 LYS 17 2HD LYS 17 2.768 -13.173 10.683 134 HD3 LYS 17 1HD LYS 17 2.446 -13.260 8.950 135 HE2 LYS 17 2HE LYS 17 0.718 -14.987 9.414 136 HE3 LYS 17 1HE LYS 17 0.999 -14.756 11.140 137 HZ1 LYS 17 3HZ LYS 17 -0.911 -13.484 10.320 138 HZ2 LYS 17 1HZ LYS 17 0.101 -12.630 9.267 139 HZ3 LYS 17 2HZ LYS 17 0.291 -12.475 10.937 140 H ALA 18 H ALA 18 7.557 -15.211 10.285 141 HA ALA 18 HA ALA 18 7.061 -16.937 12.463 142 HB1 ALA 18 3HB ALA 18 9.339 -17.734 12.135 143 HB2 ALA 18 1HB ALA 18 9.701 -16.330 11.129 144 HB3 ALA 18 2HB ALA 18 8.525 -17.525 10.584 145 H ASP 19 H ASP 19 8.350 -13.755 12.366 146 HA ASP 19 HA ASP 19 9.976 -13.773 14.691 147 HB2 ASP 19 2HB ASP 19 9.898 -12.036 12.832 148 HB3 ASP 19 1HB ASP 19 8.420 -11.431 13.562 149 H ALA 20 H ALA 20 6.545 -13.056 14.144 150 HA ALA 20 HA ALA 20 5.916 -12.381 16.841 151 HB1 ALA 20 3HB ALA 20 4.067 -13.355 14.660 152 HB2 ALA 20 1HB ALA 20 4.541 -11.676 14.925 153 HB3 ALA 20 2HB ALA 20 3.594 -12.527 16.145 154 H LEU 21 H LEU 21 5.469 -15.367 14.933 155 HA LEU 21 HA LEU 21 4.325 -16.916 16.989 156 HG LEU 21 HG LEU 21 3.877 -16.673 13.908 157 HB2 LEU 21 2HB LEU 21 5.947 -17.778 14.590 158 HB3 LEU 21 1HB LEU 21 5.045 -18.876 15.621 159 HD11 LEU 21 1HD1 LEU 21 4.629 -18.578 12.606 160 HD12 LEU 21 2HD1 LEU 21 2.868 -18.516 12.651 161 HD13 LEU 21 3HD1 LEU 21 3.734 -19.676 13.659 162 HD21 LEU 21 3HD2 LEU 21 2.588 -16.907 15.953 163 HD22 LEU 21 1HD2 LEU 21 2.507 -18.657 15.733 164 HD23 LEU 21 2HD2 LEU 21 1.690 -17.583 14.596 165 H ALA 22 H ALA 22 7.702 -16.363 16.091 166 HA ALA 22 HA ALA 22 8.942 -18.139 17.856 167 HB1 ALA 22 3HB ALA 22 10.182 -16.915 16.149 168 HB2 ALA 22 1HB ALA 22 10.887 -16.638 17.743 169 HB3 ALA 22 2HB ALA 22 9.880 -15.397 16.996 170 H PHE 23 H PHE 23 8.108 -14.707 18.368 171 HA PHE 23 HA PHE 23 8.746 -14.399 21.028 172 HD1 PHE 23 HD1 PHE 23 8.716 -11.774 21.969 173 HD2 PHE 23 HD2 PHE 23 4.691 -12.824 21.042 174 HE1 PHE 23 HE1 PHE 23 7.937 -10.520 23.937 175 HE2 PHE 23 HE2 PHE 23 3.909 -11.575 23.011 176 HZ PHE 23 HZ PHE 23 5.530 -10.420 24.460 177 HB2 PHE 23 2HB PHE 23 7.984 -12.543 19.665 178 HB3 PHE 23 1HB PHE 23 6.393 -13.271 19.489 179 H MET 24 H MET 24 5.666 -15.623 19.711 180 HA MET 24 HA MET 24 4.343 -16.111 22.125 181 HB2 MET 24 2HB MET 24 4.120 -17.681 19.546 182 HB3 MET 24 1HB MET 24 2.954 -17.702 20.861 183 HG2 MET 24 2HG MET 24 2.473 -15.346 20.489 184 HG3 MET 24 1HG MET 24 3.662 -15.301 19.186 185 HE1 MET 24 3HE MET 24 0.712 -14.297 18.751 186 HE2 MET 24 1HE MET 24 0.294 -15.054 17.214 187 HE3 MET 24 2HE MET 24 1.897 -14.356 17.445 188 H LYS 25 H LYS 25 6.330 -18.337 20.180 189 HA LYS 25 HA LYS 25 6.037 -20.567 21.888 190 HB2 LYS 25 2HB LYS 25 6.729 -20.670 19.499 191 HB3 LYS 25 1HB LYS 25 8.289 -19.994 19.947 192 HG2 LYS 25 2HG LYS 25 8.733 -21.955 21.354 193 HG3 LYS 25 1HG LYS 25 7.165 -22.628 20.902 194 HD2 LYS 25 2HD LYS 25 7.878 -22.693 18.549 195 HD3 LYS 25 1HD LYS 25 9.448 -22.027 19.009 196 HE2 LYS 25 2HE LYS 25 9.804 -24.016 20.460 197 HE3 LYS 25 1HE LYS 25 8.290 -24.686 19.856 198 HZ1 LYS 25 3HZ LYS 25 10.626 -23.988 18.161 199 HZ2 LYS 25 1HZ LYS 25 9.201 -24.745 17.648 200 HZ3 LYS 25 2HZ LYS 25 10.260 -25.546 18.700 201 H VAL 26 H VAL 26 8.421 -17.960 21.814 202 HA VAL 26 HA VAL 26 10.251 -19.097 23.656 203 HB VAL 26 HB VAL 26 9.746 -16.202 22.930 204 HG11 VAL 26 1HG1 VAL 26 10.776 -16.297 25.137 205 HG12 VAL 26 2HG1 VAL 26 11.946 -15.734 23.943 206 HG13 VAL 26 3HG1 VAL 26 12.019 -17.394 24.533 207 HG21 VAL 26 3HG2 VAL 26 11.770 -16.444 21.575 208 HG22 VAL 26 1HG2 VAL 26 10.543 -17.610 21.085 209 HG23 VAL 26 2HG2 VAL 26 11.911 -18.133 22.067 210 H MET 27 H MET 27 7.701 -16.609 24.179 211 HA MET 27 HA MET 27 8.044 -16.578 26.993 212 HB2 MET 27 2HB MET 27 5.983 -15.323 27.116 213 HB3 MET 27 1HB MET 27 6.940 -14.746 25.764 214 HG2 MET 27 2HG MET 27 5.516 -16.012 24.221 215 HG3 MET 27 1HG MET 27 4.549 -16.569 25.589 216 HE1 MET 27 3HE MET 27 2.098 -14.009 23.921 217 HE2 MET 27 1HE MET 27 2.324 -15.669 24.472 218 HE3 MET 27 2HE MET 27 3.212 -15.076 23.068 219 H LEU 28 H LEU 28 6.162 -18.620 24.883 220 HA LEU 28 HA LEU 28 4.494 -19.921 26.707 221 HG LEU 28 HG LEU 28 5.014 -22.881 25.563 222 HB2 LEU 28 2HB LEU 28 4.340 -20.219 24.293 223 HB3 LEU 28 1HB LEU 28 5.916 -20.985 24.260 224 HD11 LEU 28 1HD1 LEU 28 2.579 -23.098 25.850 225 HD12 LEU 28 2HD1 LEU 28 2.373 -21.444 25.274 226 HD13 LEU 28 3HD1 LEU 28 3.244 -21.753 26.776 227 HD21 LEU 28 3HD2 LEU 28 3.483 -22.238 23.039 228 HD22 LEU 28 1HD2 LEU 28 3.646 -23.837 23.766 229 HD23 LEU 28 2HD2 LEU 28 5.068 -23.008 23.134 230 H ASN 29 H ASN 29 7.777 -20.859 25.660 231 HA ASN 29 HA ASN 29 8.012 -23.032 27.473 232 HB2 ASN 29 2HB ASN 29 9.966 -21.540 25.743 233 HB3 ASN 29 1HB ASN 29 10.532 -22.751 26.888 234 HD21 ASN 29 1HD2 ASN 29 8.589 -22.221 24.026 235 HD22 ASN 29 2HD2 ASN 29 8.551 -23.873 23.530 236 H ARG 30 H ARG 30 8.201 -19.699 28.054 237 HA ARG 30 HA ARG 30 10.079 -19.698 30.197 238 HE ARG 30 HE ARG 30 9.957 -15.952 33.182 239 HB2 ARG 30 2HB ARG 30 9.208 -17.664 28.963 240 HB3 ARG 30 1HB ARG 30 7.706 -17.837 29.854 241 HG2 ARG 30 2HG ARG 30 10.338 -17.540 31.274 242 HG3 ARG 30 1HG ARG 30 9.454 -16.139 30.680 243 HD2 ARG 30 2HD ARG 30 7.531 -16.743 32.063 244 HD3 ARG 30 1HD ARG 30 8.367 -18.191 32.621 245 HH11 ARG 30 1HH1 ARG 30 6.990 -17.376 34.230 246 HH12 ARG 30 2HH1 ARG 30 7.124 -16.721 35.824 247 HH21 ARG 30 1HH2 ARG 30 10.105 -15.149 35.231 248 HH22 ARG 30 2HH2 ARG 30 8.858 -15.487 36.382 249 H TYR 31 H TYR 31 6.637 -20.355 29.957 250 HA TYR 31 HA TYR 31 6.399 -20.816 32.844 251 HD1 TYR 31 HD2 TYR 31 4.896 -18.959 29.528 252 HD2 TYR 31 HD1 TYR 31 3.947 -19.006 33.680 253 HE1 TYR 31 HE2 TYR 31 4.591 -16.522 29.479 254 HE2 TYR 31 HE1 TYR 31 3.637 -16.567 33.636 255 HH TYR 31 HH TYR 31 3.674 -14.756 30.644 256 HB2 TYR 31 2HB TYR 31 4.292 -21.053 30.676 257 HB3 TYR 31 1HB TYR 31 4.009 -21.073 32.413 258 H ARG 32 H ARG 32 5.273 -22.866 33.542 259 HA ARG 32 HA ARG 32 6.188 -25.166 31.936 260 HE ARG 32 HE ARG 32 9.735 -23.895 34.502 261 HB2 ARG 32 2HB ARG 32 5.376 -25.018 34.859 262 HB3 ARG 32 1HB ARG 32 5.859 -26.489 34.028 263 HG2 ARG 32 2HG ARG 32 7.760 -25.807 35.213 264 HG3 ARG 32 1HG ARG 32 8.070 -25.318 33.548 265 HD2 ARG 32 2HD ARG 32 7.234 -23.025 34.168 266 HD3 ARG 32 1HD ARG 32 7.192 -23.566 35.845 267 HH11 ARG 32 1HH1 ARG 32 7.800 -21.907 36.548 268 HH12 ARG 32 2HH1 ARG 32 9.151 -20.980 37.101 269 HH21 ARG 32 1HH2 ARG 32 11.446 -22.695 35.193 270 HH22 ARG 32 2HH2 ARG 32 11.197 -21.409 36.326 271 HA PRO 33 HA PRO 33 2.117 -26.350 30.737 272 HB2 PRO 33 2HB PRO 33 2.591 -29.121 31.694 273 HB3 PRO 33 1HB PRO 33 2.217 -28.535 30.070 274 HG2 PRO 33 2HG PRO 33 4.672 -29.366 30.665 275 HG3 PRO 33 1HG PRO 33 4.430 -27.940 29.634 276 HD2 PRO 33 2HD PRO 33 5.122 -28.065 32.559 277 HD3 PRO 33 1HD PRO 33 5.820 -27.041 31.283 278 H GLY 34 H GLY 34 2.547 -25.787 33.818 279 HA2 GLY 34 2HA GLY 34 -0.235 -26.517 34.453 280 HA3 GLY 34 1HA GLY 34 1.031 -26.800 35.638 281 H ASP 35 H ASP 35 1.595 -24.008 33.772 282 HA ASP 35 HA ASP 35 0.757 -22.324 36.044 283 HB2 ASP 35 2HB ASP 35 2.870 -21.859 33.932 284 HB3 ASP 35 1HB ASP 35 2.402 -20.664 35.137 285 H ILE 36 H ILE 36 0.022 -20.151 35.603 286 HA ILE 36 HA ILE 36 -1.666 -19.971 33.211 287 HB ILE 36 HB ILE 36 -1.644 -18.248 35.706 288 HG12 ILE 36 2HG1 ILE 36 -2.384 -20.530 36.192 289 HG13 ILE 36 1HG1 ILE 36 -3.745 -19.420 36.278 290 HG21 ILE 36 1HG2 ILE 36 -2.468 -17.001 33.795 291 HG22 ILE 36 2HG2 ILE 36 -3.801 -17.382 34.884 292 HG23 ILE 36 3HG2 ILE 36 -3.590 -18.302 33.394 293 HD11 ILE 36 3HD1 ILE 36 -4.375 -21.487 35.197 294 HD12 ILE 36 1HD1 ILE 36 -3.107 -21.270 33.991 295 HD13 ILE 36 2HD1 ILE 36 -4.464 -20.145 34.056 296 H VAL 37 H VAL 37 -1.474 -18.323 31.722 297 HA VAL 37 HA VAL 37 1.084 -17.085 31.426 298 HB VAL 37 HB VAL 37 -1.471 -16.578 29.879 299 HG11 VAL 37 1HG1 VAL 37 0.001 -15.771 28.093 300 HG12 VAL 37 2HG1 VAL 37 1.401 -15.994 29.144 301 HG13 VAL 37 3HG1 VAL 37 0.169 -14.800 29.555 302 HG21 VAL 37 3HG2 VAL 37 -0.856 -18.930 29.799 303 HG22 VAL 37 1HG2 VAL 37 0.793 -18.506 29.331 304 HG23 VAL 37 2HG2 VAL 37 -0.550 -18.170 28.237 305 H SER 38 H SER 38 1.699 -14.958 31.721 306 HA SER 38 HA SER 38 0.411 -13.416 33.691 307 HG SER 38 HG SER 38 2.933 -10.919 33.245 308 HB2 SER 38 2HB SER 38 2.830 -13.254 33.244 309 HB3 SER 38 1HB SER 38 2.492 -12.505 31.683 310 H THR 39 H THR 39 -0.180 -11.061 33.403 311 HA THR 39 HA THR 39 -2.515 -10.888 31.864 312 HB THR 39 HB THR 39 -0.938 -8.558 32.987 313 HG1 THR 39 HG1 THR 39 -1.903 -8.963 34.897 314 HG21 THR 39 3HG2 THR 39 -3.886 -8.836 32.360 315 HG22 THR 39 1HG2 THR 39 -2.723 -7.880 31.440 316 HG23 THR 39 2HG2 THR 39 -3.116 -7.433 33.100 317 H VAL 40 H VAL 40 0.612 -9.215 31.328 318 HA VAL 40 HA VAL 40 -0.138 -7.907 28.950 319 HB VAL 40 HB VAL 40 2.652 -8.773 29.752 320 HG11 VAL 40 1HG1 VAL 40 1.723 -6.594 27.873 321 HG12 VAL 40 2HG1 VAL 40 2.554 -8.084 27.423 322 HG13 VAL 40 3HG1 VAL 40 3.391 -6.861 28.379 323 HG21 VAL 40 3HG2 VAL 40 2.856 -6.539 30.763 324 HG22 VAL 40 1HG2 VAL 40 1.600 -7.502 31.542 325 HG23 VAL 40 2HG2 VAL 40 1.156 -6.229 30.404 326 H ASP 41 H ASP 41 1.815 -10.869 29.353 327 HA ASP 41 HA ASP 41 2.102 -11.629 26.712 328 HB2 ASP 41 2HB ASP 41 1.674 -13.439 29.106 329 HB3 ASP 41 1HB ASP 41 2.409 -13.913 27.578 330 H GLY 42 H GLY 42 -0.564 -12.434 28.942 331 HA2 GLY 42 2HA GLY 42 -2.095 -13.968 27.132 332 HA3 GLY 42 1HA GLY 42 -2.710 -13.160 28.565 333 H ALA 43 H ALA 43 -2.177 -10.490 27.883 334 HA ALA 43 HA ALA 43 -4.378 -9.768 26.315 335 HB1 ALA 43 3HB ALA 43 -1.899 -8.140 26.896 336 HB2 ALA 43 1HB ALA 43 -3.329 -8.250 27.923 337 HB3 ALA 43 2HB ALA 43 -3.443 -7.503 26.329 338 H PHE 44 H PHE 44 -0.969 -10.129 25.435 339 HA PHE 44 HA PHE 44 -1.116 -9.343 22.743 340 HD1 PHE 44 HD2 PHE 44 1.592 -8.759 21.710 341 HD2 PHE 44 HD1 PHE 44 0.974 -12.943 22.222 342 HE1 PHE 44 HE2 PHE 44 2.714 -9.183 19.565 343 HE2 PHE 44 HE1 PHE 44 2.091 -13.371 20.074 344 HZ PHE 44 HZ PHE 44 2.962 -11.493 18.740 345 HB2 PHE 44 2HB PHE 44 1.013 -9.711 23.896 346 HB3 PHE 44 1HB PHE 44 0.654 -11.425 24.061 347 H LEU 45 H LEU 45 -1.560 -12.539 24.236 348 HA LEU 45 HA LEU 45 -2.048 -14.007 21.893 349 HG LEU 45 HG LEU 45 -0.532 -14.534 24.428 350 HB2 LEU 45 2HB LEU 45 -3.030 -14.456 24.713 351 HB3 LEU 45 1HB LEU 45 -3.162 -15.638 23.423 352 HD11 LEU 45 1HD1 LEU 45 -1.869 -17.152 25.107 353 HD12 LEU 45 2HD1 LEU 45 -1.663 -15.782 26.199 354 HD13 LEU 45 3HD1 LEU 45 -0.250 -16.649 25.599 355 HD21 LEU 45 3HD2 LEU 45 -1.180 -16.887 22.646 356 HD22 LEU 45 1HD2 LEU 45 0.428 -16.436 23.216 357 HD23 LEU 45 2HD2 LEU 45 -0.455 -15.362 22.134 358 H VAL 46 H VAL 46 -4.317 -12.292 24.043 359 HA VAL 46 HA VAL 46 -6.720 -13.071 22.844 360 HB VAL 46 HB VAL 46 -6.095 -10.372 24.074 361 HG11 VAL 46 1HG1 VAL 46 -8.746 -11.731 23.566 362 HG12 VAL 46 2HG1 VAL 46 -8.130 -10.293 22.751 363 HG13 VAL 46 3HG1 VAL 46 -8.526 -10.230 24.468 364 HG21 VAL 46 3HG2 VAL 46 -7.059 -11.300 26.133 365 HG22 VAL 46 1HG2 VAL 46 -5.626 -12.194 25.628 366 HG23 VAL 46 2HG2 VAL 46 -7.231 -12.868 25.345 367 H GLU 47 H GLU 47 -4.733 -10.177 22.138 368 HA GLU 47 HA GLU 47 -6.327 -9.281 19.975 369 HB2 GLU 47 2HB GLU 47 -3.402 -8.719 20.518 370 HB3 GLU 47 1HB GLU 47 -4.440 -7.801 19.434 371 HG2 GLU 47 2HG GLU 47 -4.682 -8.017 22.433 372 HG3 GLU 47 1HG GLU 47 -4.179 -6.605 21.508 373 H ALA 48 H ALA 48 -3.535 -11.443 20.139 374 HA ALA 48 HA ALA 48 -3.059 -11.761 17.384 375 HB1 ALA 48 3HB ALA 48 -1.976 -13.875 17.992 376 HB2 ALA 48 1HB ALA 48 -2.699 -13.788 19.601 377 HB3 ALA 48 2HB ALA 48 -1.517 -12.580 19.097 378 H LEU 49 H LEU 49 -5.250 -13.484 19.578 379 HA LEU 49 HA LEU 49 -6.367 -15.261 17.697 380 HG LEU 49 HG LEU 49 -9.356 -15.034 18.805 381 HB2 LEU 49 2HB LEU 49 -6.666 -15.547 20.098 382 HB3 LEU 49 1HB LEU 49 -7.557 -14.041 20.196 383 HD11 LEU 49 1HD1 LEU 49 -7.765 -17.583 19.071 384 HD12 LEU 49 2HD1 LEU 49 -8.050 -16.679 17.583 385 HD13 LEU 49 3HD1 LEU 49 -9.400 -17.443 18.419 386 HD21 LEU 49 3HD2 LEU 49 -10.254 -16.509 20.539 387 HD22 LEU 49 1HD2 LEU 49 -9.531 -15.057 21.231 388 HD23 LEU 49 2HD2 LEU 49 -8.663 -16.592 21.296 389 H LYS 50 H LYS 50 -7.307 -11.988 18.701 390 HA LYS 50 HA LYS 50 -9.664 -11.740 17.200 391 HB2 LYS 50 2HB LYS 50 -7.710 -9.640 18.146 392 HB3 LYS 50 1HB LYS 50 -9.267 -9.265 17.420 393 HG2 LYS 50 2HG LYS 50 -10.411 -10.442 19.229 394 HG3 LYS 50 1HG LYS 50 -8.853 -10.849 19.954 395 HD2 LYS 50 2HD LYS 50 -8.370 -8.490 20.311 396 HD3 LYS 50 1HD LYS 50 -9.868 -8.035 19.499 397 HE2 LYS 50 2HE LYS 50 -11.171 -9.110 21.246 398 HE3 LYS 50 1HE LYS 50 -9.697 -9.664 22.035 399 HZ1 LYS 50 3HZ LYS 50 -10.502 -7.718 23.139 400 HZ2 LYS 50 1HZ LYS 50 -10.566 -6.852 21.687 401 HZ3 LYS 50 2HZ LYS 50 -9.071 -7.315 22.326 402 H ARG 51 H ARG 51 -6.454 -11.899 16.061 403 HA ARG 51 HA ARG 51 -6.854 -10.369 13.657 404 HE ARG 51 HE ARG 51 -3.960 -8.976 12.788 405 HB2 ARG 51 2HB ARG 51 -4.757 -12.483 14.208 406 HB3 ARG 51 1HB ARG 51 -4.714 -11.278 12.929 407 HG2 ARG 51 2HG ARG 51 -4.447 -10.831 15.895 408 HG3 ARG 51 1HG ARG 51 -3.231 -10.563 14.647 409 HD2 ARG 51 2HD ARG 51 -5.792 -9.013 15.049 410 HD3 ARG 51 1HD ARG 51 -4.152 -8.445 15.362 411 HH11 ARG 51 1HH1 ARG 51 -6.542 -7.429 14.473 412 HH12 ARG 51 2HH1 ARG 51 -7.006 -6.474 13.111 413 HH21 ARG 51 1HH2 ARG 51 -4.567 -7.745 11.052 414 HH22 ARG 51 2HH2 ARG 51 -5.891 -6.643 11.197 415 H HIS 52 H HIS 52 -8.210 -13.177 14.660 416 HA HIS 52 HA HIS 52 -8.581 -14.183 11.902 417 HD1 HIS 52 HD1 HIS 52 -7.336 -17.280 11.632 418 HD2 HIS 52 HD2 HIS 52 -6.125 -15.281 15.070 419 HE1 HIS 52 HE1 HIS 52 -4.905 -17.826 11.907 420 HE2 HIS 52 HE2 HIS 52 -4.266 -16.798 14.107 421 HB2 HIS 52 2HB HIS 52 -8.908 -15.651 14.537 422 HB3 HIS 52 1HB HIS 52 -9.266 -16.333 12.956 423 HA PRO 53 HA PRO 53 -12.790 -12.643 12.313 424 HB2 PRO 53 2HB PRO 53 -13.952 -14.212 10.366 425 HB3 PRO 53 1HB PRO 53 -13.046 -12.732 10.040 426 HG2 PRO 53 2HG PRO 53 -12.132 -15.583 9.891 427 HG3 PRO 53 1HG PRO 53 -11.811 -14.244 8.771 428 HD2 PRO 53 2HD PRO 53 -9.974 -15.050 10.560 429 HD3 PRO 53 1HD PRO 53 -10.162 -13.335 10.136 430 H ASP 54 H ASP 54 -11.807 -15.890 12.811 431 HA ASP 54 HA ASP 54 -14.377 -16.858 13.742 432 HB2 ASP 54 2HB ASP 54 -11.638 -18.141 13.927 433 HB3 ASP 54 1HB ASP 54 -13.189 -18.940 14.171 434 H ALA 55 H ALA 55 -12.119 -14.846 15.073 435 HA ALA 55 HA ALA 55 -11.489 -15.849 17.586 436 HB1 ALA 55 3HB ALA 55 -10.492 -13.827 16.610 437 HB2 ALA 55 1HB ALA 55 -11.068 -13.557 18.255 438 HB3 ALA 55 2HB ALA 55 -12.004 -12.962 16.882 439 H THR 56 H THR 56 -14.266 -13.799 16.703 440 HA THR 56 HA THR 56 -15.493 -13.429 19.126 441 HB THR 56 HB THR 56 -16.397 -12.375 17.176 442 HG1 THR 56 HG1 THR 56 -18.697 -13.641 17.425 443 HG21 THR 56 3HG2 THR 56 -15.917 -14.120 15.525 444 HG22 THR 56 1HG2 THR 56 -17.601 -13.609 15.425 445 HG23 THR 56 2HG2 THR 56 -17.189 -15.132 16.211 446 H SER 57 H SER 57 -15.545 -16.385 17.194 447 HA SER 57 HA SER 57 -17.580 -17.744 18.635 448 HG SER 57 HG SER 57 -16.349 -18.734 15.321 449 HB2 SER 57 2HB SER 57 -15.251 -18.993 17.143 450 HB3 SER 57 1HB SER 57 -16.794 -19.757 17.522 451 H LYS 58 H LYS 58 -14.046 -17.679 18.957 452 HA LYS 58 HA LYS 58 -14.058 -19.611 21.115 453 HB2 LYS 58 2HB LYS 58 -11.821 -17.987 19.882 454 HB3 LYS 58 1HB LYS 58 -11.587 -19.191 21.143 455 HG2 LYS 58 2HG LYS 58 -12.570 -20.898 19.607 456 HG3 LYS 58 1HG LYS 58 -12.604 -19.669 18.341 457 HD2 LYS 58 2HD LYS 58 -10.199 -19.462 18.406 458 HD3 LYS 58 1HD LYS 58 -10.102 -20.540 19.801 459 HE2 LYS 58 2HE LYS 58 -11.104 -21.321 17.056 460 HE3 LYS 58 1HE LYS 58 -9.495 -21.667 17.687 461 HZ1 LYS 58 3HZ LYS 58 -11.027 -23.558 17.887 462 HZ2 LYS 58 1HZ LYS 58 -12.031 -22.644 18.896 463 HZ3 LYS 58 2HZ LYS 58 -10.463 -23.042 19.395 464 H ILE 59 H ILE 59 -14.005 -16.140 20.824 465 HA ILE 59 HA ILE 59 -13.169 -15.692 23.562 466 HB ILE 59 HB ILE 59 -14.278 -13.754 21.513 467 HG12 ILE 59 2HG1 ILE 59 -11.423 -14.276 22.407 468 HG13 ILE 59 1HG1 ILE 59 -12.116 -14.771 20.868 469 HG21 ILE 59 1HG2 ILE 59 -13.398 -11.986 22.981 470 HG22 ILE 59 2HG2 ILE 59 -12.949 -13.204 24.175 471 HG23 ILE 59 3HG2 ILE 59 -14.648 -12.938 23.782 472 HD11 ILE 59 3HD1 ILE 59 -10.743 -12.800 20.606 473 HD12 ILE 59 1HD1 ILE 59 -11.713 -11.937 21.800 474 HD13 ILE 59 2HD1 ILE 59 -12.431 -12.422 20.263 475 H GLY 60 H GLY 60 -16.204 -15.324 21.712 476 HA2 GLY 60 2HA GLY 60 -18.398 -15.250 22.373 477 HA3 GLY 60 1HA GLY 60 -17.899 -16.217 23.748 478 HA PRO 61 HA PRO 61 -19.139 -12.550 26.060 479 HB2 PRO 61 2HB PRO 61 -18.632 -13.507 28.543 480 HB3 PRO 61 1HB PRO 61 -20.041 -14.013 27.602 481 HG2 PRO 61 2HG PRO 61 -17.414 -15.413 27.978 482 HG3 PRO 61 1HG PRO 61 -19.056 -16.084 28.027 483 HD2 PRO 61 2HD PRO 61 -17.449 -16.285 25.842 484 HD3 PRO 61 1HD PRO 61 -19.218 -16.190 25.729 485 H GLY 62 H GLY 62 -16.010 -14.148 26.294 486 HA2 GLY 62 2HA GLY 62 -14.305 -12.107 26.093 487 HA3 GLY 62 1HA GLY 62 -14.820 -11.918 27.761 488 H VAL 63 H VAL 63 -12.173 -12.325 27.155 489 HA VAL 63 HA VAL 63 -11.623 -15.158 27.731 490 HB VAL 63 HB VAL 63 -9.687 -12.945 26.995 491 HG11 VAL 63 1HG1 VAL 63 -8.625 -14.697 28.321 492 HG12 VAL 63 2HG1 VAL 63 -8.069 -14.764 26.649 493 HG13 VAL 63 3HG1 VAL 63 -9.258 -15.930 27.230 494 HG21 VAL 63 3HG2 VAL 63 -11.203 -13.470 25.148 495 HG22 VAL 63 1HG2 VAL 63 -10.804 -15.183 25.293 496 HG23 VAL 63 2HG2 VAL 63 -9.567 -14.027 24.798 497 H ARG 64 H ARG 64 -11.408 -15.711 29.798 498 HA ARG 64 HA ARG 64 -10.982 -13.880 31.937 499 HE ARG 64 HE ARG 64 -10.509 -15.634 36.286 500 HB2 ARG 64 2HB ARG 64 -12.179 -16.011 32.224 501 HB3 ARG 64 1HB ARG 64 -10.711 -16.899 31.852 502 HG2 ARG 64 2HG ARG 64 -11.091 -16.924 34.226 503 HG3 ARG 64 1HG ARG 64 -9.655 -15.960 33.874 504 HD2 ARG 64 2HD ARG 64 -10.931 -13.910 34.142 505 HD3 ARG 64 1HD ARG 64 -12.415 -14.836 34.383 506 HH11 ARG 64 1HH1 ARG 64 -12.403 -12.865 35.505 507 HH12 ARG 64 2HH1 ARG 64 -12.578 -12.388 37.159 508 HH21 ARG 64 1HH2 ARG 64 -10.712 -14.989 38.397 509 HH22 ARG 64 2HH2 ARG 64 -11.631 -13.576 38.774 510 H ASN 65 H ASN 65 -8.906 -16.423 30.554 511 HA ASN 65 HA ASN 65 -6.564 -14.867 30.486 512 HB2 ASN 65 2HB ASN 65 -5.257 -16.087 32.265 513 HB3 ASN 65 1HB ASN 65 -6.495 -14.998 32.884 514 HD21 ASN 65 1HD2 ASN 65 -6.722 -16.037 34.824 515 HD22 ASN 65 2HD2 ASN 65 -7.424 -17.607 34.977 516 H PHE 66 H PHE 66 -4.550 -16.641 30.512 517 HA PHE 66 HA PHE 66 -5.439 -18.865 28.778 518 HD1 PHE 66 HD1 PHE 66 -4.577 -15.244 28.109 519 HD2 PHE 66 HD2 PHE 66 -4.443 -18.729 25.662 520 HE1 PHE 66 HE1 PHE 66 -5.761 -14.036 26.328 521 HE2 PHE 66 HE2 PHE 66 -5.628 -17.521 23.877 522 HZ PHE 66 HZ PHE 66 -6.289 -15.172 24.207 523 HB2 PHE 66 2HB PHE 66 -2.968 -17.136 28.523 524 HB3 PHE 66 1HB PHE 66 -3.185 -18.648 27.648 525 H GLU 67 H GLU 67 -4.603 -20.864 29.160 526 HA GLU 67 HA GLU 67 -2.682 -21.116 31.393 527 HB2 GLU 67 2HB GLU 67 -4.864 -22.125 31.873 528 HB3 GLU 67 1HB GLU 67 -4.756 -23.096 30.410 529 HG2 GLU 67 2HG GLU 67 -2.829 -24.283 31.321 530 HG3 GLU 67 1HG GLU 67 -2.894 -23.290 32.777 531 H VAL 68 H VAL 68 -0.798 -22.182 31.082 532 HA VAL 68 HA VAL 68 -0.134 -23.111 28.398 533 HB VAL 68 HB VAL 68 1.572 -22.983 30.902 534 HG11 VAL 68 1HG1 VAL 68 3.483 -23.293 29.386 535 HG12 VAL 68 2HG1 VAL 68 2.369 -23.504 28.034 536 HG13 VAL 68 3HG1 VAL 68 2.389 -24.676 29.351 537 HG21 VAL 68 3HG2 VAL 68 2.611 -21.016 29.847 538 HG22 VAL 68 1HG2 VAL 68 0.894 -20.762 30.157 539 HG23 VAL 68 2HG2 VAL 68 1.451 -21.120 28.522 540 H ARG 69 H ARG 69 -0.769 -25.128 27.889 541 HA ARG 69 HA ARG 69 -0.416 -27.277 29.894 542 HE ARG 69 HE ARG 69 -4.532 -27.234 30.610 543 HB2 ARG 69 2HB ARG 69 -2.809 -26.521 29.625 544 HB3 ARG 69 1HB ARG 69 -2.731 -27.063 27.955 545 HG2 ARG 69 2HG ARG 69 -2.252 -29.360 28.770 546 HG3 ARG 69 1HG ARG 69 -2.461 -28.776 30.423 547 HD2 ARG 69 2HD ARG 69 -4.540 -28.807 28.230 548 HD3 ARG 69 1HD ARG 69 -4.511 -29.818 29.675 549 HH11 ARG 69 1HH1 ARG 69 -6.590 -29.127 28.591 550 HH12 ARG 69 2HH1 ARG 69 -8.012 -28.250 29.040 551 HH21 ARG 69 1HH2 ARG 69 -6.356 -26.120 31.167 552 HH22 ARG 69 2HH2 ARG 69 -7.887 -26.583 30.495 553 H SER 70 H SER 70 0.108 -29.357 29.057 554 HA SER 70 HA SER 70 1.576 -29.330 26.584 555 HG SER 70 HG SER 70 1.195 -32.242 29.361 556 HB2 SER 70 2HB SER 70 2.018 -31.721 27.075 557 HB3 SER 70 1HB SER 70 2.371 -30.685 28.456 558 H ALA 71 H ALA 71 1.094 -30.393 24.636 559 HA ALA 71 HA ALA 71 -1.666 -31.407 24.367 560 HB1 ALA 71 3HB ALA 71 -0.396 -29.429 22.474 561 HB2 ALA 71 1HB ALA 71 -1.612 -29.041 23.690 562 HB3 ALA 71 2HB ALA 71 -2.018 -30.112 22.349 563 H ASP 72 H ASP 72 1.102 -30.839 22.162 564 HA ASP 72 HA ASP 72 1.260 -33.693 21.564 565 HB2 ASP 72 2HB ASP 72 -0.483 -32.627 20.041 566 HB3 ASP 72 1HB ASP 72 0.828 -31.693 19.330 567 H TYR 73 H TYR 73 3.125 -34.080 19.915 568 HA TYR 73 HA TYR 73 5.372 -34.004 19.515 569 HD1 TYR 73 HD1 TYR 73 6.464 -32.995 17.118 570 HD2 TYR 73 HD2 TYR 73 3.199 -30.564 18.373 571 HE1 TYR 73 HE1 TYR 73 5.685 -32.846 14.794 572 HE2 TYR 73 HE2 TYR 73 2.412 -30.421 16.048 573 HH TYR 73 HH TYR 73 3.537 -32.429 13.595 574 HB2 TYR 73 2HB TYR 73 4.975 -31.021 19.880 575 HB3 TYR 73 1HB TYR 73 6.469 -31.754 19.319 576 H GLY 74 H GLY 74 4.146 -33.719 22.443 577 HA2 GLY 74 2HA GLY 74 4.951 -33.601 24.600 578 HA3 GLY 74 1HA GLY 74 6.572 -33.738 23.931 579 H THR 75 H THR 75 4.607 -31.185 22.737 580 HA THR 75 HA THR 75 6.250 -29.206 24.179 581 HB THR 75 HB THR 75 5.701 -27.621 22.378 582 HG1 THR 75 HG1 THR 75 4.429 -29.801 21.045 583 HG21 THR 75 3HG2 THR 75 7.711 -28.970 22.129 584 HG22 THR 75 1HG2 THR 75 6.961 -28.711 20.554 585 HG23 THR 75 2HG2 THR 75 6.780 -30.263 21.372 586 H GLN 76 H GLN 76 5.011 -26.958 24.152 587 HA GLN 76 HA GLN 76 2.638 -27.420 25.814 588 HB2 GLN 76 2HB GLN 76 4.287 -24.906 25.460 589 HB3 GLN 76 1HB GLN 76 3.072 -25.198 26.697 590 HG2 GLN 76 2HG GLN 76 4.436 -26.692 27.862 591 HG3 GLN 76 1HG GLN 76 5.496 -26.952 26.477 592 HE21 GLN 76 1HE2 GLN 76 4.726 -24.850 29.125 593 HE22 GLN 76 2HE2 GLN 76 6.139 -23.868 29.016 594 H CYS 77 H CYS 77 0.819 -25.897 25.658 595 HA CYS 77 HA CYS 77 0.537 -24.371 23.184 596 HG CYS 77 HG CYS 77 1.120 -26.585 21.872 597 HB2 CYS 77 2HB CYS 77 -1.341 -26.615 23.963 598 HB3 CYS 77 1HB CYS 77 -1.750 -25.375 22.783 599 H PHE 78 H PHE 78 -1.042 -22.729 23.284 600 HA PHE 78 HA PHE 78 -1.704 -21.856 25.973 601 HD1 PHE 78 HD2 PHE 78 -0.631 -19.583 26.569 602 HD2 PHE 78 HD1 PHE 78 0.017 -20.136 22.389 603 HE1 PHE 78 HE2 PHE 78 1.630 -18.637 26.795 604 HE2 PHE 78 HE1 PHE 78 2.279 -19.190 22.617 605 HZ PHE 78 HZ PHE 78 3.086 -18.437 24.820 606 HB2 PHE 78 2HB PHE 78 -2.102 -20.541 23.277 607 HB3 PHE 78 1HB PHE 78 -2.547 -19.801 24.808 608 H TRP 79 H TRP 79 -3.576 -22.274 26.946 609 HA TRP 79 HA TRP 79 -5.949 -22.916 25.323 610 HD1 TRP 79 HD1 TRP 79 -3.275 -25.048 26.855 611 HE1 TRP 79 HE1 TRP 79 -3.469 -27.442 25.929 612 HE3 TRP 79 HE3 TRP 79 -8.367 -25.400 26.575 613 HZ2 TRP 79 HZ2 TRP 79 -5.512 -29.242 25.174 614 HZ3 TRP 79 HZ3 TRP 79 -9.361 -27.486 25.734 615 HH2 TRP 79 HH2 TRP 79 -7.964 -29.368 25.047 616 HB2 TRP 79 2HB TRP 79 -5.231 -23.533 28.190 617 HB3 TRP 79 1HB TRP 79 -6.863 -23.744 27.564 618 H ILE 80 H ILE 80 -7.616 -21.590 25.223 619 HA ILE 80 HA ILE 80 -7.555 -19.028 26.584 620 HB ILE 80 HB ILE 80 -9.667 -20.072 24.681 621 HG12 ILE 80 2HG1 ILE 80 -7.199 -18.464 23.963 622 HG13 ILE 80 1HG1 ILE 80 -7.360 -20.197 23.696 623 HG21 ILE 80 1HG2 ILE 80 -10.089 -17.690 24.247 624 HG22 ILE 80 2HG2 ILE 80 -8.854 -17.258 25.430 625 HG23 ILE 80 3HG2 ILE 80 -10.318 -18.092 25.950 626 HD11 ILE 80 3HD1 ILE 80 -7.783 -18.923 21.668 627 HD12 ILE 80 1HD1 ILE 80 -9.095 -18.064 22.473 628 HD13 ILE 80 2HD1 ILE 80 -9.223 -19.799 22.185 629 H LEU 81 H LEU 81 -8.234 -19.213 28.729 630 HA LEU 81 HA LEU 81 -10.599 -20.744 29.399 631 HG LEU 81 HG LEU 81 -8.438 -20.925 32.408 632 HB2 LEU 81 2HB LEU 81 -8.854 -18.890 31.024 633 HB3 LEU 81 1HB LEU 81 -10.307 -19.626 31.669 634 HD11 LEU 81 1HD1 LEU 81 -10.438 -22.179 31.789 635 HD12 LEU 81 2HD1 LEU 81 -8.967 -23.120 31.552 636 HD13 LEU 81 3HD1 LEU 81 -9.789 -22.407 30.163 637 HD21 LEU 81 3HD2 LEU 81 -6.851 -21.978 30.885 638 HD22 LEU 81 1HD2 LEU 81 -6.802 -20.223 30.733 639 HD23 LEU 81 2HD2 LEU 81 -7.628 -21.192 29.510 640 H ARG 82 H ARG 82 -12.544 -20.041 28.873 641 HA ARG 82 HA ARG 82 -13.040 -17.248 28.270 642 HE ARG 82 HE ARG 82 -16.576 -19.328 26.311 643 HB2 ARG 82 2HB ARG 82 -14.821 -19.693 28.138 644 HB3 ARG 82 1HB ARG 82 -15.277 -18.093 27.561 645 HG2 ARG 82 2HG ARG 82 -13.637 -18.154 25.840 646 HG3 ARG 82 1HG ARG 82 -12.885 -19.599 26.520 647 HD2 ARG 82 2HD ARG 82 -14.333 -20.001 24.506 648 HD3 ARG 82 1HD ARG 82 -14.753 -20.954 25.931 649 HH11 ARG 82 1HH1 ARG 82 -15.231 -19.620 23.155 650 HH12 ARG 82 2HH1 ARG 82 -16.648 -19.015 22.374 651 HH21 ARG 82 1HH2 ARG 82 -18.383 -18.577 25.333 652 HH22 ARG 82 2HH2 ARG 82 -18.438 -18.435 23.606 653 H THR 83 H THR 83 -14.662 -15.936 29.231 654 HA THR 83 HA THR 83 -14.797 -16.129 32.062 655 HB THR 83 HB THR 83 -16.260 -14.145 31.979 656 HG1 THR 83 HG1 THR 83 -17.378 -13.765 30.234 657 HG21 THR 83 3HG2 THR 83 -14.679 -12.617 30.878 658 HG22 THR 83 1HG2 THR 83 -13.904 -13.989 30.085 659 HG23 THR 83 2HG2 THR 83 -13.835 -13.831 31.840 660 H ASP 84 H ASP 84 -16.792 -17.530 29.653 661 HA ASP 84 HA ASP 84 -19.154 -17.705 31.292 662 HB2 ASP 84 2HB ASP 84 -19.880 -19.412 29.536 663 HB3 ASP 84 1HB ASP 84 -19.610 -17.763 28.986 664 H GLY 85 H GLY 85 -16.330 -19.725 30.725 665 HA2 GLY 85 2HA GLY 85 -15.861 -21.030 32.879 666 HA3 GLY 85 1HA GLY 85 -17.435 -21.746 32.586 667 H SER 86 H SER 86 -16.347 -21.402 29.572 668 HA SER 86 HA SER 86 -15.424 -24.174 29.449 669 HG SER 86 HG SER 86 -15.805 -23.841 25.851 670 HB2 SER 86 2HB SER 86 -17.173 -23.497 27.879 671 HB3 SER 86 1HB SER 86 -16.137 -22.220 27.241 672 H GLU 87 H GLU 87 -13.464 -24.847 28.524 673 HA GLU 87 HA GLU 87 -11.420 -22.744 28.209 674 HB2 GLU 87 2HB GLU 87 -9.791 -24.725 28.450 675 HB3 GLU 87 1HB GLU 87 -10.626 -24.153 29.886 676 HG2 GLU 87 2HG GLU 87 -11.995 -26.010 29.998 677 HG3 GLU 87 1HG GLU 87 -11.756 -26.420 28.300 678 H GLU 88 H GLU 88 -11.170 -22.188 26.198 679 HA GLU 88 HA GLU 88 -11.409 -24.091 23.987 680 HB2 GLU 88 2HB GLU 88 -12.620 -21.987 23.811 681 HB3 GLU 88 1HB GLU 88 -11.158 -21.073 24.130 682 HG2 GLU 88 2HG GLU 88 -11.696 -20.925 21.811 683 HG3 GLU 88 1HG GLU 88 -10.220 -21.865 22.000 684 H ARG 89 H ARG 89 -9.696 -23.836 22.192 685 HA ARG 89 HA ARG 89 -7.103 -22.817 23.078 686 HE ARG 89 HE ARG 89 -5.047 -26.298 21.396 687 HB2 ARG 89 2HB ARG 89 -5.906 -24.845 22.408 688 HB3 ARG 89 1HB ARG 89 -7.051 -25.195 23.696 689 HG2 ARG 89 2HG ARG 89 -8.587 -26.198 22.129 690 HG3 ARG 89 1HG ARG 89 -7.567 -25.721 20.768 691 HD2 ARG 89 2HD ARG 89 -6.795 -27.643 22.971 692 HD3 ARG 89 1HD ARG 89 -7.282 -28.092 21.336 693 HH11 ARG 89 1HH1 ARG 89 -5.997 -29.599 21.585 694 HH12 ARG 89 2HH1 ARG 89 -4.451 -30.186 21.082 695 HH21 ARG 89 1HH2 ARG 89 -3.061 -27.078 20.727 696 HH22 ARG 89 2HH2 ARG 89 -2.821 -28.782 20.590 697 H PHE 90 H PHE 90 -5.502 -22.728 21.259 698 HA PHE 90 HA PHE 90 -6.579 -22.965 18.569 699 HD1 PHE 90 HD1 PHE 90 -6.049 -20.402 21.633 700 HD2 PHE 90 HD2 PHE 90 -4.350 -19.241 17.902 701 HE1 PHE 90 HE1 PHE 90 -4.558 -18.833 22.801 702 HE2 PHE 90 HE2 PHE 90 -2.858 -17.672 19.067 703 HZ PHE 90 HZ PHE 90 -2.961 -17.464 21.517 704 HB2 PHE 90 2HB PHE 90 -6.157 -20.680 17.906 705 HB3 PHE 90 1HB PHE 90 -7.240 -20.675 19.290 706 H SER 91 H SER 91 -5.028 -23.310 17.013 707 HA SER 91 HA SER 91 -2.339 -23.859 17.956 708 HG SER 91 HG SER 91 -3.116 -26.188 17.140 709 HB2 SER 91 2HB SER 91 -3.490 -24.183 15.167 710 HB3 SER 91 1HB SER 91 -1.968 -24.851 15.752 711 H TYR 92 H TYR 92 -1.623 -21.707 18.409 712 HA TYR 92 HA TYR 92 -1.707 -19.500 16.754 713 HD1 TYR 92 HD1 TYR 92 -0.264 -21.795 19.878 714 HD2 TYR 92 HD2 TYR 92 2.442 -19.187 17.868 715 HE1 TYR 92 HE1 TYR 92 1.630 -23.135 20.692 716 HE2 TYR 92 HE2 TYR 92 4.338 -20.521 18.676 717 HH TYR 92 HH TYR 92 4.834 -22.075 20.547 718 HB2 TYR 92 2HB TYR 92 0.152 -18.594 18.034 719 HB3 TYR 92 1HB TYR 92 -0.931 -19.468 19.110 720 H LYS 93 H LYS 93 0.744 -22.075 16.753 721 HA LYS 93 HA LYS 93 2.386 -20.796 14.795 722 HB2 LYS 93 2HB LYS 93 3.520 -23.123 14.734 723 HB3 LYS 93 1HB LYS 93 3.633 -22.149 16.189 724 HG2 LYS 93 2HG LYS 93 3.243 -24.382 16.862 725 HG3 LYS 93 1HG LYS 93 1.748 -23.496 17.147 726 HD2 LYS 93 2HD LYS 93 0.761 -24.445 15.147 727 HD3 LYS 93 1HD LYS 93 2.285 -25.235 14.732 728 HE2 LYS 93 2HE LYS 93 0.596 -25.800 17.177 729 HE3 LYS 93 1HE LYS 93 0.708 -26.815 15.740 730 HZ1 LYS 93 3HZ LYS 93 2.116 -27.709 17.432 731 HZ2 LYS 93 1HZ LYS 93 2.888 -26.222 17.674 732 HZ3 LYS 93 2HZ LYS 93 3.112 -27.064 16.225 733 H LYS 94 H LYS 94 -0.530 -21.666 14.158 734 HA LYS 94 HA LYS 94 0.165 -22.550 11.424 735 HB2 LYS 94 2HB LYS 94 -2.350 -23.192 12.985 736 HB3 LYS 94 1HB LYS 94 -2.104 -23.563 11.284 737 HG2 LYS 94 2HG LYS 94 -0.173 -24.995 11.934 738 HG3 LYS 94 1HG LYS 94 -0.587 -24.704 13.627 739 HD2 LYS 94 2HD LYS 94 -1.526 -26.822 12.887 740 HD3 LYS 94 1HD LYS 94 -2.820 -25.670 13.229 741 HE2 LYS 94 2HE LYS 94 -2.868 -25.148 10.765 742 HE3 LYS 94 1HE LYS 94 -1.756 -26.496 10.525 743 HZ1 LYS 94 3HZ LYS 94 -3.428 -27.950 11.560 744 HZ2 LYS 94 1HZ LYS 94 -3.996 -27.210 10.146 745 HZ3 LYS 94 2HZ LYS 94 -4.494 -26.637 11.657 746 H CYS 95 H CYS 95 -0.362 -19.872 12.914 747 HA CYS 95 HA CYS 95 -2.639 -18.828 11.398 748 HG CYS 95 HG CYS 95 -2.683 -19.724 14.432 749 HB2 CYS 95 2HB CYS 95 -0.918 -17.560 13.545 750 HB3 CYS 95 1HB CYS 95 -2.286 -16.770 12.769 751 H VAL 96 H VAL 96 -0.106 -19.524 10.030 752 HA VAL 96 HA VAL 96 1.050 -16.950 9.287 753 HB VAL 96 HB VAL 96 1.714 -19.720 8.250 754 HG11 VAL 96 1HG1 VAL 96 3.791 -18.692 7.422 755 HG12 VAL 96 2HG1 VAL 96 3.206 -17.109 7.932 756 HG13 VAL 96 3HG1 VAL 96 2.362 -17.993 6.661 757 HG21 VAL 96 3HG2 VAL 96 3.068 -18.059 10.377 758 HG22 VAL 96 1HG2 VAL 96 3.696 -19.567 9.709 759 HG23 VAL 96 2HG2 VAL 96 2.186 -19.568 10.618 760 H LEU 97 H LEU 97 0.423 -19.577 7.034 761 HA LEU 97 HA LEU 97 -1.645 -18.202 5.556 762 HG LEU 97 HG LEU 97 0.668 -16.268 5.450 763 HB2 LEU 97 2HB LEU 97 1.167 -18.492 4.466 764 HB3 LEU 97 1HB LEU 97 -0.222 -18.322 3.413 765 HD11 LEU 97 1HD1 LEU 97 1.341 -14.937 3.500 766 HD12 LEU 97 2HD1 LEU 97 0.961 -16.299 2.444 767 HD13 LEU 97 3HD1 LEU 97 2.264 -16.435 3.625 768 HD21 LEU 97 3HD2 LEU 97 -1.745 -16.226 5.062 769 HD22 LEU 97 1HD2 LEU 97 -1.476 -16.143 3.321 770 HD23 LEU 97 2HD2 LEU 97 -0.969 -14.808 4.358 771 H GLU 98 H GLU 98 -1.394 -19.647 3.142 772 HA GLU 98 HA GLU 98 -2.158 -22.268 3.754 773 HB2 GLU 98 2HB GLU 98 -1.733 -22.770 1.358 774 HB3 GLU 98 1HB GLU 98 -2.679 -21.307 1.591 775 HG2 GLU 98 2HG GLU 98 -0.750 -19.927 1.144 776 HG3 GLU 98 1HG GLU 98 0.287 -21.350 1.052 777 H HIS 99 H HIS 99 -0.963 -23.804 4.702 778 HA HIS 99 HA HIS 99 1.923 -23.806 4.606 779 HD1 HIS 99 HD1 HIS 99 1.453 -27.953 6.313 780 HD2 HIS 99 HD2 HIS 99 3.602 -24.411 6.616 781 HE1 HIS 99 HE1 HIS 99 3.707 -28.609 7.195 782 HE2 HIS 99 HE2 HIS 99 4.889 -26.431 7.596 783 HB2 HIS 99 2HB HIS 99 0.525 -24.589 6.575 784 HB3 HIS 99 1HB HIS 99 0.099 -26.008 5.624 785 H HIS 100 H HIS 100 1.904 -23.807 2.208 786 HA HIS 100 HA HIS 100 0.637 -25.925 0.771 787 HD1 HIS 100 HD1 HIS 100 3.183 -24.520 -2.597 788 HD2 HIS 100 HD2 HIS 100 -0.716 -25.567 -1.614 789 HE1 HIS 100 HE1 HIS 100 2.202 -25.497 -4.690 790 HE2 HIS 100 HE2 HIS 100 -0.091 -26.271 -4.022 791 HB2 HIS 100 2HB HIS 100 0.917 -23.566 -0.037 792 HB3 HIS 100 1HB HIS 100 2.629 -23.902 -0.269 793 H HIS 101 H HIS 101 1.392 -27.857 0.250 794 HA HIS 101 HA HIS 101 4.276 -28.310 -0.074 795 HD1 HIS 101 HD1 HIS 101 2.218 -32.069 1.186 796 HD2 HIS 101 HD2 HIS 101 1.211 -28.567 3.173 797 HE1 HIS 101 HE1 HIS 101 0.005 -32.528 2.274 798 HE2 HIS 101 HE2 HIS 101 -0.495 -30.453 3.608 799 HB2 HIS 101 2HB HIS 101 4.139 -30.385 1.304 800 HB3 HIS 101 1HB HIS 101 3.877 -28.917 2.238 801 H HIS 102 H HIS 102 4.804 -29.963 -1.522 802 HA HIS 102 HA HIS 102 2.970 -30.591 -3.555 803 HD1 HIS 102 HD1 HIS 102 7.091 -29.752 -3.286 804 HD2 HIS 102 HD2 HIS 102 4.244 -30.400 -6.243 805 HE1 HIS 102 HE1 HIS 102 7.654 -28.143 -5.124 806 HE2 HIS 102 HE2 HIS 102 6.042 -28.689 -6.974 807 HB2 HIS 102 2HB HIS 102 5.656 -31.735 -2.804 808 HB3 HIS 102 1HB HIS 102 4.738 -32.389 -4.154 809 H HIS 103 H HIS 103 1.301 -31.959 -3.550 810 HA HIS 103 HA HIS 103 1.044 -33.994 -1.508 811 HD1 HIS 103 HD1 HIS 103 -1.345 -35.953 -4.030 812 HD2 HIS 103 HD2 HIS 103 -2.243 -34.186 -0.377 813 HE1 HIS 103 HE1 HIS 103 -2.831 -37.584 -2.842 814 HE2 HIS 103 HE2 HIS 103 -3.212 -36.575 -0.577 815 HB2 HIS 103 2HB HIS 103 -0.907 -32.654 -2.252 816 HB3 HIS 103 1HB HIS 103 -0.774 -33.373 -3.853 817 H HIS 104 H HIS 104 1.202 -36.192 -1.764 818 HA HIS 104 HA HIS 104 2.273 -37.184 -4.309 819 HD1 HIS 104 HD1 HIS 104 1.348 -40.802 -2.826 820 HD2 HIS 104 HD2 HIS 104 5.048 -39.280 -3.941 821 HE1 HIS 104 HE1 HIS 104 2.515 -42.677 -4.012 822 HE2 HIS 104 HE2 HIS 104 4.789 -41.772 -4.577 823 HB2 HIS 104 2HB HIS 104 3.486 -37.756 -2.232 824 HB3 HIS 104 1HB HIS 104 2.047 -38.559 -1.614 Start of MODEL 18 1 HA MET 1 HA MET 1 -7.970 -10.779 5.749 2 H1 MET 1 1H MET 1 -9.150 -8.715 5.551 3 H2 MET 1 2H MET 1 -10.064 -9.955 4.855 4 H3 MET 1 3H MET 1 -9.231 -8.865 3.870 5 HB2 MET 1 2HB MET 1 -9.121 -11.747 3.688 6 HB3 MET 1 1HB MET 1 -7.951 -10.865 2.720 7 HG2 MET 1 2HG MET 1 -7.296 -12.991 4.756 8 HG3 MET 1 1HG MET 1 -7.332 -13.214 3.008 9 HE1 MET 1 3HE MET 1 -3.504 -13.418 3.858 10 HE2 MET 1 1HE MET 1 -4.879 -14.246 3.131 11 HE3 MET 1 2HE MET 1 -4.829 -13.988 4.874 12 H ALA 2 H ALA 2 -5.870 -10.318 6.215 13 HA ALA 2 HA ALA 2 -4.433 -8.369 4.529 14 HB1 ALA 2 3HB ALA 2 -3.617 -7.200 6.502 15 HB2 ALA 2 1HB ALA 2 -4.535 -8.282 7.548 16 HB3 ALA 2 2HB ALA 2 -5.379 -7.179 6.461 17 H LYS 3 H LYS 3 -2.214 -8.658 4.360 18 HA LYS 3 HA LYS 3 -0.790 -10.501 6.044 19 HB2 LYS 3 2HB LYS 3 -0.105 -11.978 4.051 20 HB3 LYS 3 1HB LYS 3 -1.681 -12.240 4.773 21 HG2 LYS 3 2HG LYS 3 -1.976 -12.388 2.436 22 HG3 LYS 3 1HG LYS 3 -2.659 -10.838 2.923 23 HD2 LYS 3 2HD LYS 3 -0.709 -9.669 2.104 24 HD3 LYS 3 1HD LYS 3 0.110 -11.196 1.763 25 HE2 LYS 3 2HE LYS 3 -0.785 -10.219 -0.284 26 HE3 LYS 3 1HE LYS 3 -1.596 -11.737 0.090 27 HZ1 LYS 3 3HZ LYS 3 -2.679 -9.033 0.680 28 HZ2 LYS 3 1HZ LYS 3 -3.466 -10.503 0.958 29 HZ3 LYS 3 2HZ LYS 3 -3.140 -10.004 -0.622 30 H ALA 4 H ALA 4 -0.551 -7.712 5.116 31 HA ALA 4 HA ALA 4 2.190 -7.860 4.000 32 HB1 ALA 4 3HB ALA 4 0.603 -6.873 2.396 33 HB2 ALA 4 1HB ALA 4 1.827 -5.715 2.919 34 HB3 ALA 4 2HB ALA 4 0.194 -5.631 3.580 35 H GLN 5 H GLN 5 3.380 -5.666 4.467 36 HA GLN 5 HA GLN 5 4.363 -4.247 5.945 37 HB2 GLN 5 2HB GLN 5 1.669 -4.404 7.315 38 HB3 GLN 5 1HB GLN 5 2.964 -3.339 7.843 39 HG2 GLN 5 2HG GLN 5 2.916 -2.216 5.657 40 HG3 GLN 5 1HG GLN 5 1.590 -3.268 5.160 41 HE21 GLN 5 1HE2 GLN 5 -0.449 -2.969 6.065 42 HE22 GLN 5 2HE2 GLN 5 -0.867 -1.531 6.925 43 HA PRO 6 HA PRO 6 6.198 -6.533 9.369 44 HB2 PRO 6 2HB PRO 6 6.080 -4.608 11.403 45 HB3 PRO 6 1HB PRO 6 7.394 -4.790 10.237 46 HG2 PRO 6 2HG PRO 6 5.075 -2.903 10.199 47 HG3 PRO 6 1HG PRO 6 6.759 -2.628 9.710 48 HD2 PRO 6 2HD PRO 6 4.835 -3.001 7.886 49 HD3 PRO 6 1HD PRO 6 6.460 -3.678 7.647 50 H ILE 7 H ILE 7 5.415 -7.891 10.944 51 HA ILE 7 HA ILE 7 2.578 -7.992 11.271 52 HB ILE 7 HB ILE 7 4.746 -9.667 12.563 53 HG12 ILE 7 2HG1 ILE 7 3.831 -11.436 10.990 54 HG13 ILE 7 1HG1 ILE 7 2.889 -10.169 10.216 55 HG21 ILE 7 1HG2 ILE 7 1.751 -10.051 12.628 56 HG22 ILE 7 2HG2 ILE 7 2.792 -9.661 13.998 57 HG23 ILE 7 3HG2 ILE 7 2.940 -11.224 13.195 58 HD11 ILE 7 3HD1 ILE 7 4.916 -10.691 8.976 59 HD12 ILE 7 1HD1 ILE 7 5.894 -10.271 10.382 60 HD13 ILE 7 2HD1 ILE 7 4.939 -9.031 9.569 61 H GLU 8 H GLU 8 1.576 -6.560 12.545 62 HA GLU 8 HA GLU 8 2.774 -5.760 15.100 63 HB2 GLU 8 2HB GLU 8 2.006 -3.977 13.593 64 HB3 GLU 8 1HB GLU 8 0.383 -4.642 13.609 65 HG2 GLU 8 2HG GLU 8 1.692 -3.766 16.160 66 HG3 GLU 8 1HG GLU 8 0.949 -2.587 15.086 67 H ILE 9 H ILE 9 2.156 -6.697 16.929 68 HA ILE 9 HA ILE 9 -0.649 -7.523 17.263 69 HB ILE 9 HB ILE 9 1.703 -9.200 18.192 70 HG12 ILE 9 2HG1 ILE 9 -0.345 -9.786 16.028 71 HG13 ILE 9 1HG1 ILE 9 1.337 -9.352 15.742 72 HG21 ILE 9 1HG2 ILE 9 -0.008 -10.821 18.887 73 HG22 ILE 9 2HG2 ILE 9 -1.271 -9.693 18.396 74 HG23 ILE 9 3HG2 ILE 9 -0.193 -9.282 19.730 75 HD11 ILE 9 3HD1 ILE 9 0.984 -11.741 15.506 76 HD12 ILE 9 1HD1 ILE 9 0.375 -11.831 17.160 77 HD13 ILE 9 2HD1 ILE 9 2.060 -11.395 16.860 78 H ALA 10 H ALA 10 -1.350 -6.122 18.773 79 HA ALA 10 HA ALA 10 -1.622 -5.050 20.762 80 HB1 ALA 10 3HB ALA 10 -1.415 -7.340 21.640 81 HB2 ALA 10 1HB ALA 10 -0.809 -6.131 22.772 82 HB3 ALA 10 2HB ALA 10 0.322 -7.099 21.825 83 H GLY 11 H GLY 11 0.502 -4.125 18.952 84 HA2 GLY 11 2HA GLY 11 1.763 -2.128 19.189 85 HA3 GLY 11 1HA GLY 11 1.969 -2.476 20.896 86 H HIS 12 H HIS 12 2.608 -5.334 19.491 87 HA HIS 12 HA HIS 12 5.501 -4.848 19.455 88 HD1 HIS 12 HD1 HIS 12 6.813 -7.074 21.675 89 HD2 HIS 12 HD2 HIS 12 2.721 -6.394 21.933 90 HE1 HIS 12 HE1 HIS 12 6.315 -6.904 24.127 91 HE2 HIS 12 HE2 HIS 12 3.812 -6.677 24.265 92 HB2 HIS 12 2HB HIS 12 3.904 -7.419 19.485 93 HB3 HIS 12 1HB HIS 12 5.662 -7.341 19.468 94 H GLU 13 H GLU 13 6.712 -4.928 17.624 95 HA GLU 13 HA GLU 13 5.310 -5.632 15.124 96 HB2 GLU 13 2HB GLU 13 6.807 -4.116 13.942 97 HB3 GLU 13 1HB GLU 13 5.975 -3.270 15.236 98 HG2 GLU 13 2HG GLU 13 8.801 -4.303 15.422 99 HG3 GLU 13 1HG GLU 13 8.368 -2.656 14.975 100 H PHE 14 H PHE 14 6.095 -7.175 13.821 101 HA PHE 14 HA PHE 14 8.690 -8.400 14.524 102 HD1 PHE 14 HD1 PHE 14 8.547 -10.433 16.382 103 HD2 PHE 14 HD2 PHE 14 4.584 -9.360 15.238 104 HE1 PHE 14 HE1 PHE 14 7.822 -10.609 18.724 105 HE2 PHE 14 HE2 PHE 14 3.861 -9.537 17.580 106 HZ PHE 14 HZ PHE 14 5.481 -10.159 19.326 107 HB2 PHE 14 2HB PHE 14 6.194 -9.835 13.577 108 HB3 PHE 14 1HB PHE 14 7.729 -10.588 13.997 109 H ALA 15 H ALA 15 10.023 -9.078 12.880 110 HA ALA 15 HA ALA 15 9.814 -7.655 10.424 111 HB1 ALA 15 3HB ALA 15 11.923 -8.725 9.832 112 HB2 ALA 15 1HB ALA 15 11.742 -9.853 11.177 113 HB3 ALA 15 2HB ALA 15 11.966 -8.133 11.492 114 H ARG 16 H ARG 16 9.277 -11.037 11.287 115 HA ARG 16 HA ARG 16 8.020 -11.469 8.672 116 HE ARG 16 HE ARG 16 12.142 -12.412 8.728 117 HB2 ARG 16 2HB ARG 16 9.077 -13.681 8.435 118 HB3 ARG 16 1HB ARG 16 10.257 -12.383 8.400 119 HG2 ARG 16 2HG ARG 16 9.691 -13.878 10.943 120 HG3 ARG 16 1HG ARG 16 10.793 -14.527 9.728 121 HD2 ARG 16 2HD ARG 16 11.055 -11.844 11.101 122 HD3 ARG 16 1HD ARG 16 11.993 -13.291 11.475 123 HH11 ARG 16 1HH1 ARG 16 13.584 -12.253 11.866 124 HH12 ARG 16 2HH1 ARG 16 15.114 -11.748 11.236 125 HH21 ARG 16 1HH2 ARG 16 14.112 -11.787 7.964 126 HH22 ARG 16 2HH2 ARG 16 15.409 -11.495 9.069 127 H LYS 17 H LYS 17 6.733 -13.531 8.620 128 HA LYS 17 HA LYS 17 4.800 -13.610 10.612 129 HB2 LYS 17 2HB LYS 17 4.511 -14.546 8.344 130 HB3 LYS 17 1HB LYS 17 5.620 -15.849 8.742 131 HG2 LYS 17 2HG LYS 17 3.459 -16.762 8.918 132 HG3 LYS 17 1HG LYS 17 4.007 -16.508 10.576 133 HD2 LYS 17 2HD LYS 17 2.714 -14.404 10.660 134 HD3 LYS 17 1HD LYS 17 2.151 -14.699 9.013 135 HE2 LYS 17 2HE LYS 17 1.236 -16.906 9.871 136 HE3 LYS 17 1HE LYS 17 1.553 -16.296 11.495 137 HZ1 LYS 17 3HZ LYS 17 -0.170 -14.957 9.487 138 HZ2 LYS 17 1HZ LYS 17 0.071 -14.465 11.086 139 HZ3 LYS 17 2HZ LYS 17 -0.737 -15.917 10.752 140 H ALA 18 H ALA 18 7.597 -15.773 10.193 141 HA ALA 18 HA ALA 18 7.057 -17.478 12.367 142 HB1 ALA 18 3HB ALA 18 9.735 -16.817 11.143 143 HB2 ALA 18 1HB ALA 18 8.604 -18.030 10.543 144 HB3 ALA 18 2HB ALA 18 9.352 -18.232 12.128 145 H ASP 19 H ASP 19 8.508 -14.308 12.266 146 HA ASP 19 HA ASP 19 9.912 -14.392 14.729 147 HB2 ASP 19 2HB ASP 19 10.248 -12.703 12.905 148 HB3 ASP 19 1HB ASP 19 8.709 -11.975 13.342 149 H ALA 20 H ALA 20 6.588 -13.560 13.870 150 HA ALA 20 HA ALA 20 5.775 -12.725 16.482 151 HB1 ALA 20 3HB ALA 20 4.108 -13.687 14.153 152 HB2 ALA 20 1HB ALA 20 4.578 -12.018 14.474 153 HB3 ALA 20 2HB ALA 20 3.499 -12.858 15.587 154 H LEU 21 H LEU 21 5.395 -15.756 14.660 155 HA LEU 21 HA LEU 21 3.969 -17.182 16.624 156 HG LEU 21 HG LEU 21 4.005 -16.952 13.463 157 HB2 LEU 21 2HB LEU 21 5.825 -18.256 14.491 158 HB3 LEU 21 1HB LEU 21 4.648 -19.202 15.385 159 HD11 LEU 21 1HD1 LEU 21 4.821 -18.947 12.328 160 HD12 LEU 21 2HD1 LEU 21 3.099 -18.709 12.037 161 HD13 LEU 21 3HD1 LEU 21 3.637 -19.933 13.187 162 HD21 LEU 21 3HD2 LEU 21 2.355 -17.052 15.243 163 HD22 LEU 21 1HD2 LEU 21 2.173 -18.792 15.011 164 HD23 LEU 21 2HD2 LEU 21 1.665 -17.674 13.744 165 H ALA 22 H ALA 22 7.460 -17.016 15.960 166 HA ALA 22 HA ALA 22 8.312 -18.828 17.928 167 HB1 ALA 22 3HB ALA 22 9.759 -18.043 16.113 168 HB2 ALA 22 1HB ALA 22 10.515 -17.810 17.689 169 HB3 ALA 22 2HB ALA 22 9.804 -16.436 16.839 170 H PHE 23 H PHE 23 7.678 -15.338 18.115 171 HA PHE 23 HA PHE 23 8.663 -14.814 20.673 172 HD1 PHE 23 HD1 PHE 23 9.105 -12.069 21.047 173 HD2 PHE 23 HD2 PHE 23 4.926 -12.882 21.222 174 HE1 PHE 23 HE1 PHE 23 8.890 -10.538 22.958 175 HE2 PHE 23 HE2 PHE 23 4.707 -11.350 23.135 176 HZ PHE 23 HZ PHE 23 6.691 -10.176 24.005 177 HB2 PHE 23 2HB PHE 23 7.848 -13.069 19.118 178 HB3 PHE 23 1HB PHE 23 6.197 -13.624 19.364 179 H MET 24 H MET 24 5.371 -15.842 19.738 180 HA MET 24 HA MET 24 4.359 -16.123 22.353 181 HB2 MET 24 2HB MET 24 3.554 -17.462 19.765 182 HB3 MET 24 1HB MET 24 2.668 -17.664 21.271 183 HG2 MET 24 2HG MET 24 2.256 -15.259 21.358 184 HG3 MET 24 1HG MET 24 3.143 -15.052 19.851 185 HE1 MET 24 3HE MET 24 0.850 -16.715 17.217 186 HE2 MET 24 1HE MET 24 2.266 -17.400 18.016 187 HE3 MET 24 2HE MET 24 2.273 -15.713 17.501 188 H LYS 25 H LYS 25 6.032 -18.420 20.243 189 HA LYS 25 HA LYS 25 5.853 -20.705 21.853 190 HB2 LYS 25 2HB LYS 25 6.625 -20.698 19.507 191 HB3 LYS 25 1HB LYS 25 8.094 -19.871 19.989 192 HG2 LYS 25 2HG LYS 25 7.409 -22.543 21.167 193 HG3 LYS 25 1HG LYS 25 8.132 -22.430 19.564 194 HD2 LYS 25 2HD LYS 25 10.015 -21.142 20.557 195 HD3 LYS 25 1HD LYS 25 9.305 -21.390 22.153 196 HE2 LYS 25 2HE LYS 25 11.076 -23.005 21.759 197 HE3 LYS 25 1HE LYS 25 9.517 -23.826 21.850 198 HZ1 LYS 25 3HZ LYS 25 9.476 -23.846 19.403 199 HZ2 LYS 25 1HZ LYS 25 10.792 -24.703 20.031 200 HZ3 LYS 25 2HZ LYS 25 11.022 -23.162 19.379 201 H VAL 26 H VAL 26 8.288 -18.101 21.853 202 HA VAL 26 HA VAL 26 10.040 -19.147 23.755 203 HB VAL 26 HB VAL 26 9.368 -16.241 23.224 204 HG11 VAL 26 1HG1 VAL 26 10.405 -16.476 25.426 205 HG12 VAL 26 2HG1 VAL 26 11.517 -15.710 24.290 206 HG13 VAL 26 3HG1 VAL 26 11.725 -17.409 24.718 207 HG21 VAL 26 3HG2 VAL 26 10.243 -17.382 21.261 208 HG22 VAL 26 1HG2 VAL 26 11.603 -18.001 22.197 209 HG23 VAL 26 2HG2 VAL 26 11.454 -16.269 21.896 210 H MET 27 H MET 27 7.395 -16.781 24.374 211 HA MET 27 HA MET 27 7.698 -16.928 27.191 212 HB2 MET 27 2HB MET 27 5.586 -15.715 27.350 213 HB3 MET 27 1HB MET 27 6.632 -15.003 26.133 214 HG2 MET 27 2HG MET 27 5.327 -16.085 24.374 215 HG3 MET 27 1HG MET 27 4.277 -16.800 25.599 216 HE1 MET 27 3HE MET 27 2.149 -15.769 24.381 217 HE2 MET 27 1HE MET 27 3.166 -15.012 23.155 218 HE3 MET 27 2HE MET 27 1.961 -14.055 24.016 219 H LEU 28 H LEU 28 5.674 -18.745 24.937 220 HA LEU 28 HA LEU 28 4.065 -20.145 26.738 221 HG LEU 28 HG LEU 28 4.328 -23.018 25.426 222 HB2 LEU 28 2HB LEU 28 3.820 -20.258 24.296 223 HB3 LEU 28 1HB LEU 28 5.334 -21.130 24.175 224 HD11 LEU 28 1HD1 LEU 28 1.886 -23.071 25.751 225 HD12 LEU 28 2HD1 LEU 28 1.799 -21.378 25.261 226 HD13 LEU 28 3HD1 LEU 28 2.669 -21.829 26.727 227 HD21 LEU 28 3HD2 LEU 28 2.811 -22.149 22.963 228 HD22 LEU 28 1HD2 LEU 28 2.856 -23.789 23.615 229 HD23 LEU 28 2HD2 LEU 28 4.331 -23.045 22.998 230 H ASN 29 H ASN 29 7.332 -20.895 25.570 231 HA ASN 29 HA ASN 29 7.638 -23.223 27.233 232 HB2 ASN 29 2HB ASN 29 9.593 -21.638 25.555 233 HB3 ASN 29 1HB ASN 29 10.048 -23.075 26.464 234 HD21 ASN 29 1HD2 ASN 29 6.939 -22.728 24.884 235 HD22 ASN 29 2HD2 ASN 29 7.231 -23.910 23.667 236 H ARG 30 H ARG 30 7.856 -19.906 27.808 237 HA ARG 30 HA ARG 30 9.823 -19.981 29.903 238 HE ARG 30 HE ARG 30 10.615 -15.820 32.297 239 HB2 ARG 30 2HB ARG 30 9.001 -17.968 28.440 240 HB3 ARG 30 1HB ARG 30 7.723 -17.837 29.635 241 HG2 ARG 30 2HG ARG 30 10.661 -17.766 30.314 242 HG3 ARG 30 1HG ARG 30 9.695 -16.330 29.987 243 HD2 ARG 30 2HD ARG 30 8.265 -16.815 31.883 244 HD3 ARG 30 1HD ARG 30 9.117 -18.333 32.172 245 HH11 ARG 30 1HH1 ARG 30 9.238 -18.524 33.916 246 HH12 ARG 30 2HH1 ARG 30 10.201 -18.301 35.336 247 HH21 ARG 30 1HH2 ARG 30 11.845 -15.541 34.128 248 HH22 ARG 30 2HH2 ARG 30 11.638 -16.615 35.466 249 H TYR 31 H TYR 31 6.269 -20.006 29.741 250 HA TYR 31 HA TYR 31 5.947 -20.246 32.612 251 HD1 TYR 31 HD1 TYR 31 3.761 -18.462 33.366 252 HD2 TYR 31 HD2 TYR 31 4.259 -18.602 29.141 253 HE1 TYR 31 HE1 TYR 31 3.416 -16.031 33.247 254 HE2 TYR 31 HE2 TYR 31 3.919 -16.172 29.013 255 HH TYR 31 HH TYR 31 3.081 -14.361 30.195 256 HB2 TYR 31 2HB TYR 31 3.944 -20.617 30.367 257 HB3 TYR 31 1HB TYR 31 3.544 -20.596 32.078 258 H ARG 32 H ARG 32 4.575 -22.112 33.488 259 HA ARG 32 HA ARG 32 5.467 -24.671 32.318 260 HE ARG 32 HE ARG 32 9.084 -23.575 35.101 261 HB2 ARG 32 2HB ARG 32 4.634 -24.006 35.153 262 HB3 ARG 32 1HB ARG 32 4.956 -25.637 34.582 263 HG2 ARG 32 2HG ARG 32 6.913 -24.958 35.691 264 HG3 ARG 32 1HG ARG 32 7.280 -24.831 33.972 265 HD2 ARG 32 2HD ARG 32 6.836 -22.408 34.077 266 HD3 ARG 32 1HD ARG 32 6.517 -22.554 35.807 267 HH11 ARG 32 1HH1 ARG 32 7.354 -20.678 35.732 268 HH12 ARG 32 2HH1 ARG 32 8.763 -19.805 36.209 269 HH21 ARG 32 1HH2 ARG 32 10.901 -22.448 35.703 270 HH22 ARG 32 2HH2 ARG 32 10.754 -20.790 36.177 271 HA PRO 33 HA PRO 33 1.316 -25.891 31.282 272 HB2 PRO 33 2HB PRO 33 1.918 -28.534 32.486 273 HB3 PRO 33 1HB PRO 33 1.394 -28.131 30.847 274 HG2 PRO 33 2HG PRO 33 3.908 -28.859 31.364 275 HG3 PRO 33 1HG PRO 33 3.544 -27.641 30.135 276 HD2 PRO 33 2HD PRO 33 4.607 -27.297 32.913 277 HD3 PRO 33 1HD PRO 33 5.014 -26.406 31.429 278 H GLY 34 H GLY 34 0.674 -24.442 33.023 279 HA2 GLY 34 2HA GLY 34 -1.422 -25.367 34.514 280 HA3 GLY 34 1HA GLY 34 -0.051 -25.522 35.599 281 H ASP 35 H ASP 35 1.048 -23.007 34.104 282 HA ASP 35 HA ASP 35 -0.006 -21.142 36.054 283 HB2 ASP 35 2HB ASP 35 2.155 -20.853 33.958 284 HB3 ASP 35 1HB ASP 35 1.715 -19.589 35.102 285 H ILE 36 H ILE 36 -0.797 -19.055 35.597 286 HA ILE 36 HA ILE 36 -2.273 -18.774 33.078 287 HB ILE 36 HB ILE 36 -2.371 -17.078 35.593 288 HG12 ILE 36 2HG1 ILE 36 -3.235 -19.342 35.981 289 HG13 ILE 36 1HG1 ILE 36 -4.546 -18.168 36.003 290 HG21 ILE 36 1HG2 ILE 36 -2.991 -15.785 33.635 291 HG22 ILE 36 2HG2 ILE 36 -4.419 -16.115 34.617 292 HG23 ILE 36 3HG2 ILE 36 -4.132 -17.036 33.139 293 HD11 ILE 36 3HD1 ILE 36 -3.848 -20.026 33.739 294 HD12 ILE 36 1HD1 ILE 36 -5.134 -18.818 33.709 295 HD13 ILE 36 2HD1 ILE 36 -5.217 -20.168 34.839 296 H VAL 37 H VAL 37 -1.759 -17.251 31.555 297 HA VAL 37 HA VAL 37 0.852 -16.181 31.502 298 HB VAL 37 HB VAL 37 -1.506 -15.430 29.756 299 HG11 VAL 37 1HG1 VAL 37 1.464 -15.111 29.294 300 HG12 VAL 37 2HG1 VAL 37 0.309 -13.809 29.579 301 HG13 VAL 37 3HG1 VAL 37 0.201 -14.776 28.109 302 HG21 VAL 37 3HG2 VAL 37 -1.082 -17.839 29.731 303 HG22 VAL 37 1HG2 VAL 37 0.618 -17.547 29.356 304 HG23 VAL 37 2HG2 VAL 37 -0.632 -17.106 28.190 305 H SER 38 H SER 38 1.671 -14.159 31.868 306 HA SER 38 HA SER 38 0.531 -12.461 33.755 307 HG SER 38 HG SER 38 3.165 -10.089 32.737 308 HB2 SER 38 2HB SER 38 2.899 -12.422 33.412 309 HB3 SER 38 1HB SER 38 2.712 -11.953 31.724 310 H THR 39 H THR 39 0.110 -10.094 33.477 311 HA THR 39 HA THR 39 -2.219 -9.716 31.979 312 HB THR 39 HB THR 39 -0.398 -7.587 33.131 313 HG1 THR 39 HG1 THR 39 -1.504 -9.339 34.508 314 HG21 THR 39 3HG2 THR 39 -3.308 -7.416 32.315 315 HG22 THR 39 1HG2 THR 39 -1.956 -6.638 31.491 316 HG23 THR 39 2HG2 THR 39 -2.391 -6.148 33.129 317 H VAL 40 H VAL 40 1.001 -8.254 31.366 318 HA VAL 40 HA VAL 40 0.213 -6.921 28.998 319 HB VAL 40 HB VAL 40 3.011 -7.772 29.778 320 HG11 VAL 40 1HG1 VAL 40 2.066 -5.573 27.931 321 HG12 VAL 40 2HG1 VAL 40 2.840 -7.081 27.440 322 HG13 VAL 40 3HG1 VAL 40 3.741 -5.895 28.383 323 HG21 VAL 40 3HG2 VAL 40 1.497 -5.241 30.450 324 HG22 VAL 40 1HG2 VAL 40 3.213 -5.516 30.764 325 HG23 VAL 40 2HG2 VAL 40 1.998 -6.498 31.582 326 H ASP 41 H ASP 41 2.026 -9.959 29.460 327 HA ASP 41 HA ASP 41 2.269 -10.652 26.744 328 HB2 ASP 41 2HB ASP 41 2.062 -12.591 29.062 329 HB3 ASP 41 1HB ASP 41 2.905 -12.833 27.533 330 H GLY 42 H GLY 42 -0.298 -11.267 29.091 331 HA2 GLY 42 2HA GLY 42 -1.891 -13.006 27.519 332 HA3 GLY 42 1HA GLY 42 -2.458 -12.015 28.856 333 H ALA 43 H ALA 43 -1.921 -9.464 27.891 334 HA ALA 43 HA ALA 43 -4.066 -8.877 26.193 335 HB1 ALA 43 3HB ALA 43 -1.560 -7.243 26.643 336 HB2 ALA 43 1HB ALA 43 -3.003 -7.216 27.656 337 HB3 ALA 43 2HB ALA 43 -3.085 -6.644 25.991 338 H PHE 44 H PHE 44 -0.651 -9.460 25.467 339 HA PHE 44 HA PHE 44 -0.650 -8.973 22.714 340 HD1 PHE 44 HD1 PHE 44 0.984 -12.673 22.363 341 HD2 PHE 44 HD2 PHE 44 2.321 -8.648 21.970 342 HE1 PHE 44 HE1 PHE 44 2.161 -13.266 20.290 343 HE2 PHE 44 HE2 PHE 44 3.502 -9.243 19.898 344 HZ PHE 44 HZ PHE 44 3.422 -11.553 19.053 345 HB2 PHE 44 2HB PHE 44 1.388 -9.431 24.046 346 HB3 PHE 44 1HB PHE 44 0.880 -11.103 24.245 347 H LEU 45 H LEU 45 -1.376 -11.976 24.484 348 HA LEU 45 HA LEU 45 -2.004 -13.570 22.248 349 HG LEU 45 HG LEU 45 -0.431 -14.190 24.657 350 HB2 LEU 45 2HB LEU 45 -2.851 -13.739 25.138 351 HB3 LEU 45 1HB LEU 45 -3.270 -14.962 23.952 352 HD11 LEU 45 1HD1 LEU 45 -1.525 -15.197 26.585 353 HD12 LEU 45 2HD1 LEU 45 -0.340 -16.301 25.891 354 HD13 LEU 45 3HD1 LEU 45 -2.061 -16.554 25.593 355 HD21 LEU 45 3HD2 LEU 45 -0.679 -15.110 22.408 356 HD22 LEU 45 1HD2 LEU 45 -1.542 -16.505 23.061 357 HD23 LEU 45 2HD2 LEU 45 0.157 -16.247 23.465 358 H VAL 46 H VAL 46 -4.071 -11.480 24.258 359 HA VAL 46 HA VAL 46 -6.561 -12.136 23.191 360 HB VAL 46 HB VAL 46 -5.600 -9.407 24.095 361 HG11 VAL 46 1HG1 VAL 46 -8.422 -10.412 23.688 362 HG12 VAL 46 2HG1 VAL 46 -7.599 -9.184 22.725 363 HG13 VAL 46 3HG1 VAL 46 -7.978 -8.866 24.417 364 HG21 VAL 46 3HG2 VAL 46 -5.406 -11.075 25.854 365 HG22 VAL 46 1HG2 VAL 46 -7.075 -11.578 25.591 366 HG23 VAL 46 2HG2 VAL 46 -6.727 -9.966 26.215 367 H GLU 47 H GLU 47 -4.290 -9.620 22.049 368 HA GLU 47 HA GLU 47 -5.743 -8.938 19.717 369 HB2 GLU 47 2HB GLU 47 -2.866 -8.626 20.544 370 HB3 GLU 47 1HB GLU 47 -3.396 -8.142 18.939 371 HG2 GLU 47 2HG GLU 47 -4.682 -7.112 21.458 372 HG3 GLU 47 1HG GLU 47 -3.302 -6.327 20.692 373 H ALA 48 H ALA 48 -3.038 -11.206 20.209 374 HA ALA 48 HA ALA 48 -2.718 -12.076 17.581 375 HB1 ALA 48 3HB ALA 48 -1.683 -14.076 18.518 376 HB2 ALA 48 1HB ALA 48 -2.373 -13.710 20.099 377 HB3 ALA 48 2HB ALA 48 -1.164 -12.636 19.394 378 H LEU 49 H LEU 49 -5.109 -12.986 19.973 379 HA LEU 49 HA LEU 49 -6.222 -15.162 18.457 380 HG LEU 49 HG LEU 49 -9.156 -14.718 19.776 381 HB2 LEU 49 2HB LEU 49 -6.368 -15.160 20.869 382 HB3 LEU 49 1HB LEU 49 -7.223 -13.629 20.856 383 HD11 LEU 49 1HD1 LEU 49 -9.264 -17.157 19.602 384 HD12 LEU 49 2HD1 LEU 49 -7.571 -17.270 20.087 385 HD13 LEU 49 3HD1 LEU 49 -8.005 -16.486 18.567 386 HD21 LEU 49 3HD2 LEU 49 -9.877 -16.033 21.719 387 HD22 LEU 49 1HD2 LEU 49 -9.082 -14.534 22.198 388 HD23 LEU 49 2HD2 LEU 49 -8.214 -16.066 22.311 389 H LYS 50 H LYS 50 -7.485 -11.931 19.332 390 HA LYS 50 HA LYS 50 -9.857 -11.923 17.944 391 HB2 LYS 50 2HB LYS 50 -7.917 -9.706 18.571 392 HB3 LYS 50 1HB LYS 50 -9.426 -9.379 17.731 393 HG2 LYS 50 2HG LYS 50 -10.707 -10.172 19.608 394 HG3 LYS 50 1HG LYS 50 -9.240 -10.695 20.441 395 HD2 LYS 50 2HD LYS 50 -8.501 -8.443 20.730 396 HD3 LYS 50 1HD LYS 50 -9.738 -7.828 19.635 397 HE2 LYS 50 2HE LYS 50 -10.334 -9.194 22.259 398 HE3 LYS 50 1HE LYS 50 -10.206 -7.446 22.064 399 HZ1 LYS 50 3HZ LYS 50 -12.501 -8.182 21.972 400 HZ2 LYS 50 1HZ LYS 50 -12.156 -9.200 20.668 401 HZ3 LYS 50 2HZ LYS 50 -12.038 -7.523 20.486 402 H ARG 51 H ARG 51 -6.650 -11.520 16.597 403 HA ARG 51 HA ARG 51 -7.657 -10.502 14.070 404 HE ARG 51 HE ARG 51 -4.622 -7.361 16.807 405 HB2 ARG 51 2HB ARG 51 -4.840 -11.215 14.915 406 HB3 ARG 51 1HB ARG 51 -5.285 -10.378 13.429 407 HG2 ARG 51 2HG ARG 51 -6.214 -8.531 14.740 408 HG3 ARG 51 1HG ARG 51 -5.782 -9.367 16.229 409 HD2 ARG 51 2HD ARG 51 -3.398 -9.271 15.512 410 HD3 ARG 51 1HD ARG 51 -3.899 -8.286 14.134 411 HH11 ARG 51 1HH1 ARG 51 -2.634 -6.988 14.017 412 HH12 ARG 51 2HH1 ARG 51 -2.068 -5.430 14.504 413 HH21 ARG 51 1HH2 ARG 51 -3.897 -5.344 17.389 414 HH22 ARG 51 2HH2 ARG 51 -2.769 -4.517 16.364 415 H HIS 52 H HIS 52 -8.119 -13.388 15.115 416 HA HIS 52 HA HIS 52 -7.438 -14.702 12.550 417 HD1 HIS 52 HD1 HIS 52 -5.222 -15.859 12.910 418 HD2 HIS 52 HD2 HIS 52 -6.313 -16.308 16.890 419 HE1 HIS 52 HE1 HIS 52 -3.070 -16.052 14.174 420 HE2 HIS 52 HE2 HIS 52 -3.764 -16.032 16.591 421 HB2 HIS 52 2HB HIS 52 -8.314 -16.006 15.146 422 HB3 HIS 52 1HB HIS 52 -7.881 -16.847 13.665 423 HA PRO 53 HA PRO 53 -11.835 -14.512 11.531 424 HB2 PRO 53 2HB PRO 53 -11.916 -16.688 9.837 425 HB3 PRO 53 1HB PRO 53 -11.374 -15.078 9.355 426 HG2 PRO 53 2HG PRO 53 -9.748 -17.465 10.147 427 HG3 PRO 53 1HG PRO 53 -9.470 -16.304 8.835 428 HD2 PRO 53 2HD PRO 53 -8.104 -16.169 11.150 429 HD3 PRO 53 1HD PRO 53 -8.584 -14.702 10.268 430 H ASP 54 H ASP 54 -10.300 -17.596 12.348 431 HA ASP 54 HA ASP 54 -12.735 -18.702 13.478 432 HB2 ASP 54 2HB ASP 54 -9.900 -19.764 13.348 433 HB3 ASP 54 1HB ASP 54 -11.272 -20.658 13.999 434 H ALA 55 H ALA 55 -12.361 -16.469 14.872 435 HA ALA 55 HA ALA 55 -11.259 -17.378 17.466 436 HB1 ALA 55 3HB ALA 55 -9.777 -15.707 16.462 437 HB2 ALA 55 1HB ALA 55 -10.532 -15.100 17.937 438 HB3 ALA 55 2HB ALA 55 -11.124 -14.572 16.361 439 H THR 56 H THR 56 -13.670 -15.351 15.850 440 HA THR 56 HA THR 56 -14.904 -14.062 17.893 441 HB THR 56 HB THR 56 -15.669 -13.626 15.692 442 HG1 THR 56 HG1 THR 56 -17.351 -13.247 17.053 443 HG21 THR 56 3HG2 THR 56 -15.288 -15.831 14.693 444 HG22 THR 56 1HG2 THR 56 -16.915 -15.250 14.331 445 HG23 THR 56 2HG2 THR 56 -16.673 -16.478 15.574 446 H SER 57 H SER 57 -15.699 -17.410 16.925 447 HA SER 57 HA SER 57 -17.715 -17.712 18.948 448 HG SER 57 HG SER 57 -16.210 -20.959 17.124 449 HB2 SER 57 2HB SER 57 -17.767 -20.076 18.249 450 HB3 SER 57 1HB SER 57 -17.814 -18.999 16.855 451 H LYS 58 H LYS 58 -14.290 -18.258 18.792 452 HA LYS 58 HA LYS 58 -14.141 -19.932 21.133 453 HB2 LYS 58 2HB LYS 58 -11.973 -18.417 19.652 454 HB3 LYS 58 1HB LYS 58 -11.695 -19.605 20.922 455 HG2 LYS 58 2HG LYS 58 -12.764 -21.327 19.519 456 HG3 LYS 58 1HG LYS 58 -12.974 -20.131 18.238 457 HD2 LYS 58 2HD LYS 58 -10.558 -19.851 18.071 458 HD3 LYS 58 1HD LYS 58 -10.315 -20.983 19.403 459 HE2 LYS 58 2HE LYS 58 -9.915 -22.065 17.252 460 HE3 LYS 58 1HE LYS 58 -11.311 -22.778 18.061 461 HZ1 LYS 58 3HZ LYS 58 -11.604 -22.335 15.639 462 HZ2 LYS 58 1HZ LYS 58 -11.529 -20.680 15.975 463 HZ3 LYS 58 2HZ LYS 58 -12.779 -21.619 16.622 464 H ILE 59 H ILE 59 -13.955 -16.505 20.457 465 HA ILE 59 HA ILE 59 -13.025 -15.751 23.081 466 HB ILE 59 HB ILE 59 -14.301 -14.060 20.913 467 HG12 ILE 59 2HG1 ILE 59 -11.375 -14.468 21.599 468 HG13 ILE 59 1HG1 ILE 59 -12.193 -15.168 20.208 469 HG21 ILE 59 1HG2 ILE 59 -13.304 -12.149 22.088 470 HG22 ILE 59 2HG2 ILE 59 -12.728 -13.227 23.360 471 HG23 ILE 59 3HG2 ILE 59 -14.460 -13.001 23.110 472 HD11 ILE 59 3HD1 ILE 59 -12.601 -12.923 19.328 473 HD12 ILE 59 1HD1 ILE 59 -10.883 -13.238 19.571 474 HD13 ILE 59 2HD1 ILE 59 -11.765 -12.232 20.719 475 H GLY 60 H GLY 60 -16.151 -15.592 21.359 476 HA2 GLY 60 2HA GLY 60 -18.311 -15.497 22.141 477 HA3 GLY 60 1HA GLY 60 -17.700 -16.090 23.677 478 HA PRO 61 HA PRO 61 -19.026 -11.910 24.897 479 HB2 PRO 61 2HB PRO 61 -19.045 -12.362 27.569 480 HB3 PRO 61 1HB PRO 61 -20.340 -12.920 26.504 481 HG2 PRO 61 2HG PRO 61 -18.012 -14.450 27.611 482 HG3 PRO 61 1HG PRO 61 -19.712 -14.940 27.488 483 HD2 PRO 61 2HD PRO 61 -17.809 -15.744 25.716 484 HD3 PRO 61 1HD PRO 61 -19.514 -15.526 25.269 485 H GLY 62 H GLY 62 -16.086 -13.593 25.523 486 HA2 GLY 62 2HA GLY 62 -14.270 -11.698 25.303 487 HA3 GLY 62 1HA GLY 62 -14.874 -11.295 26.900 488 H VAL 63 H VAL 63 -12.235 -11.859 26.514 489 HA VAL 63 HA VAL 63 -11.778 -14.632 27.356 490 HB VAL 63 HB VAL 63 -9.782 -12.462 26.647 491 HG11 VAL 63 1HG1 VAL 63 -8.118 -14.255 26.599 492 HG12 VAL 63 2HG1 VAL 63 -9.336 -15.413 27.137 493 HG13 VAL 63 3HG1 VAL 63 -8.836 -14.097 28.202 494 HG21 VAL 63 3HG2 VAL 63 -11.114 -13.154 24.717 495 HG22 VAL 63 1HG2 VAL 63 -10.722 -14.844 25.038 496 HG23 VAL 63 2HG2 VAL 63 -9.450 -13.717 24.564 497 H ARG 64 H ARG 64 -11.502 -15.134 29.444 498 HA ARG 64 HA ARG 64 -11.304 -13.027 31.432 499 HE ARG 64 HE ARG 64 -11.530 -13.835 36.012 500 HB2 ARG 64 2HB ARG 64 -12.809 -15.125 31.542 501 HB3 ARG 64 1HB ARG 64 -11.350 -16.000 31.976 502 HG2 ARG 64 2HG ARG 64 -12.346 -13.616 33.529 503 HG3 ARG 64 1HG ARG 64 -12.858 -15.268 33.872 504 HD2 ARG 64 2HD ARG 64 -10.447 -15.869 34.176 505 HD3 ARG 64 1HD ARG 64 -10.056 -14.156 34.020 506 HH11 ARG 64 1HH1 ARG 64 -9.962 -16.847 35.430 507 HH12 ARG 64 2HH1 ARG 64 -9.987 -17.305 37.099 508 HH21 ARG 64 1HH2 ARG 64 -11.544 -14.428 38.157 509 HH22 ARG 64 2HH2 ARG 64 -10.851 -15.942 38.628 510 H ASN 65 H ASN 65 -9.432 -15.953 30.565 511 HA ASN 65 HA ASN 65 -6.949 -14.574 30.987 512 HB2 ASN 65 2HB ASN 65 -6.074 -16.035 32.775 513 HB3 ASN 65 1HB ASN 65 -7.457 -15.092 33.317 514 HD21 ASN 65 1HD2 ASN 65 -6.326 -18.274 32.476 515 HD22 ASN 65 2HD2 ASN 65 -7.646 -19.134 33.181 516 H PHE 66 H PHE 66 -5.084 -15.788 30.315 517 HA PHE 66 HA PHE 66 -5.719 -18.147 28.668 518 HD1 PHE 66 HD2 PHE 66 -4.927 -17.995 25.783 519 HD2 PHE 66 HD1 PHE 66 -4.747 -14.333 27.958 520 HE1 PHE 66 HE2 PHE 66 -6.092 -16.847 23.944 521 HE2 PHE 66 HE1 PHE 66 -5.910 -13.186 26.122 522 HZ PHE 66 HZ PHE 66 -6.584 -14.439 24.111 523 HB2 PHE 66 2HB PHE 66 -3.385 -16.221 28.600 524 HB3 PHE 66 1HB PHE 66 -3.415 -17.719 27.679 525 H GLU 67 H GLU 67 -5.074 -20.117 29.316 526 HA GLU 67 HA GLU 67 -3.070 -20.305 31.485 527 HB2 GLU 67 2HB GLU 67 -5.274 -21.204 32.068 528 HB3 GLU 67 1HB GLU 67 -5.232 -22.264 30.666 529 HG2 GLU 67 2HG GLU 67 -3.249 -23.400 31.637 530 HG3 GLU 67 1HG GLU 67 -3.412 -22.387 33.070 531 H VAL 68 H VAL 68 -1.234 -21.470 31.202 532 HA VAL 68 HA VAL 68 -0.684 -22.609 28.576 533 HB VAL 68 HB VAL 68 1.114 -22.363 31.010 534 HG11 VAL 68 1HG1 VAL 68 2.954 -22.873 29.442 535 HG12 VAL 68 2HG1 VAL 68 1.770 -23.181 28.172 536 HG13 VAL 68 3HG1 VAL 68 1.823 -24.218 29.596 537 HG21 VAL 68 3HG2 VAL 68 2.181 -20.537 29.752 538 HG22 VAL 68 1HG2 VAL 68 0.482 -20.194 30.076 539 HG23 VAL 68 2HG2 VAL 68 0.984 -20.723 28.470 540 H ARG 69 H ARG 69 -1.003 -24.698 28.114 541 HA ARG 69 HA ARG 69 -0.892 -26.705 30.273 542 HE ARG 69 HE ARG 69 -4.916 -26.578 30.926 543 HB2 ARG 69 2HB ARG 69 -3.263 -25.950 29.786 544 HB3 ARG 69 1HB ARG 69 -3.075 -26.622 28.174 545 HG2 ARG 69 2HG ARG 69 -2.740 -28.845 29.131 546 HG3 ARG 69 1HG ARG 69 -2.902 -28.176 30.755 547 HD2 ARG 69 2HD ARG 69 -5.019 -28.195 28.600 548 HD3 ARG 69 1HD ARG 69 -4.994 -29.200 30.048 549 HH11 ARG 69 1HH1 ARG 69 -7.087 -28.586 29.153 550 HH12 ARG 69 2HH1 ARG 69 -8.479 -27.671 29.618 551 HH21 ARG 69 1HH2 ARG 69 -6.713 -25.431 31.533 552 HH22 ARG 69 2HH2 ARG 69 -8.278 -25.914 30.956 553 H SER 70 H SER 70 -0.585 -28.937 29.473 554 HA SER 70 HA SER 70 1.373 -29.087 27.430 555 HG SER 70 HG SER 70 -1.224 -31.204 28.397 556 HB2 SER 70 2HB SER 70 1.167 -31.571 27.724 557 HB3 SER 70 1HB SER 70 1.405 -30.698 29.237 558 H ALA 71 H ALA 71 1.164 -29.246 25.280 559 HA ALA 71 HA ALA 71 -1.465 -29.250 24.102 560 HB1 ALA 71 3HB ALA 71 0.342 -27.790 23.280 561 HB2 ALA 71 1HB ALA 71 -0.339 -28.804 22.007 562 HB3 ALA 71 2HB ALA 71 1.220 -29.214 22.724 563 H ASP 72 H ASP 72 1.327 -31.091 22.906 564 HA ASP 72 HA ASP 72 -0.473 -33.206 22.023 565 HB2 ASP 72 2HB ASP 72 2.515 -32.942 21.580 566 HB3 ASP 72 1HB ASP 72 1.404 -33.995 20.706 567 H TYR 73 H TYR 73 2.824 -33.503 23.316 568 HA TYR 73 HA TYR 73 1.842 -35.245 25.477 569 HD1 TYR 73 HD1 TYR 73 1.710 -38.094 25.296 570 HD2 TYR 73 HD2 TYR 73 2.927 -36.346 21.608 571 HE1 TYR 73 HE1 TYR 73 0.189 -39.595 24.087 572 HE2 TYR 73 HE2 TYR 73 1.403 -37.845 20.392 573 HH TYR 73 HH TYR 73 -1.005 -39.666 21.935 574 HB2 TYR 73 2HB TYR 73 4.144 -35.882 23.609 575 HB3 TYR 73 1HB TYR 73 3.814 -36.757 25.098 576 H GLY 74 H GLY 74 5.164 -34.470 24.464 577 HA2 GLY 74 2HA GLY 74 5.613 -33.130 27.045 578 HA3 GLY 74 1HA GLY 74 6.857 -33.679 25.931 579 H THR 75 H THR 75 4.009 -31.681 25.246 580 HA THR 75 HA THR 75 5.771 -29.405 24.583 581 HB THR 75 HB THR 75 4.391 -28.913 22.586 582 HG1 THR 75 HG1 THR 75 2.947 -30.550 21.837 583 HG21 THR 75 3HG2 THR 75 6.465 -30.190 22.296 584 HG22 THR 75 1HG2 THR 75 5.238 -30.700 21.134 585 HG23 THR 75 2HG2 THR 75 5.580 -31.695 22.549 586 H GLN 76 H GLN 76 4.253 -27.405 24.061 587 HA GLN 76 HA GLN 76 2.207 -27.268 26.193 588 HB2 GLN 76 2HB GLN 76 4.315 -25.206 25.507 589 HB3 GLN 76 1HB GLN 76 3.001 -24.954 26.648 590 HG2 GLN 76 2HG GLN 76 3.877 -26.612 28.136 591 HG3 GLN 76 1HG GLN 76 5.080 -27.117 26.951 592 HE21 GLN 76 1HE2 GLN 76 4.154 -24.624 29.193 593 HE22 GLN 76 2HE2 GLN 76 5.681 -23.828 29.250 594 H CYS 77 H CYS 77 0.597 -25.598 25.945 595 HA CYS 77 HA CYS 77 0.374 -24.170 23.418 596 HG CYS 77 HG CYS 77 -3.272 -24.149 23.407 597 HB2 CYS 77 2HB CYS 77 -0.672 -26.292 22.823 598 HB3 CYS 77 1HB CYS 77 -1.694 -26.227 24.255 599 H PHE 78 H PHE 78 -1.396 -22.594 23.437 600 HA PHE 78 HA PHE 78 -1.923 -21.581 26.124 601 HD1 PHE 78 HD2 PHE 78 -0.830 -19.213 26.538 602 HD2 PHE 78 HD1 PHE 78 -0.360 -20.103 22.394 603 HE1 PHE 78 HE2 PHE 78 1.446 -18.279 26.596 604 HE2 PHE 78 HE1 PHE 78 1.918 -19.173 22.451 605 HZ PHE 78 HZ PHE 78 2.822 -18.257 24.553 606 HB2 PHE 78 2HB PHE 78 -2.451 -20.378 23.395 607 HB3 PHE 78 1HB PHE 78 -2.808 -19.579 24.922 608 H TRP 79 H TRP 79 -3.865 -21.595 27.101 609 HA TRP 79 HA TRP 79 -6.196 -22.543 25.565 610 HD1 TRP 79 HD1 TRP 79 -3.633 -24.739 27.007 611 HE1 TRP 79 HE1 TRP 79 -4.061 -27.135 26.160 612 HE3 TRP 79 HE3 TRP 79 -8.746 -24.730 27.082 613 HZ2 TRP 79 HZ2 TRP 79 -6.267 -28.795 25.607 614 HZ3 TRP 79 HZ3 TRP 79 -9.940 -26.764 26.376 615 HH2 TRP 79 HH2 TRP 79 -8.724 -28.755 25.652 616 HB2 TRP 79 2HB TRP 79 -5.371 -23.047 28.412 617 HB3 TRP 79 1HB TRP 79 -7.061 -23.179 27.934 618 H ILE 80 H ILE 80 -7.824 -21.231 25.322 619 HA ILE 80 HA ILE 80 -7.895 -18.620 26.554 620 HB ILE 80 HB ILE 80 -9.937 -19.843 24.688 621 HG12 ILE 80 2HG1 ILE 80 -7.517 -18.208 23.877 622 HG13 ILE 80 1HG1 ILE 80 -7.579 -19.966 23.787 623 HG21 ILE 80 1HG2 ILE 80 -10.406 -17.513 24.081 624 HG22 ILE 80 2HG2 ILE 80 -9.197 -16.963 25.241 625 HG23 ILE 80 3HG2 ILE 80 -10.649 -17.790 25.805 626 HD11 ILE 80 3HD1 ILE 80 -9.377 -18.059 22.301 627 HD12 ILE 80 1HD1 ILE 80 -9.441 -19.820 22.215 628 HD13 ILE 80 2HD1 ILE 80 -8.020 -18.961 21.627 629 H LEU 81 H LEU 81 -8.510 -18.861 28.731 630 HA LEU 81 HA LEU 81 -10.994 -20.211 29.390 631 HG LEU 81 HG LEU 81 -8.838 -20.598 32.409 632 HB2 LEU 81 2HB LEU 81 -9.004 -18.622 30.994 633 HB3 LEU 81 1HB LEU 81 -10.570 -19.031 31.666 634 HD11 LEU 81 1HD1 LEU 81 -10.854 -21.840 30.549 635 HD12 LEU 81 2HD1 LEU 81 -11.109 -21.410 32.241 636 HD13 LEU 81 3HD1 LEU 81 -9.970 -22.688 31.818 637 HD21 LEU 81 3HD2 LEU 81 -7.780 -22.152 30.842 638 HD22 LEU 81 1HD2 LEU 81 -7.337 -20.482 30.492 639 HD23 LEU 81 2HD2 LEU 81 -8.532 -21.305 29.490 640 H ARG 82 H ARG 82 -12.749 -19.278 28.563 641 HA ARG 82 HA ARG 82 -12.953 -16.435 28.139 642 HE ARG 82 HE ARG 82 -16.097 -19.821 26.448 643 HB2 ARG 82 2HB ARG 82 -14.996 -18.641 27.789 644 HB3 ARG 82 1HB ARG 82 -15.195 -16.983 27.237 645 HG2 ARG 82 2HG ARG 82 -14.102 -17.408 25.347 646 HG3 ARG 82 1HG ARG 82 -12.728 -18.084 26.221 647 HD2 ARG 82 2HD ARG 82 -13.794 -19.667 24.619 648 HD3 ARG 82 1HD ARG 82 -13.741 -20.252 26.279 649 HH11 ARG 82 1HH1 ARG 82 -14.824 -19.483 23.280 650 HH12 ARG 82 2HH1 ARG 82 -16.344 -19.776 22.507 651 HH21 ARG 82 1HH2 ARG 82 -18.053 -20.198 25.473 652 HH22 ARG 82 2HH2 ARG 82 -18.158 -20.187 23.744 653 H THR 83 H THR 83 -14.622 -15.049 28.975 654 HA THR 83 HA THR 83 -15.344 -15.354 31.719 655 HB THR 83 HB THR 83 -16.836 -13.412 31.350 656 HG1 THR 83 HG1 THR 83 -17.099 -12.585 29.276 657 HG21 THR 83 3HG2 THR 83 -14.409 -13.036 31.691 658 HG22 THR 83 1HG2 THR 83 -15.142 -11.794 30.675 659 HG23 THR 83 2HG2 THR 83 -14.177 -13.074 29.942 660 H ASP 84 H ASP 84 -16.695 -16.416 28.753 661 HA ASP 84 HA ASP 84 -19.301 -17.125 29.488 662 HB2 ASP 84 2HB ASP 84 -18.643 -17.205 27.194 663 HB3 ASP 84 1HB ASP 84 -17.305 -18.291 27.538 664 H GLY 85 H GLY 85 -16.274 -18.398 30.522 665 HA2 GLY 85 2HA GLY 85 -16.101 -19.852 32.411 666 HA3 GLY 85 1HA GLY 85 -17.655 -20.552 31.981 667 H SER 86 H SER 86 -17.184 -21.033 29.254 668 HA SER 86 HA SER 86 -15.856 -23.534 29.348 669 HG SER 86 HG SER 86 -18.552 -22.306 27.528 670 HB2 SER 86 2HB SER 86 -16.590 -21.905 26.896 671 HB3 SER 86 1HB SER 86 -16.227 -23.628 26.926 672 H GLU 87 H GLU 87 -13.843 -24.188 28.606 673 HA GLU 87 HA GLU 87 -11.905 -22.066 27.992 674 HB2 GLU 87 2HB GLU 87 -10.204 -23.925 28.303 675 HB3 GLU 87 1HB GLU 87 -11.105 -23.454 29.736 676 HG2 GLU 87 2HG GLU 87 -12.522 -25.386 29.547 677 HG3 GLU 87 1HG GLU 87 -11.767 -25.835 28.018 678 H GLU 88 H GLU 88 -10.313 -22.449 26.284 679 HA GLU 88 HA GLU 88 -11.058 -24.272 24.135 680 HB2 GLU 88 2HB GLU 88 -12.465 -22.252 23.775 681 HB3 GLU 88 1HB GLU 88 -11.015 -21.263 23.727 682 HG2 GLU 88 2HG GLU 88 -11.887 -21.691 21.497 683 HG3 GLU 88 1HG GLU 88 -10.283 -22.389 21.702 684 H ARG 89 H ARG 89 -9.412 -24.052 22.266 685 HA ARG 89 HA ARG 89 -6.845 -22.891 23.086 686 HE ARG 89 HE ARG 89 -4.984 -26.684 21.279 687 HB2 ARG 89 2HB ARG 89 -5.641 -24.969 22.473 688 HB3 ARG 89 1HB ARG 89 -6.701 -25.185 23.860 689 HG2 ARG 89 2HG ARG 89 -8.356 -26.286 22.469 690 HG3 ARG 89 1HG ARG 89 -7.372 -25.998 21.032 691 HD2 ARG 89 2HD ARG 89 -6.543 -27.663 23.414 692 HD3 ARG 89 1HD ARG 89 -7.153 -28.303 21.888 693 HH11 ARG 89 1HH1 ARG 89 -5.571 -29.576 23.056 694 HH12 ARG 89 2HH1 ARG 89 -4.005 -30.224 22.724 695 HH21 ARG 89 1HH2 ARG 89 -2.979 -27.538 20.851 696 HH22 ARG 89 2HH2 ARG 89 -2.562 -29.098 21.463 697 H PHE 90 H PHE 90 -5.276 -22.743 21.293 698 HA PHE 90 HA PHE 90 -6.394 -23.073 18.610 699 HD1 PHE 90 HD1 PHE 90 -6.237 -20.373 21.618 700 HD2 PHE 90 HD2 PHE 90 -3.820 -19.539 18.207 701 HE1 PHE 90 HE1 PHE 90 -4.867 -18.838 22.964 702 HE2 PHE 90 HE2 PHE 90 -2.444 -18.007 19.555 703 HZ PHE 90 HZ PHE 90 -2.968 -17.655 21.936 704 HB2 PHE 90 2HB PHE 90 -5.793 -20.777 17.943 705 HB3 PHE 90 1HB PHE 90 -7.014 -20.792 19.206 706 H SER 91 H SER 91 -4.961 -24.020 17.325 707 HA SER 91 HA SER 91 -2.179 -24.251 18.060 708 HG SER 91 HG SER 91 -3.133 -27.260 16.853 709 HB2 SER 91 2HB SER 91 -3.604 -25.184 15.547 710 HB3 SER 91 1HB SER 91 -1.976 -25.647 16.038 711 H TYR 92 H TYR 92 -1.687 -21.956 18.009 712 HA TYR 92 HA TYR 92 -2.107 -20.217 15.909 713 HD1 TYR 92 HD1 TYR 92 -0.669 -21.138 19.726 714 HD2 TYR 92 HD2 TYR 92 2.018 -19.541 16.824 715 HE1 TYR 92 HE1 TYR 92 1.236 -22.012 21.008 716 HE2 TYR 92 HE2 TYR 92 3.923 -20.417 18.103 717 HH TYR 92 HH TYR 92 3.565 -22.649 20.651 718 HB2 TYR 92 2HB TYR 92 -0.305 -18.828 16.876 719 HB3 TYR 92 1HB TYR 92 -1.414 -19.440 18.094 720 H LYS 93 H LYS 93 0.438 -22.631 16.135 721 HA LYS 93 HA LYS 93 2.168 -21.391 14.232 722 HB2 LYS 93 2HB LYS 93 3.509 -23.384 14.337 723 HB3 LYS 93 1HB LYS 93 2.982 -22.966 15.959 724 HG2 LYS 93 2HG LYS 93 1.309 -24.737 15.902 725 HG3 LYS 93 1HG LYS 93 1.750 -25.119 14.234 726 HD2 LYS 93 2HD LYS 93 4.068 -25.614 15.026 727 HD3 LYS 93 1HD LYS 93 3.509 -25.387 16.682 728 HE2 LYS 93 2HE LYS 93 2.377 -27.430 14.766 729 HE3 LYS 93 1HE LYS 93 3.639 -27.772 15.946 730 HZ1 LYS 93 3HZ LYS 93 0.840 -26.968 16.495 731 HZ2 LYS 93 1HZ LYS 93 2.042 -27.039 17.685 732 HZ3 LYS 93 2HZ LYS 93 1.583 -28.440 16.866 733 H LYS 94 H LYS 94 -0.778 -22.830 13.728 734 HA LYS 94 HA LYS 94 -0.075 -23.708 10.997 735 HB2 LYS 94 2HB LYS 94 -2.438 -24.294 12.778 736 HB3 LYS 94 1HB LYS 94 -2.488 -24.612 11.050 737 HG2 LYS 94 2HG LYS 94 -0.454 -25.783 12.943 738 HG3 LYS 94 1HG LYS 94 -1.926 -26.598 12.407 739 HD2 LYS 94 2HD LYS 94 -1.143 -26.394 10.061 740 HD3 LYS 94 1HD LYS 94 0.355 -25.669 10.646 741 HE2 LYS 94 2HE LYS 94 0.882 -27.718 11.865 742 HE3 LYS 94 1HE LYS 94 -0.638 -28.439 11.332 743 HZ1 LYS 94 3HZ LYS 94 0.129 -28.307 9.055 744 HZ2 LYS 94 1HZ LYS 94 1.237 -29.171 9.991 745 HZ3 LYS 94 2HZ LYS 94 1.573 -27.578 9.545 746 H CYS 95 H CYS 95 -0.762 -20.906 12.312 747 HA CYS 95 HA CYS 95 -2.963 -20.095 10.538 748 HG CYS 95 HG CYS 95 -3.244 -17.213 10.518 749 HB2 CYS 95 2HB CYS 95 -3.198 -19.498 12.897 750 HB3 CYS 95 1HB CYS 95 -1.659 -18.647 12.860 751 H VAL 96 H VAL 96 -0.514 -20.615 9.260 752 HA VAL 96 HA VAL 96 0.719 -18.002 8.771 753 HB VAL 96 HB VAL 96 1.567 -20.713 7.718 754 HG11 VAL 96 1HG1 VAL 96 2.354 -18.875 6.318 755 HG12 VAL 96 2HG1 VAL 96 3.697 -19.597 7.204 756 HG13 VAL 96 3HG1 VAL 96 3.016 -18.060 7.735 757 HG21 VAL 96 3HG2 VAL 96 2.611 -19.129 10.071 758 HG22 VAL 96 1HG2 VAL 96 3.333 -20.608 9.434 759 HG23 VAL 96 2HG2 VAL 96 1.720 -20.650 10.147 760 H LEU 97 H LEU 97 0.572 -20.450 6.265 761 HA LEU 97 HA LEU 97 -1.450 -19.218 4.663 762 HG LEU 97 HG LEU 97 0.145 -16.767 5.104 763 HB2 LEU 97 2HB LEU 97 1.441 -18.600 4.081 764 HB3 LEU 97 1HB LEU 97 0.279 -18.694 2.773 765 HD11 LEU 97 1HD1 LEU 97 0.852 -16.305 2.205 766 HD12 LEU 97 2HD1 LEU 97 1.951 -16.206 3.582 767 HD13 LEU 97 3HD1 LEU 97 0.630 -15.049 3.424 768 HD21 LEU 97 3HD2 LEU 97 -1.612 -17.002 2.655 769 HD22 LEU 97 1HD2 LEU 97 -1.692 -15.719 3.864 770 HD23 LEU 97 2HD2 LEU 97 -2.080 -17.379 4.314 771 H GLU 98 H GLU 98 -1.763 -20.325 2.625 772 HA GLU 98 HA GLU 98 -0.345 -22.909 2.404 773 HB2 GLU 98 2HB GLU 98 -2.584 -23.152 3.480 774 HB3 GLU 98 1HB GLU 98 -3.322 -22.476 2.040 775 HG2 GLU 98 2HG GLU 98 -1.678 -24.996 1.993 776 HG3 GLU 98 1HG GLU 98 -3.411 -24.989 2.300 777 H HIS 99 H HIS 99 -2.688 -20.856 0.607 778 HA HIS 99 HA HIS 99 -2.218 -21.914 -1.922 779 HD1 HIS 99 HD1 HIS 99 -5.216 -19.226 0.006 780 HD2 HIS 99 HD2 HIS 99 -4.850 -22.254 -2.815 781 HE1 HIS 99 HE1 HIS 99 -7.394 -20.465 0.066 782 HE2 HIS 99 HE2 HIS 99 -7.209 -22.186 -1.758 783 HB2 HIS 99 2HB HIS 99 -3.068 -19.109 -1.172 784 HB3 HIS 99 1HB HIS 99 -3.132 -19.754 -2.808 785 H HIS 100 H HIS 100 -0.610 -19.112 -0.405 786 HA HIS 100 HA HIS 100 0.954 -18.401 -2.646 787 HD1 HIS 100 HD1 HIS 100 3.625 -16.520 0.621 788 HD2 HIS 100 HD2 HIS 100 2.248 -16.291 -3.295 789 HE1 HIS 100 HE1 HIS 100 5.308 -15.122 -0.605 790 HE2 HIS 100 HE2 HIS 100 4.506 -15.070 -2.985 791 HB2 HIS 100 2HB HIS 100 0.500 -16.924 -0.694 792 HB3 HIS 100 1HB HIS 100 1.589 -17.909 0.275 793 H HIS 101 H HIS 101 1.179 -21.121 -0.717 794 HA HIS 101 HA HIS 101 2.655 -22.760 -0.319 795 HD1 HIS 101 HD1 HIS 101 2.355 -21.426 -4.633 796 HD2 HIS 101 HD2 HIS 101 6.097 -21.530 -2.832 797 HE1 HIS 101 HE1 HIS 101 3.840 -20.023 -6.084 798 HE2 HIS 101 HE2 HIS 101 6.028 -19.933 -4.861 799 HB2 HIS 101 2HB HIS 101 4.045 -23.506 -2.174 800 HB3 HIS 101 1HB HIS 101 2.445 -23.046 -2.731 801 H HIS 102 H HIS 102 4.830 -23.449 0.191 802 HA HIS 102 HA HIS 102 7.015 -21.634 0.249 803 HD1 HIS 102 HD1 HIS 102 6.103 -23.475 4.193 804 HD2 HIS 102 HD2 HIS 102 3.269 -20.925 2.542 805 HE1 HIS 102 HE1 HIS 102 3.950 -24.029 5.354 806 HE2 HIS 102 HE2 HIS 102 2.219 -22.592 4.218 807 HB2 HIS 102 2HB HIS 102 7.104 -21.494 2.819 808 HB3 HIS 102 1HB HIS 102 5.966 -20.439 1.991 809 H HIS 103 H HIS 103 7.783 -23.631 -0.731 810 HA HIS 103 HA HIS 103 9.429 -25.136 0.969 811 HD1 HIS 103 HD1 HIS 103 7.986 -28.201 -1.535 812 HD2 HIS 103 HD2 HIS 103 4.872 -26.058 0.196 813 HE1 HIS 103 HE1 HIS 103 5.973 -28.665 -2.957 814 HE2 HIS 103 HE2 HIS 103 4.071 -27.524 -1.775 815 HB2 HIS 103 2HB HIS 103 8.436 -27.340 0.934 816 HB3 HIS 103 1HB HIS 103 7.251 -26.224 1.603 817 H HIS 104 H HIS 104 10.656 -26.806 -0.198 818 HA HIS 104 HA HIS 104 10.260 -26.778 -3.122 819 HD1 HIS 104 HD1 HIS 104 13.860 -28.610 -1.479 820 HD2 HIS 104 HD2 HIS 104 13.178 -24.678 -0.326 821 HE1 HIS 104 HE1 HIS 104 15.239 -28.270 0.586 822 HE2 HIS 104 HE2 HIS 104 14.701 -25.936 1.345 823 HB2 HIS 104 2HB HIS 104 12.774 -27.068 -3.324 824 HB3 HIS 104 1HB HIS 104 12.226 -25.483 -2.797 Start of MODEL 19 1 HA MET 1 HA MET 1 8.087 4.777 2.975 2 H1 MET 1 1H MET 1 6.512 2.820 4.546 3 H2 MET 1 2H MET 1 5.982 3.567 3.129 4 H3 MET 1 3H MET 1 6.299 4.496 4.502 5 HB2 MET 1 2HB MET 1 8.814 3.000 5.314 6 HB3 MET 1 1HB MET 1 9.981 3.922 4.374 7 HG2 MET 1 2HG MET 1 7.727 5.043 6.029 8 HG3 MET 1 1HG MET 1 9.446 5.086 6.422 9 HE1 MET 1 3HE MET 1 10.846 7.486 3.650 10 HE2 MET 1 1HE MET 1 10.780 5.725 3.622 11 HE3 MET 1 2HE MET 1 11.237 6.566 5.103 12 H ALA 2 H ALA 2 8.052 1.309 3.933 13 HA ALA 2 HA ALA 2 8.922 0.628 1.195 14 HB1 ALA 2 3HB ALA 2 10.537 -0.982 2.057 15 HB2 ALA 2 1HB ALA 2 10.136 -0.520 3.711 16 HB3 ALA 2 2HB ALA 2 10.907 0.643 2.634 17 H LYS 3 H LYS 3 8.628 -1.718 0.682 18 HA LYS 3 HA LYS 3 6.026 -2.605 1.468 19 HB2 LYS 3 2HB LYS 3 7.068 -2.943 -0.803 20 HB3 LYS 3 1HB LYS 3 8.119 -4.153 -0.089 21 HG2 LYS 3 2HG LYS 3 5.121 -4.384 0.052 22 HG3 LYS 3 1HG LYS 3 6.031 -4.946 -1.348 23 HD2 LYS 3 2HD LYS 3 7.315 -6.464 0.087 24 HD3 LYS 3 1HD LYS 3 6.430 -5.887 1.500 25 HE2 LYS 3 2HE LYS 3 5.534 -8.021 0.730 26 HE3 LYS 3 1HE LYS 3 4.339 -6.740 0.542 27 HZ1 LYS 3 3HZ LYS 3 6.061 -7.812 -1.633 28 HZ2 LYS 3 1HZ LYS 3 4.872 -6.621 -1.805 29 HZ3 LYS 3 2HZ LYS 3 4.436 -8.202 -1.392 30 H ALA 4 H ALA 4 5.863 -3.168 3.582 31 HA ALA 4 HA ALA 4 7.105 -5.655 4.419 32 HB1 ALA 4 3HB ALA 4 8.783 -4.012 5.105 33 HB2 ALA 4 1HB ALA 4 8.010 -4.745 6.512 34 HB3 ALA 4 2HB ALA 4 7.557 -3.119 6.002 35 H GLN 5 H GLN 5 5.853 -6.774 5.886 36 HA GLN 5 HA GLN 5 3.361 -5.443 6.752 37 HB2 GLN 5 2HB GLN 5 3.859 -8.376 6.186 38 HB3 GLN 5 1HB GLN 5 2.347 -7.708 6.789 39 HG2 GLN 5 2HG GLN 5 2.148 -6.360 4.729 40 HG3 GLN 5 1HG GLN 5 3.630 -7.102 4.127 41 HE21 GLN 5 1HE2 GLN 5 0.270 -7.599 4.856 42 HE22 GLN 5 2HE2 GLN 5 0.104 -9.095 4.005 43 HA PRO 6 HA PRO 6 5.271 -6.416 10.779 44 HB2 PRO 6 2HB PRO 6 4.302 -3.956 11.834 45 HB3 PRO 6 1HB PRO 6 5.947 -4.322 11.317 46 HG2 PRO 6 2HG PRO 6 4.223 -2.504 10.078 47 HG3 PRO 6 1HG PRO 6 5.691 -3.188 9.361 48 HD2 PRO 6 2HD PRO 6 2.834 -3.992 8.973 49 HD3 PRO 6 1HD PRO 6 4.170 -3.956 7.799 50 H ILE 7 H ILE 7 4.060 -7.911 11.811 51 HA ILE 7 HA ILE 7 1.237 -7.626 12.255 52 HB ILE 7 HB ILE 7 3.195 -9.643 13.400 53 HG12 ILE 7 2HG1 ILE 7 1.970 -11.200 11.774 54 HG13 ILE 7 1HG1 ILE 7 1.294 -9.752 11.040 55 HG21 ILE 7 1HG2 ILE 7 1.269 -9.420 14.859 56 HG22 ILE 7 2HG2 ILE 7 1.201 -10.960 14.002 57 HG23 ILE 7 3HG2 ILE 7 0.175 -9.620 13.489 58 HD11 ILE 7 3HD1 ILE 7 3.212 -10.609 9.807 59 HD12 ILE 7 1HD1 ILE 7 4.225 -10.412 11.236 60 HD13 ILE 7 2HD1 ILE 7 3.525 -8.997 10.447 61 H GLU 8 H GLU 8 0.771 -5.885 13.522 62 HA GLU 8 HA GLU 8 2.270 -5.429 15.998 63 HB2 GLU 8 2HB GLU 8 1.931 -3.560 14.410 64 HB3 GLU 8 1HB GLU 8 0.193 -3.704 14.626 65 HG2 GLU 8 2HG GLU 8 0.439 -3.114 16.990 66 HG3 GLU 8 1HG GLU 8 2.184 -2.974 16.773 67 H ILE 9 H ILE 9 1.499 -6.740 17.585 68 HA ILE 9 HA ILE 9 -1.425 -6.871 18.003 69 HB ILE 9 HB ILE 9 0.701 -8.829 18.901 70 HG12 ILE 9 2HG1 ILE 9 -1.411 -9.066 16.734 71 HG13 ILE 9 1HG1 ILE 9 0.321 -8.892 16.469 72 HG21 ILE 9 1HG2 ILE 9 -1.188 -10.260 19.566 73 HG22 ILE 9 2HG2 ILE 9 -2.306 -8.956 19.168 74 HG23 ILE 9 3HG2 ILE 9 -1.144 -8.753 20.479 75 HD11 ILE 9 3HD1 ILE 9 -0.349 -11.180 16.156 76 HD12 ILE 9 1HD1 ILE 9 -1.064 -11.227 17.767 77 HD13 ILE 9 2HD1 ILE 9 0.682 -11.054 17.581 78 H ALA 10 H ALA 10 -2.113 -5.600 19.598 79 HA ALA 10 HA ALA 10 -2.345 -4.579 21.615 80 HB1 ALA 10 3HB ALA 10 -2.374 -6.866 22.436 81 HB2 ALA 10 1HB ALA 10 -1.571 -5.809 23.596 82 HB3 ALA 10 2HB ALA 10 -0.615 -6.869 22.560 83 H GLY 11 H GLY 11 -0.159 -3.665 19.915 84 HA2 GLY 11 2HA GLY 11 1.218 -1.765 20.349 85 HA3 GLY 11 1HA GLY 11 1.458 -2.335 21.991 86 H HIS 12 H HIS 12 1.945 -5.105 20.636 87 HA HIS 12 HA HIS 12 4.822 -4.731 20.347 88 HD1 HIS 12 HD1 HIS 12 6.188 -7.006 22.374 89 HD2 HIS 12 HD2 HIS 12 2.114 -6.407 22.914 90 HE1 HIS 12 HE1 HIS 12 5.835 -6.996 24.853 91 HE2 HIS 12 HE2 HIS 12 3.349 -6.802 25.152 92 HB2 HIS 12 2HB HIS 12 3.125 -7.239 20.350 93 HB3 HIS 12 1HB HIS 12 4.881 -7.224 20.232 94 H GLU 13 H GLU 13 5.423 -3.980 18.392 95 HA GLU 13 HA GLU 13 4.031 -4.845 15.976 96 HB2 GLU 13 2HB GLU 13 5.589 -3.134 14.879 97 HB3 GLU 13 1HB GLU 13 4.372 -2.520 15.992 98 HG2 GLU 13 2HG GLU 13 5.984 -2.176 17.706 99 HG3 GLU 13 1HG GLU 13 7.216 -3.066 16.813 100 H PHE 14 H PHE 14 4.686 -6.890 15.462 101 HA PHE 14 HA PHE 14 7.534 -7.532 15.305 102 HD1 PHE 14 HD1 PHE 14 7.894 -9.544 17.086 103 HD2 PHE 14 HD2 PHE 14 3.698 -9.172 16.447 104 HE1 PHE 14 HE1 PHE 14 7.494 -9.918 19.486 105 HE2 PHE 14 HE2 PHE 14 3.294 -9.554 18.842 106 HZ PHE 14 HZ PHE 14 5.193 -9.925 20.365 107 HB2 PHE 14 2HB PHE 14 5.142 -9.261 14.610 108 HB3 PHE 14 1HB PHE 14 6.809 -9.801 14.805 109 H ALA 15 H ALA 15 8.636 -6.991 13.517 110 HA ALA 15 HA ALA 15 7.375 -6.210 11.084 111 HB1 ALA 15 3HB ALA 15 9.635 -5.910 10.223 112 HB2 ALA 15 1HB ALA 15 10.292 -6.786 11.607 113 HB3 ALA 15 2HB ALA 15 9.486 -5.235 11.846 114 H ARG 16 H ARG 16 7.534 -9.242 12.182 115 HA ARG 16 HA ARG 16 7.240 -10.443 9.605 116 HE ARG 16 HE ARG 16 10.165 -14.605 8.434 117 HB2 ARG 16 2HB ARG 16 9.715 -10.283 9.775 118 HB3 ARG 16 1HB ARG 16 9.659 -11.245 11.246 119 HG2 ARG 16 2HG ARG 16 8.777 -13.140 9.994 120 HG3 ARG 16 1HG ARG 16 8.774 -12.174 8.515 121 HD2 ARG 16 2HD ARG 16 11.224 -11.891 8.748 122 HD3 ARG 16 1HD ARG 16 11.187 -12.958 10.152 123 HH11 ARG 16 1HH1 ARG 16 12.648 -12.294 7.808 124 HH12 ARG 16 2HH1 ARG 16 13.343 -13.231 6.530 125 HH21 ARG 16 1HH2 ARG 16 11.077 -15.792 6.796 126 HH22 ARG 16 2HH2 ARG 16 12.468 -15.177 5.966 127 H LYS 17 H LYS 17 6.185 -12.418 9.714 128 HA LYS 17 HA LYS 17 4.739 -13.117 11.994 129 HB2 LYS 17 2HB LYS 17 4.013 -13.839 9.803 130 HB3 LYS 17 1HB LYS 17 5.478 -14.782 9.573 131 HG2 LYS 17 2HG LYS 17 3.684 -16.285 10.070 132 HG3 LYS 17 1HG LYS 17 4.773 -16.250 11.456 133 HD2 LYS 17 2HD LYS 17 3.222 -14.629 12.560 134 HD3 LYS 17 1HD LYS 17 2.110 -14.833 11.202 135 HE2 LYS 17 2HE LYS 17 2.041 -17.273 11.702 136 HE3 LYS 17 1HE LYS 17 3.029 -16.973 13.127 137 HZ1 LYS 17 3HZ LYS 17 0.777 -17.077 13.808 138 HZ2 LYS 17 1HZ LYS 17 0.281 -15.991 12.602 139 HZ3 LYS 17 2HZ LYS 17 1.236 -15.449 13.889 140 H ALA 18 H ALA 18 7.747 -14.536 10.732 141 HA ALA 18 HA ALA 18 8.123 -16.547 12.634 142 HB1 ALA 18 3HB ALA 18 10.271 -14.934 11.252 143 HB2 ALA 18 1HB ALA 18 9.437 -16.325 10.561 144 HB3 ALA 18 2HB ALA 18 10.460 -16.527 11.983 145 H ASP 19 H ASP 19 8.935 -13.108 12.799 146 HA ASP 19 HA ASP 19 10.405 -13.200 15.219 147 HB2 ASP 19 2HB ASP 19 10.377 -11.290 13.564 148 HB3 ASP 19 1HB ASP 19 8.777 -10.869 14.160 149 H ALA 20 H ALA 20 6.975 -12.583 14.513 150 HA ALA 20 HA ALA 20 6.048 -12.233 17.131 151 HB1 ALA 20 3HB ALA 20 4.578 -13.522 14.827 152 HB2 ALA 20 1HB ALA 20 4.702 -11.785 15.114 153 HB3 ALA 20 2HB ALA 20 3.851 -12.812 16.270 154 H LEU 21 H LEU 21 6.376 -15.215 15.214 155 HA LEU 21 HA LEU 21 5.360 -17.026 17.093 156 HG LEU 21 HG LEU 21 5.363 -16.808 13.963 157 HB2 LEU 21 2HB LEU 21 7.493 -17.450 14.992 158 HB3 LEU 21 1HB LEU 21 6.694 -18.740 15.873 159 HD11 LEU 21 1HD1 LEU 21 6.725 -18.452 12.805 160 HD12 LEU 21 2HD1 LEU 21 5.013 -18.796 12.566 161 HD13 LEU 21 3HD1 LEU 21 5.954 -19.760 13.705 162 HD21 LEU 21 3HD2 LEU 21 3.839 -17.373 15.749 163 HD22 LEU 21 1HD2 LEU 21 4.209 -19.089 15.569 164 HD23 LEU 21 2HD2 LEU 21 3.364 -18.228 14.282 165 H ALA 22 H ALA 22 8.702 -15.910 16.589 166 HA ALA 22 HA ALA 22 9.966 -17.432 18.557 167 HB1 ALA 22 3HB ALA 22 11.207 -16.134 16.926 168 HB2 ALA 22 1HB ALA 22 11.695 -15.682 18.559 169 HB3 ALA 22 2HB ALA 22 10.616 -14.633 17.639 170 H PHE 23 H PHE 23 8.667 -14.108 18.857 171 HA PHE 23 HA PHE 23 9.109 -13.710 21.569 172 HD1 PHE 23 HD1 PHE 23 8.906 -10.913 22.305 173 HD2 PHE 23 HD2 PHE 23 5.044 -12.495 21.436 174 HE1 PHE 23 HE1 PHE 23 7.969 -9.678 24.216 175 HE2 PHE 23 HE2 PHE 23 4.106 -11.259 23.345 176 HZ PHE 23 HZ PHE 23 5.567 -9.848 24.737 177 HB2 PHE 23 2HB PHE 23 8.364 -11.924 20.096 178 HB3 PHE 23 1HB PHE 23 6.816 -12.724 19.853 179 H MET 24 H MET 24 6.175 -15.054 20.036 180 HA MET 24 HA MET 24 4.705 -15.584 22.352 181 HB2 MET 24 2HB MET 24 4.751 -17.100 19.731 182 HB3 MET 24 1HB MET 24 3.526 -17.302 20.975 183 HG2 MET 24 2HG MET 24 2.811 -15.005 20.690 184 HG3 MET 24 1HG MET 24 4.090 -14.735 19.505 185 HE1 MET 24 3HE MET 24 0.892 -14.683 17.265 186 HE2 MET 24 1HE MET 24 2.327 -13.803 17.789 187 HE3 MET 24 2HE MET 24 1.000 -14.080 18.919 188 H LYS 25 H LYS 25 7.006 -17.666 20.620 189 HA LYS 25 HA LYS 25 6.750 -19.932 22.273 190 HB2 LYS 25 2HB LYS 25 7.819 -19.744 19.954 191 HB3 LYS 25 1HB LYS 25 9.256 -19.146 20.766 192 HG2 LYS 25 2HG LYS 25 8.053 -21.771 21.574 193 HG3 LYS 25 1HG LYS 25 9.061 -21.664 20.134 194 HD2 LYS 25 2HD LYS 25 9.920 -20.804 22.903 195 HD3 LYS 25 1HD LYS 25 10.306 -22.361 22.168 196 HE2 LYS 25 2HE LYS 25 11.455 -21.148 20.325 197 HE3 LYS 25 1HE LYS 25 11.145 -19.634 21.173 198 HZ1 LYS 25 3HZ LYS 25 13.363 -20.439 21.627 199 HZ2 LYS 25 1HZ LYS 25 12.752 -21.904 22.208 200 HZ3 LYS 25 2HZ LYS 25 12.438 -20.470 23.039 201 H VAL 26 H VAL 26 8.919 -17.120 22.469 202 HA VAL 26 HA VAL 26 10.570 -17.997 24.560 203 HB VAL 26 HB VAL 26 9.709 -15.180 23.848 204 HG11 VAL 26 1HG1 VAL 26 10.452 -15.231 26.173 205 HG12 VAL 26 2HG1 VAL 26 11.639 -14.409 25.162 206 HG13 VAL 26 3HG1 VAL 26 11.931 -16.064 25.699 207 HG21 VAL 26 3HG2 VAL 26 10.958 -16.347 22.089 208 HG22 VAL 26 1HG2 VAL 26 12.250 -16.703 23.234 209 HG23 VAL 26 2HG2 VAL 26 11.907 -15.033 22.780 210 H MET 27 H MET 27 7.623 -15.937 24.803 211 HA MET 27 HA MET 27 7.603 -16.032 27.655 212 HB2 MET 27 2HB MET 27 5.458 -14.922 27.547 213 HB3 MET 27 1HB MET 27 6.559 -14.188 26.395 214 HG2 MET 27 2HG MET 27 5.472 -15.375 24.569 215 HG3 MET 27 1HG MET 27 4.383 -16.160 25.718 216 HE1 MET 27 3HE MET 27 3.165 -14.647 23.262 217 HE2 MET 27 1HE MET 27 1.902 -13.684 24.029 218 HE3 MET 27 2HE MET 27 2.180 -15.348 24.547 219 H LEU 28 H LEU 28 6.237 -18.069 25.177 220 HA LEU 28 HA LEU 28 4.412 -19.569 26.703 221 HG LEU 28 HG LEU 28 5.023 -22.385 25.490 222 HB2 LEU 28 2HB LEU 28 4.586 -19.662 24.247 223 HB3 LEU 28 1HB LEU 28 6.148 -20.441 24.382 224 HD11 LEU 28 1HD1 LEU 28 2.613 -22.601 25.370 225 HD12 LEU 28 2HD1 LEU 28 2.476 -21.001 24.642 226 HD13 LEU 28 3HD1 LEU 28 3.036 -21.168 26.306 227 HD21 LEU 28 3HD2 LEU 28 4.009 -21.666 22.735 228 HD22 LEU 28 1HD2 LEU 28 4.080 -23.289 23.425 229 HD23 LEU 28 2HD2 LEU 28 5.570 -22.401 23.103 230 H ASN 29 H ASN 29 7.894 -19.969 26.168 231 HA ASN 29 HA ASN 29 8.074 -22.215 27.999 232 HB2 ASN 29 2HB ASN 29 10.091 -20.696 26.349 233 HB3 ASN 29 1HB ASN 29 10.589 -21.893 27.538 234 HD21 ASN 29 1HD2 ASN 29 8.826 -21.399 24.573 235 HD22 ASN 29 2HD2 ASN 29 8.855 -23.043 24.058 236 H ARG 30 H ARG 30 8.027 -18.851 28.343 237 HA ARG 30 HA ARG 30 9.623 -18.669 30.721 238 HE ARG 30 HE ARG 30 8.746 -15.691 33.922 239 HB2 ARG 30 2HB ARG 30 9.192 -16.643 29.476 240 HB3 ARG 30 1HB ARG 30 7.454 -16.874 29.605 241 HG2 ARG 30 2HG ARG 30 8.163 -15.141 31.132 242 HG3 ARG 30 1HG ARG 30 7.608 -16.543 32.047 243 HD2 ARG 30 2HD ARG 30 10.043 -17.238 32.203 244 HD3 ARG 30 1HD ARG 30 10.445 -15.643 31.564 245 HH11 ARG 30 1HH1 ARG 30 11.913 -15.290 32.633 246 HH12 ARG 30 2HH1 ARG 30 12.550 -14.658 34.109 247 HH21 ARG 30 1HH2 ARG 30 9.560 -14.851 35.794 248 HH22 ARG 30 2HH2 ARG 30 11.221 -14.378 35.871 249 H TYR 31 H TYR 31 6.104 -18.828 30.124 250 HA TYR 31 HA TYR 31 5.444 -19.290 32.869 251 HD1 TYR 31 HD1 TYR 31 3.332 -18.029 33.620 252 HD2 TYR 31 HD2 TYR 31 3.553 -17.568 29.390 253 HE1 TYR 31 HE1 TYR 31 2.581 -15.700 33.839 254 HE2 TYR 31 HE2 TYR 31 2.809 -15.233 29.604 255 HH TYR 31 HH TYR 31 2.811 -13.545 32.448 256 HB2 TYR 31 2HB TYR 31 3.881 -19.688 30.313 257 HB3 TYR 31 1HB TYR 31 3.213 -20.028 31.903 258 H ARG 32 H ARG 32 5.075 -21.175 33.938 259 HA ARG 32 HA ARG 32 6.152 -23.615 32.783 260 HE ARG 32 HE ARG 32 6.639 -24.560 37.684 261 HB2 ARG 32 2HB ARG 32 5.107 -22.982 35.559 262 HB3 ARG 32 1HB ARG 32 5.868 -24.499 35.094 263 HG2 ARG 32 2HG ARG 32 7.957 -23.377 34.645 264 HG3 ARG 32 1HG ARG 32 7.217 -21.802 34.931 265 HD2 ARG 32 2HD ARG 32 8.575 -22.607 36.842 266 HD3 ARG 32 1HD ARG 32 6.886 -22.325 37.261 267 HH11 ARG 32 1HH1 ARG 32 9.587 -24.087 35.970 268 HH12 ARG 32 2HH1 ARG 32 10.144 -25.695 36.256 269 HH21 ARG 32 1HH2 ARG 32 7.358 -26.615 38.053 270 HH22 ARG 32 2HH2 ARG 32 8.895 -27.115 37.439 271 HA PRO 33 HA PRO 33 2.520 -25.762 31.549 272 HB2 PRO 33 2HB PRO 33 3.142 -27.883 33.566 273 HB3 PRO 33 1HB PRO 33 2.804 -28.037 31.836 274 HG2 PRO 33 2HG PRO 33 5.294 -28.228 32.705 275 HG3 PRO 33 1HG PRO 33 4.941 -27.310 31.228 276 HD2 PRO 33 2HD PRO 33 5.544 -26.301 33.986 277 HD3 PRO 33 1HD PRO 33 6.070 -25.664 32.414 278 H GLY 34 H GLY 34 2.654 -24.635 34.742 279 HA2 GLY 34 2HA GLY 34 -0.251 -25.132 35.032 280 HA3 GLY 34 1HA GLY 34 0.840 -25.294 36.399 281 H ASP 35 H ASP 35 1.564 -22.748 34.192 282 HA ASP 35 HA ASP 35 0.719 -20.803 36.225 283 HB2 ASP 35 2HB ASP 35 2.747 -20.649 33.993 284 HB3 ASP 35 1HB ASP 35 2.229 -19.230 34.899 285 H ILE 36 H ILE 36 -0.910 -19.465 35.904 286 HA ILE 36 HA ILE 36 -2.290 -19.308 33.372 287 HB ILE 36 HB ILE 36 -2.749 -17.801 35.962 288 HG12 ILE 36 2HG1 ILE 36 -3.109 -20.219 36.185 289 HG13 ILE 36 1HG1 ILE 36 -4.638 -19.351 36.278 290 HG21 ILE 36 1HG2 ILE 36 -3.630 -16.549 34.063 291 HG22 ILE 36 2HG2 ILE 36 -4.941 -17.204 35.042 292 HG23 ILE 36 3HG2 ILE 36 -4.514 -17.974 33.514 293 HD11 ILE 36 3HD1 ILE 36 -4.820 -21.395 34.964 294 HD12 ILE 36 1HD1 ILE 36 -3.589 -20.799 33.853 295 HD13 ILE 36 2HD1 ILE 36 -5.140 -19.966 33.980 296 H VAL 37 H VAL 37 -2.164 -17.706 31.892 297 HA VAL 37 HA VAL 37 0.056 -15.953 31.851 298 HB VAL 37 HB VAL 37 -2.417 -15.933 30.102 299 HG11 VAL 37 1HG1 VAL 37 -0.996 -14.784 28.457 300 HG12 VAL 37 2HG1 VAL 37 0.306 -14.714 29.646 301 HG13 VAL 37 3HG1 VAL 37 -1.196 -13.837 29.933 302 HG21 VAL 37 3HG2 VAL 37 -1.321 -18.093 30.030 303 HG22 VAL 37 1HG2 VAL 37 0.243 -17.329 29.741 304 HG23 VAL 37 2HG2 VAL 37 -1.027 -17.233 28.519 305 H SER 38 H SER 38 0.266 -13.810 32.297 306 HA SER 38 HA SER 38 -1.511 -12.592 34.133 307 HG SER 38 HG SER 38 -0.165 -10.421 35.029 308 HB2 SER 38 2HB SER 38 0.886 -12.074 34.108 309 HB3 SER 38 1HB SER 38 0.720 -11.326 32.519 310 H THR 39 H THR 39 -2.255 -10.212 33.772 311 HA THR 39 HA THR 39 -4.325 -10.303 31.827 312 HB THR 39 HB THR 39 -3.369 -7.911 33.427 313 HG1 THR 39 HG1 THR 39 -5.607 -9.550 34.033 314 HG21 THR 39 3HG2 THR 39 -6.011 -8.432 32.043 315 HG22 THR 39 1HG2 THR 39 -4.792 -7.258 31.539 316 HG23 THR 39 2HG2 THR 39 -5.646 -7.042 33.068 317 H VAL 40 H VAL 40 -1.198 -8.644 31.912 318 HA VAL 40 HA VAL 40 -1.587 -7.072 29.573 319 HB VAL 40 HB VAL 40 1.025 -8.039 30.773 320 HG11 VAL 40 1HG1 VAL 40 0.466 -5.758 28.864 321 HG12 VAL 40 2HG1 VAL 40 1.328 -7.249 28.488 322 HG13 VAL 40 3HG1 VAL 40 2.022 -6.094 29.625 323 HG21 VAL 40 3HG2 VAL 40 -0.483 -5.461 31.247 324 HG22 VAL 40 1HG2 VAL 40 1.088 -5.884 31.927 325 HG23 VAL 40 2HG2 VAL 40 -0.348 -6.801 32.388 326 H ASP 41 H ASP 41 0.475 -9.976 30.002 327 HA ASP 41 HA ASP 41 0.900 -10.533 27.296 328 HB2 ASP 41 2HB ASP 41 0.697 -12.574 29.525 329 HB3 ASP 41 1HB ASP 41 1.621 -12.716 28.031 330 H GLY 42 H GLY 42 -1.743 -11.495 29.436 331 HA2 GLY 42 2HA GLY 42 -3.117 -13.238 27.713 332 HA3 GLY 42 1HA GLY 42 -3.850 -12.296 29.004 333 H ALA 43 H ALA 43 -3.556 -9.724 28.191 334 HA ALA 43 HA ALA 43 -5.557 -9.278 26.304 335 HB1 ALA 43 3HB ALA 43 -3.289 -7.429 27.058 336 HB2 ALA 43 1HB ALA 43 -4.826 -7.580 27.908 337 HB3 ALA 43 2HB ALA 43 -4.787 -6.950 26.261 338 H PHE 44 H PHE 44 -2.039 -9.362 25.869 339 HA PHE 44 HA PHE 44 -1.828 -8.799 23.158 340 HD1 PHE 44 HD2 PHE 44 1.071 -8.368 22.422 341 HD2 PHE 44 HD1 PHE 44 0.233 -12.469 23.226 342 HE1 PHE 44 HE2 PHE 44 2.468 -9.029 20.506 343 HE2 PHE 44 HE1 PHE 44 1.634 -13.134 21.316 344 HZ PHE 44 HZ PHE 44 2.750 -11.414 19.950 345 HB2 PHE 44 2HB PHE 44 0.129 -9.073 24.564 346 HB3 PHE 44 1HB PHE 44 -0.266 -10.758 24.863 347 H LEU 45 H LEU 45 -2.397 -11.952 24.709 348 HA LEU 45 HA LEU 45 -2.685 -13.436 22.322 349 HG LEU 45 HG LEU 45 -1.234 -13.924 24.920 350 HB2 LEU 45 2HB LEU 45 -3.731 -13.960 25.106 351 HB3 LEU 45 1HB LEU 45 -3.772 -15.134 23.802 352 HD11 LEU 45 1HD1 LEU 45 -2.448 -16.635 25.452 353 HD12 LEU 45 2HD1 LEU 45 -2.353 -15.300 26.602 354 HD13 LEU 45 3HD1 LEU 45 -0.877 -16.068 26.020 355 HD21 LEU 45 3HD2 LEU 45 -1.698 -16.224 23.017 356 HD22 LEU 45 1HD2 LEU 45 -0.135 -15.737 23.679 357 HD23 LEU 45 2HD2 LEU 45 -1.017 -14.647 22.610 358 H VAL 46 H VAL 46 -5.032 -11.645 24.281 359 HA VAL 46 HA VAL 46 -7.381 -12.561 23.011 360 HB VAL 46 HB VAL 46 -6.902 -9.836 24.262 361 HG11 VAL 46 1HG1 VAL 46 -9.474 -11.304 23.648 362 HG12 VAL 46 2HG1 VAL 46 -8.890 -9.831 22.872 363 HG13 VAL 46 3HG1 VAL 46 -9.353 -9.805 24.573 364 HG21 VAL 46 3HG2 VAL 46 -7.920 -10.803 26.282 365 HG22 VAL 46 1HG2 VAL 46 -6.429 -11.635 25.842 366 HG23 VAL 46 2HG2 VAL 46 -7.989 -12.377 25.490 367 H GLU 47 H GLU 47 -5.273 -9.764 22.283 368 HA GLU 47 HA GLU 47 -6.692 -8.935 19.963 369 HB2 GLU 47 2HB GLU 47 -3.818 -8.506 20.814 370 HB3 GLU 47 1HB GLU 47 -4.508 -7.788 19.364 371 HG2 GLU 47 2HG GLU 47 -5.425 -7.318 22.197 372 HG3 GLU 47 1HG GLU 47 -4.507 -6.197 21.190 373 H ALA 48 H ALA 48 -3.923 -11.104 20.437 374 HA ALA 48 HA ALA 48 -3.479 -11.743 17.727 375 HB1 ALA 48 3HB ALA 48 -2.266 -13.691 18.565 376 HB2 ALA 48 1HB ALA 48 -2.969 -13.457 20.166 377 HB3 ALA 48 2HB ALA 48 -1.868 -12.250 19.501 378 H LEU 49 H LEU 49 -5.882 -12.813 19.997 379 HA LEU 49 HA LEU 49 -6.769 -15.082 18.461 380 HG LEU 49 HG LEU 49 -9.787 -14.928 19.589 381 HB2 LEU 49 2HB LEU 49 -7.054 -14.994 20.891 382 HB3 LEU 49 1HB LEU 49 -8.087 -13.585 20.732 383 HD11 LEU 49 1HD1 LEU 49 -8.332 -16.536 18.466 384 HD12 LEU 49 2HD1 LEU 49 -9.571 -17.357 19.412 385 HD13 LEU 49 3HD1 LEU 49 -7.917 -17.263 20.019 386 HD21 LEU 49 3HD2 LEU 49 -10.460 -16.324 21.488 387 HD22 LEU 49 1HD2 LEU 49 -9.869 -14.753 22.024 388 HD23 LEU 49 2HD2 LEU 49 -8.842 -16.179 22.176 389 H LYS 50 H LYS 50 -7.774 -11.696 18.797 390 HA LYS 50 HA LYS 50 -10.174 -11.827 17.339 391 HB2 LYS 50 2HB LYS 50 -8.219 -9.548 17.677 392 HB3 LYS 50 1HB LYS 50 -9.778 -9.378 16.883 393 HG2 LYS 50 2HG LYS 50 -10.855 -10.159 19.008 394 HG3 LYS 50 1HG LYS 50 -9.263 -10.076 19.769 395 HD2 LYS 50 2HD LYS 50 -9.127 -7.683 19.191 396 HD3 LYS 50 1HD LYS 50 -10.728 -7.776 18.456 397 HE2 LYS 50 2HE LYS 50 -10.907 -6.828 20.670 398 HE3 LYS 50 1HE LYS 50 -11.661 -8.423 20.652 399 HZ1 LYS 50 3HZ LYS 50 -8.968 -7.761 21.704 400 HZ2 LYS 50 1HZ LYS 50 -9.614 -9.320 21.617 401 HZ3 LYS 50 2HZ LYS 50 -10.335 -8.167 22.615 402 H ARG 51 H ARG 51 -6.909 -12.005 16.224 403 HA ARG 51 HA ARG 51 -7.531 -11.237 13.493 404 HE ARG 51 HE ARG 51 -3.344 -8.487 15.710 405 HB2 ARG 51 2HB ARG 51 -5.018 -12.444 14.679 406 HB3 ARG 51 1HB ARG 51 -5.172 -11.827 13.038 407 HG2 ARG 51 2HG ARG 51 -5.704 -9.585 14.002 408 HG3 ARG 51 1HG ARG 51 -5.349 -10.245 15.600 409 HD2 ARG 51 2HD ARG 51 -3.069 -10.761 14.893 410 HD3 ARG 51 1HD ARG 51 -3.419 -10.153 13.276 411 HH11 ARG 51 1HH1 ARG 51 -2.988 -8.856 12.308 412 HH12 ARG 51 2HH1 ARG 51 -2.376 -7.258 12.082 413 HH21 ARG 51 1HH2 ARG 51 -2.546 -6.442 15.421 414 HH22 ARG 51 2HH2 ARG 51 -2.158 -5.892 13.827 415 H HIS 52 H HIS 52 -8.929 -13.576 14.709 416 HA HIS 52 HA HIS 52 -8.185 -15.619 12.700 417 HD1 HIS 52 HD1 HIS 52 -7.035 -18.623 14.894 418 HD2 HIS 52 HD2 HIS 52 -6.650 -14.612 15.890 419 HE1 HIS 52 HE1 HIS 52 -4.786 -18.415 15.989 420 HE2 HIS 52 HE2 HIS 52 -4.640 -16.006 16.706 421 HB2 HIS 52 2HB HIS 52 -9.337 -16.087 15.467 422 HB3 HIS 52 1HB HIS 52 -9.036 -17.339 14.269 423 HA PRO 53 HA PRO 53 -12.498 -15.326 11.350 424 HB2 PRO 53 2HB PRO 53 -12.731 -17.860 10.300 425 HB3 PRO 53 1HB PRO 53 -11.985 -16.507 9.443 426 HG2 PRO 53 2HG PRO 53 -10.683 -18.724 10.984 427 HG3 PRO 53 1HG PRO 53 -10.213 -18.017 9.425 428 HD2 PRO 53 2HD PRO 53 -8.951 -17.358 11.713 429 HD3 PRO 53 1HD PRO 53 -9.214 -16.170 10.419 430 H ASP 54 H ASP 54 -11.143 -17.616 13.519 431 HA ASP 54 HA ASP 54 -13.735 -18.569 14.500 432 HB2 ASP 54 2HB ASP 54 -10.965 -19.349 15.445 433 HB3 ASP 54 1HB ASP 54 -12.474 -20.215 15.717 434 H ALA 55 H ALA 55 -12.333 -15.788 14.951 435 HA ALA 55 HA ALA 55 -11.316 -15.514 17.493 436 HB1 ALA 55 3HB ALA 55 -11.255 -13.744 15.809 437 HB2 ALA 55 1HB ALA 55 -11.876 -13.150 17.350 438 HB3 ALA 55 2HB ALA 55 -12.987 -13.479 16.019 439 H THR 56 H THR 56 -14.607 -14.254 16.849 440 HA THR 56 HA THR 56 -15.265 -14.208 19.599 441 HB THR 56 HB THR 56 -16.376 -12.727 17.982 442 HG1 THR 56 HG1 THR 56 -18.428 -12.903 18.923 443 HG21 THR 56 3HG2 THR 56 -16.628 -14.290 16.112 444 HG22 THR 56 1HG2 THR 56 -18.182 -13.580 16.553 445 HG23 THR 56 2HG2 THR 56 -17.796 -15.228 17.044 446 H SER 57 H SER 57 -15.552 -16.704 17.209 447 HA SER 57 HA SER 57 -17.467 -18.352 18.474 448 HG SER 57 HG SER 57 -16.073 -21.060 16.489 449 HB2 SER 57 2HB SER 57 -16.785 -18.747 16.169 450 HB3 SER 57 1HB SER 57 -15.138 -19.103 16.685 451 H LYS 58 H LYS 58 -13.899 -18.416 18.651 452 HA LYS 58 HA LYS 58 -13.825 -20.452 20.653 453 HB2 LYS 58 2HB LYS 58 -11.679 -18.473 19.850 454 HB3 LYS 58 1HB LYS 58 -11.431 -19.919 20.822 455 HG2 LYS 58 2HG LYS 58 -12.266 -19.801 17.925 456 HG3 LYS 58 1HG LYS 58 -10.719 -20.352 18.569 457 HD2 LYS 58 2HD LYS 58 -11.873 -22.208 19.712 458 HD3 LYS 58 1HD LYS 58 -13.408 -21.663 19.031 459 HE2 LYS 58 2HE LYS 58 -12.533 -23.503 17.722 460 HE3 LYS 58 1HE LYS 58 -12.503 -22.023 16.765 461 HZ1 LYS 58 3HZ LYS 58 -10.133 -21.805 17.334 462 HZ2 LYS 58 1HZ LYS 58 -10.462 -23.220 16.471 463 HZ3 LYS 58 2HZ LYS 58 -10.196 -23.289 18.137 464 H ILE 59 H ILE 59 -13.823 -16.932 20.715 465 HA ILE 59 HA ILE 59 -13.358 -16.556 23.475 466 HB ILE 59 HB ILE 59 -14.987 -14.883 21.545 467 HG12 ILE 59 2HG1 ILE 59 -12.135 -14.526 22.519 468 HG13 ILE 59 1HG1 ILE 59 -12.581 -15.199 20.955 469 HG21 ILE 59 1HG2 ILE 59 -14.716 -13.037 23.141 470 HG22 ILE 59 2HG2 ILE 59 -13.926 -14.133 24.275 471 HG23 ILE 59 3HG2 ILE 59 -15.621 -14.376 23.849 472 HD11 ILE 59 3HD1 ILE 59 -11.918 -12.882 20.750 473 HD12 ILE 59 1HD1 ILE 59 -13.158 -12.402 21.908 474 HD13 ILE 59 2HD1 ILE 59 -13.624 -13.075 20.345 475 H GLY 60 H GLY 60 -16.335 -17.173 21.642 476 HA2 GLY 60 2HA GLY 60 -18.441 -17.816 22.301 477 HA3 GLY 60 1HA GLY 60 -17.706 -18.369 23.799 478 HA PRO 61 HA PRO 61 -20.191 -14.997 25.559 479 HB2 PRO 61 2HB PRO 61 -19.440 -15.470 28.157 480 HB3 PRO 61 1HB PRO 61 -20.723 -16.365 27.335 481 HG2 PRO 61 2HG PRO 61 -17.857 -17.137 27.768 482 HG3 PRO 61 1HG PRO 61 -19.320 -18.124 27.946 483 HD2 PRO 61 2HD PRO 61 -17.751 -18.292 25.758 484 HD3 PRO 61 1HD PRO 61 -19.518 -18.469 25.655 485 H GLY 62 H GLY 62 -16.869 -15.724 26.641 486 HA2 GLY 62 2HA GLY 62 -15.721 -13.292 25.933 487 HA3 GLY 62 1HA GLY 62 -16.294 -13.111 27.584 488 H VAL 63 H VAL 63 -13.544 -13.034 26.650 489 HA VAL 63 HA VAL 63 -12.318 -15.508 27.544 490 HB VAL 63 HB VAL 63 -11.017 -12.871 26.808 491 HG11 VAL 63 1HG1 VAL 63 -9.586 -14.219 28.249 492 HG12 VAL 63 2HG1 VAL 63 -8.948 -14.187 26.606 493 HG13 VAL 63 3HG1 VAL 63 -9.803 -15.615 27.193 494 HG21 VAL 63 3HG2 VAL 63 -12.233 -13.849 24.925 495 HG22 VAL 63 1HG2 VAL 63 -11.392 -15.381 25.163 496 HG23 VAL 63 2HG2 VAL 63 -10.492 -13.947 24.666 497 H ARG 64 H ARG 64 -11.741 -15.952 29.579 498 HA ARG 64 HA ARG 64 -11.859 -13.850 31.616 499 HE ARG 64 HE ARG 64 -12.596 -14.883 36.067 500 HB2 ARG 64 2HB ARG 64 -13.028 -16.087 31.893 501 HB3 ARG 64 1HB ARG 64 -11.436 -16.820 32.024 502 HG2 ARG 64 2HG ARG 64 -12.377 -16.478 34.226 503 HG3 ARG 64 1HG ARG 64 -10.975 -15.430 34.006 504 HD2 ARG 64 2HD ARG 64 -12.395 -13.522 33.602 505 HD3 ARG 64 1HD ARG 64 -13.836 -14.540 33.615 506 HH11 ARG 64 1HH1 ARG 64 -13.984 -12.262 34.306 507 HH12 ARG 64 2HH1 ARG 64 -14.513 -11.446 35.734 508 HH21 ARG 64 1HH2 ARG 64 -13.276 -13.823 37.887 509 HH22 ARG 64 2HH2 ARG 64 -14.130 -12.322 37.743 510 H ASN 65 H ASN 65 -9.632 -16.425 30.540 511 HA ASN 65 HA ASN 65 -7.346 -14.721 30.776 512 HB2 ASN 65 2HB ASN 65 -6.126 -16.036 32.478 513 HB3 ASN 65 1HB ASN 65 -7.572 -15.291 33.154 514 HD21 ASN 65 1HD2 ASN 65 -9.214 -16.588 33.893 515 HD22 ASN 65 2HD2 ASN 65 -9.091 -18.307 33.992 516 H PHE 66 H PHE 66 -5.276 -16.352 30.693 517 HA PHE 66 HA PHE 66 -5.879 -18.545 28.809 518 HD1 PHE 66 HD1 PHE 66 -5.493 -14.811 28.142 519 HD2 PHE 66 HD2 PHE 66 -4.875 -18.269 25.728 520 HE1 PHE 66 HE1 PHE 66 -6.790 -13.777 26.325 521 HE2 PHE 66 HE2 PHE 66 -6.169 -17.235 23.912 522 HZ PHE 66 HZ PHE 66 -7.131 -14.988 24.208 523 HB2 PHE 66 2HB PHE 66 -3.677 -16.479 28.616 524 HB3 PHE 66 1HB PHE 66 -3.641 -17.993 27.723 525 H GLU 67 H GLU 67 -4.506 -20.368 28.948 526 HA GLU 67 HA GLU 67 -2.649 -20.395 31.253 527 HB2 GLU 67 2HB GLU 67 -4.650 -21.710 31.772 528 HB3 GLU 67 1HB GLU 67 -4.440 -22.648 30.299 529 HG2 GLU 67 2HG GLU 67 -2.270 -23.471 31.185 530 HG3 GLU 67 1HG GLU 67 -2.593 -22.609 32.688 531 H VAL 68 H VAL 68 -0.670 -21.357 30.974 532 HA VAL 68 HA VAL 68 -0.006 -22.272 28.253 533 HB VAL 68 HB VAL 68 1.784 -21.380 30.527 534 HG11 VAL 68 1HG1 VAL 68 3.646 -21.584 28.928 535 HG12 VAL 68 2HG1 VAL 68 2.548 -22.317 27.756 536 HG13 VAL 68 3HG1 VAL 68 2.900 -23.145 29.274 537 HG21 VAL 68 3HG2 VAL 68 2.322 -19.504 29.037 538 HG22 VAL 68 1HG2 VAL 68 0.602 -19.554 29.422 539 HG23 VAL 68 2HG2 VAL 68 1.170 -20.117 27.850 540 H ARG 69 H ARG 69 -0.463 -24.403 28.124 541 HA ARG 69 HA ARG 69 0.675 -26.191 30.192 542 HE ARG 69 HE ARG 69 -3.492 -26.851 31.050 543 HB2 ARG 69 2HB ARG 69 -1.800 -26.022 30.362 544 HB3 ARG 69 1HB ARG 69 -1.935 -26.586 28.703 545 HG2 ARG 69 2HG ARG 69 -0.797 -28.702 29.411 546 HG3 ARG 69 1HG ARG 69 -0.896 -28.128 31.077 547 HD2 ARG 69 2HD ARG 69 -3.207 -28.683 29.209 548 HD3 ARG 69 1HD ARG 69 -2.733 -29.642 30.610 549 HH11 ARG 69 1HH1 ARG 69 -4.331 -30.192 31.283 550 HH12 ARG 69 2HH1 ARG 69 -5.602 -29.897 32.420 551 HH21 ARG 69 1HH2 ARG 69 -5.132 -26.486 32.457 552 HH22 ARG 69 2HH2 ARG 69 -6.066 -27.816 33.063 553 H SER 70 H SER 70 1.601 -28.116 29.497 554 HA SER 70 HA SER 70 2.416 -28.311 26.740 555 HG SER 70 HG SER 70 2.120 -31.084 29.130 556 HB2 SER 70 2HB SER 70 3.526 -30.427 27.501 557 HB3 SER 70 1HB SER 70 3.964 -29.022 28.473 558 H ALA 71 H ALA 71 1.499 -29.509 25.142 559 HA ALA 71 HA ALA 71 -0.848 -31.157 25.865 560 HB1 ALA 71 3HB ALA 71 -0.442 -29.505 23.375 561 HB2 ALA 71 1HB ALA 71 -1.473 -29.085 24.743 562 HB3 ALA 71 2HB ALA 71 -1.857 -30.490 23.749 563 H ASP 72 H ASP 72 1.148 -30.767 22.901 564 HA ASP 72 HA ASP 72 0.783 -33.573 22.289 565 HB2 ASP 72 2HB ASP 72 2.584 -31.709 20.756 566 HB3 ASP 72 1HB ASP 72 1.666 -33.086 20.161 567 H TYR 73 H TYR 73 3.163 -34.259 21.038 568 HA TYR 73 HA TYR 73 4.726 -35.267 23.138 569 HD1 TYR 73 HD2 TYR 73 3.177 -35.768 19.523 570 HD2 TYR 73 HD1 TYR 73 5.698 -38.047 22.089 571 HE1 TYR 73 HE2 TYR 73 1.822 -37.770 19.070 572 HE2 TYR 73 HE1 TYR 73 4.350 -40.053 21.643 573 HH TYR 73 HH TYR 73 2.098 -40.638 20.894 574 HB2 TYR 73 2HB TYR 73 5.407 -34.939 20.207 575 HB3 TYR 73 1HB TYR 73 6.383 -35.855 21.349 576 H GLY 74 H GLY 74 5.249 -33.455 24.472 577 HA2 GLY 74 2HA GLY 74 6.864 -32.076 25.368 578 HA3 GLY 74 1HA GLY 74 7.891 -32.483 24.005 579 H THR 75 H THR 75 4.708 -31.003 23.641 580 HA THR 75 HA THR 75 6.003 -28.413 23.028 581 HB THR 75 HB THR 75 4.356 -28.050 21.199 582 HG1 THR 75 HG1 THR 75 2.745 -29.407 21.022 583 HG21 THR 75 3HG2 THR 75 6.597 -28.859 20.640 584 HG22 THR 75 1HG2 THR 75 5.396 -29.553 19.551 585 HG23 THR 75 2HG2 THR 75 6.063 -30.526 20.863 586 H GLN 76 H GLN 76 4.898 -26.564 23.594 587 HA GLN 76 HA GLN 76 2.623 -26.927 25.421 588 HB2 GLN 76 2HB GLN 76 4.486 -24.584 24.973 589 HB3 GLN 76 1HB GLN 76 3.147 -24.578 26.111 590 HG2 GLN 76 2HG GLN 76 4.187 -26.225 27.476 591 HG3 GLN 76 1HG GLN 76 5.421 -26.543 26.254 592 HE21 GLN 76 1HE2 GLN 76 4.304 -24.253 28.651 593 HE22 GLN 76 2HE2 GLN 76 5.760 -23.337 28.730 594 H CYS 77 H CYS 77 0.893 -25.268 25.383 595 HA CYS 77 HA CYS 77 0.560 -23.749 22.912 596 HG CYS 77 HG CYS 77 0.911 -26.037 21.603 597 HB2 CYS 77 2HB CYS 77 -1.419 -25.858 23.806 598 HB3 CYS 77 1HB CYS 77 -1.815 -24.586 22.657 599 H PHE 78 H PHE 78 -0.937 -22.022 23.078 600 HA PHE 78 HA PHE 78 -1.492 -21.131 25.787 601 HD1 PHE 78 HD2 PHE 78 -0.478 -18.531 26.212 602 HD2 PHE 78 HD1 PHE 78 0.204 -19.797 22.198 603 HE1 PHE 78 HE2 PHE 78 1.809 -17.632 26.316 604 HE2 PHE 78 HE1 PHE 78 2.491 -18.898 22.301 605 HZ PHE 78 HZ PHE 78 3.296 -17.814 24.361 606 HB2 PHE 78 2HB PHE 78 -2.000 -19.824 23.099 607 HB3 PHE 78 1HB PHE 78 -2.355 -19.070 24.648 608 H TRP 79 H TRP 79 -3.272 -21.799 26.796 609 HA TRP 79 HA TRP 79 -5.586 -22.712 25.278 610 HD1 TRP 79 HD1 TRP 79 -2.581 -24.056 27.538 611 HE1 TRP 79 HE1 TRP 79 -2.104 -26.479 26.820 612 HE3 TRP 79 HE3 TRP 79 -7.331 -25.493 26.303 613 HZ2 TRP 79 HZ2 TRP 79 -3.546 -28.710 25.872 614 HZ3 TRP 79 HZ3 TRP 79 -7.698 -27.791 25.503 615 HH2 TRP 79 HH2 TRP 79 -5.841 -29.364 25.292 616 HB2 TRP 79 2HB TRP 79 -4.944 -22.843 28.232 617 HB3 TRP 79 1HB TRP 79 -6.402 -23.509 27.499 618 H ILE 80 H ILE 80 -7.350 -21.549 24.975 619 HA ILE 80 HA ILE 80 -7.702 -18.948 26.182 620 HB ILE 80 HB ILE 80 -9.608 -20.430 24.350 621 HG12 ILE 80 2HG1 ILE 80 -7.430 -18.475 23.558 622 HG13 ILE 80 1HG1 ILE 80 -7.319 -20.221 23.367 623 HG21 ILE 80 1HG2 ILE 80 -10.605 -18.526 25.508 624 HG22 ILE 80 2HG2 ILE 80 -10.441 -18.194 23.785 625 HG23 ILE 80 3HG2 ILE 80 -9.307 -17.478 24.931 626 HD11 ILE 80 3HD1 ILE 80 -7.903 -19.145 21.281 627 HD12 ILE 80 1HD1 ILE 80 -9.325 -18.420 22.029 628 HD13 ILE 80 2HD1 ILE 80 -9.223 -20.172 21.840 629 H LEU 81 H LEU 81 -8.376 -19.030 28.315 630 HA LEU 81 HA LEU 81 -10.438 -20.924 29.112 631 HG LEU 81 HG LEU 81 -8.156 -20.810 32.039 632 HB2 LEU 81 2HB LEU 81 -8.793 -18.905 30.619 633 HB3 LEU 81 1HB LEU 81 -10.182 -19.672 31.362 634 HD11 LEU 81 1HD1 LEU 81 -8.719 -23.096 31.404 635 HD12 LEU 81 2HD1 LEU 81 -9.734 -22.494 30.092 636 HD13 LEU 81 3HD1 LEU 81 -10.169 -22.161 31.769 637 HD21 LEU 81 3HD2 LEU 81 -6.702 -21.957 30.457 638 HD22 LEU 81 1HD2 LEU 81 -6.742 -20.226 30.123 639 HD23 LEU 81 2HD2 LEU 81 -7.656 -21.342 29.107 640 H ARG 82 H ARG 82 -12.365 -20.366 28.225 641 HA ARG 82 HA ARG 82 -13.479 -17.771 28.086 642 HE ARG 82 HE ARG 82 -15.037 -19.851 23.784 643 HB2 ARG 82 2HB ARG 82 -14.810 -20.487 28.260 644 HB3 ARG 82 1HB ARG 82 -15.671 -18.997 27.913 645 HG2 ARG 82 2HG ARG 82 -14.486 -18.739 25.826 646 HG3 ARG 82 1HG ARG 82 -13.460 -20.130 26.195 647 HD2 ARG 82 2HD ARG 82 -15.318 -21.634 26.051 648 HD3 ARG 82 1HD ARG 82 -16.469 -20.301 25.972 649 HH11 ARG 82 1HH1 ARG 82 -16.289 -22.826 24.988 650 HH12 ARG 82 2HH1 ARG 82 -16.553 -23.480 23.413 651 HH21 ARG 82 1HH2 ARG 82 -15.437 -20.691 21.762 652 HH22 ARG 82 2HH2 ARG 82 -16.084 -22.286 21.612 653 H THR 83 H THR 83 -15.001 -16.711 29.462 654 HA THR 83 HA THR 83 -14.888 -17.037 32.245 655 HB THR 83 HB THR 83 -17.000 -15.724 32.334 656 HG1 THR 83 HG1 THR 83 -18.203 -15.413 30.567 657 HG21 THR 83 3HG2 THR 83 -14.865 -14.538 32.039 658 HG22 THR 83 1HG2 THR 83 -16.180 -13.709 31.205 659 HG23 THR 83 2HG2 THR 83 -15.029 -14.682 30.289 660 H ASP 84 H ASP 84 -16.950 -18.469 29.826 661 HA ASP 84 HA ASP 84 -18.803 -19.879 31.322 662 HB2 ASP 84 2HB ASP 84 -18.954 -19.736 28.926 663 HB3 ASP 84 1HB ASP 84 -17.409 -20.553 28.723 664 H GLY 85 H GLY 85 -15.390 -20.567 30.856 665 HA2 GLY 85 2HA GLY 85 -14.289 -21.940 32.549 666 HA3 GLY 85 1HA GLY 85 -15.685 -23.003 32.517 667 H SER 86 H SER 86 -15.937 -23.110 29.652 668 HA SER 86 HA SER 86 -14.216 -25.249 29.037 669 HG SER 86 HG SER 86 -17.460 -24.616 27.774 670 HB2 SER 86 2HB SER 86 -15.807 -23.491 27.144 671 HB3 SER 86 1HB SER 86 -15.082 -25.044 26.722 672 H GLU 87 H GLU 87 -12.399 -25.444 27.729 673 HA GLU 87 HA GLU 87 -10.986 -22.924 27.111 674 HB2 GLU 87 2HB GLU 87 -8.881 -23.999 27.649 675 HB3 GLU 87 1HB GLU 87 -9.975 -24.132 29.017 676 HG2 GLU 87 2HG GLU 87 -9.554 -26.350 27.019 677 HG3 GLU 87 1HG GLU 87 -8.600 -26.176 28.489 678 H GLU 88 H GLU 88 -9.452 -22.993 25.339 679 HA GLU 88 HA GLU 88 -9.661 -25.221 23.449 680 HB2 GLU 88 2HB GLU 88 -11.407 -23.240 23.077 681 HB3 GLU 88 1HB GLU 88 -10.025 -22.463 22.324 682 HG2 GLU 88 2HG GLU 88 -11.112 -25.160 21.532 683 HG3 GLU 88 1HG GLU 88 -11.526 -23.645 20.740 684 H ARG 89 H ARG 89 -7.802 -25.458 22.168 685 HA ARG 89 HA ARG 89 -5.555 -23.713 22.967 686 HE ARG 89 HE ARG 89 -3.188 -27.064 21.286 687 HB2 ARG 89 2HB ARG 89 -4.101 -25.655 22.326 688 HB3 ARG 89 1HB ARG 89 -5.168 -25.957 23.688 689 HG2 ARG 89 2HG ARG 89 -6.638 -27.281 22.352 690 HG3 ARG 89 1HG ARG 89 -5.805 -26.814 20.868 691 HD2 ARG 89 2HD ARG 89 -4.622 -28.437 23.125 692 HD3 ARG 89 1HD ARG 89 -5.203 -29.083 21.591 693 HH11 ARG 89 1HH1 ARG 89 -3.700 -30.423 21.876 694 HH12 ARG 89 2HH1 ARG 89 -2.173 -30.881 21.198 695 HH21 ARG 89 1HH2 ARG 89 -1.219 -27.667 20.466 696 HH22 ARG 89 2HH2 ARG 89 -0.783 -29.340 20.424 697 H PHE 90 H PHE 90 -5.289 -22.164 21.414 698 HA PHE 90 HA PHE 90 -5.586 -22.897 18.599 699 HD1 PHE 90 HD1 PHE 90 -5.807 -20.248 21.783 700 HD2 PHE 90 HD2 PHE 90 -3.677 -19.069 18.284 701 HE1 PHE 90 HE1 PHE 90 -4.623 -18.528 23.083 702 HE2 PHE 90 HE2 PHE 90 -2.490 -17.351 19.584 703 HZ PHE 90 HZ PHE 90 -2.965 -17.076 21.985 704 HB2 PHE 90 2HB PHE 90 -5.500 -20.542 18.094 705 HB3 PHE 90 1HB PHE 90 -6.608 -20.791 19.434 706 H SER 91 H SER 91 -3.944 -23.268 17.229 707 HA SER 91 HA SER 91 -1.221 -23.172 18.201 708 HG SER 91 HG SER 91 -0.106 -25.078 15.595 709 HB2 SER 91 2HB SER 91 -1.873 -25.064 16.830 710 HB3 SER 91 1HB SER 91 -2.320 -23.992 15.503 711 H TYR 92 H TYR 92 -0.399 -21.187 18.359 712 HA TYR 92 HA TYR 92 -0.933 -18.950 16.820 713 HD1 TYR 92 HD1 TYR 92 0.781 -21.286 19.538 714 HD2 TYR 92 HD2 TYR 92 3.441 -18.607 17.567 715 HE1 TYR 92 HE1 TYR 92 2.679 -22.698 20.196 716 HE2 TYR 92 HE2 TYR 92 5.349 -20.019 18.217 717 HH TYR 92 HH TYR 92 5.921 -21.699 19.905 718 HB2 TYR 92 2HB TYR 92 1.175 -18.030 17.746 719 HB3 TYR 92 1HB TYR 92 0.183 -18.811 18.971 720 H LYS 93 H LYS 93 1.261 -21.600 16.088 721 HA LYS 93 HA LYS 93 2.644 -20.121 14.023 722 HB2 LYS 93 2HB LYS 93 3.896 -22.152 13.585 723 HB3 LYS 93 1HB LYS 93 3.871 -21.797 15.304 724 HG2 LYS 93 2HG LYS 93 2.258 -23.547 15.696 725 HG3 LYS 93 1HG LYS 93 2.097 -23.833 13.959 726 HD2 LYS 93 2HD LYS 93 4.456 -24.497 13.844 727 HD3 LYS 93 1HD LYS 93 4.631 -24.202 15.573 728 HE2 LYS 93 2HE LYS 93 2.753 -26.232 14.359 729 HE3 LYS 93 1HE LYS 93 4.358 -26.603 14.986 730 HZ1 LYS 93 3HZ LYS 93 1.992 -25.664 16.492 731 HZ2 LYS 93 1HZ LYS 93 3.554 -25.646 17.147 732 HZ3 LYS 93 2HZ LYS 93 2.846 -27.107 16.681 733 H LYS 94 H LYS 94 -0.055 -22.370 14.135 734 HA LYS 94 HA LYS 94 -0.211 -22.798 11.308 735 HB2 LYS 94 2HB LYS 94 -2.263 -23.060 13.512 736 HB3 LYS 94 1HB LYS 94 -2.624 -23.427 11.831 737 HG2 LYS 94 2HG LYS 94 -0.872 -25.155 11.848 738 HG3 LYS 94 1HG LYS 94 -0.563 -24.801 13.551 739 HD2 LYS 94 2HD LYS 94 -2.856 -25.440 14.117 740 HD3 LYS 94 1HD LYS 94 -3.205 -25.748 12.414 741 HE2 LYS 94 2HE LYS 94 -1.579 -27.551 12.379 742 HE3 LYS 94 1HE LYS 94 -1.124 -27.208 14.046 743 HZ1 LYS 94 3HZ LYS 94 -2.643 -29.085 13.872 744 HZ2 LYS 94 1HZ LYS 94 -3.815 -28.098 13.161 745 HZ3 LYS 94 2HZ LYS 94 -3.335 -27.820 14.755 746 H CYS 95 H CYS 95 -0.712 -20.051 13.149 747 HA CYS 95 HA CYS 95 -2.945 -18.962 11.665 748 HG CYS 95 HG CYS 95 -2.718 -20.028 14.592 749 HB2 CYS 95 2HB CYS 95 -1.147 -17.608 13.692 750 HB3 CYS 95 1HB CYS 95 -2.684 -16.999 13.088 751 H VAL 96 H VAL 96 -1.366 -19.483 9.722 752 HA VAL 96 HA VAL 96 -0.263 -16.868 8.941 753 HB VAL 96 HB VAL 96 0.881 -19.527 8.031 754 HG11 VAL 96 1HG1 VAL 96 1.125 -17.765 6.371 755 HG12 VAL 96 2HG1 VAL 96 2.690 -18.170 7.075 756 HG13 VAL 96 3HG1 VAL 96 1.851 -16.703 7.579 757 HG21 VAL 96 3HG2 VAL 96 2.848 -19.002 9.390 758 HG22 VAL 96 1HG2 VAL 96 1.401 -19.185 10.381 759 HG23 VAL 96 2HG2 VAL 96 2.028 -17.574 10.026 760 H LEU 97 H LEU 97 -0.448 -19.773 6.982 761 HA LEU 97 HA LEU 97 -2.958 -19.269 5.728 762 HG LEU 97 HG LEU 97 -1.697 -16.619 5.165 763 HB2 LEU 97 2HB LEU 97 -0.415 -18.534 4.271 764 HB3 LEU 97 1HB LEU 97 -1.832 -19.067 3.391 765 HD11 LEU 97 1HD1 LEU 97 -0.389 -16.356 3.121 766 HD12 LEU 97 2HD1 LEU 97 -1.837 -15.350 3.087 767 HD13 LEU 97 3HD1 LEU 97 -1.783 -16.848 2.156 768 HD21 LEU 97 3HD2 LEU 97 -3.917 -17.629 3.377 769 HD22 LEU 97 1HD2 LEU 97 -3.911 -16.096 4.254 770 HD23 LEU 97 2HD2 LEU 97 -3.925 -17.619 5.141 771 H GLU 98 H GLU 98 -3.461 -21.009 4.159 772 HA GLU 98 HA GLU 98 -1.850 -23.398 4.614 773 HB2 GLU 98 2HB GLU 98 -4.476 -22.975 3.181 774 HB3 GLU 98 1HB GLU 98 -3.643 -24.524 3.231 775 HG2 GLU 98 2HG GLU 98 -3.738 -24.354 5.754 776 HG3 GLU 98 1HG GLU 98 -4.832 -22.988 5.530 777 H HIS 99 H HIS 99 -0.170 -23.838 3.349 778 HA HIS 99 HA HIS 99 0.604 -22.330 1.149 779 HD1 HIS 99 HD1 HIS 99 2.007 -25.656 -0.722 780 HD2 HIS 99 HD2 HIS 99 3.986 -22.385 0.904 781 HE1 HIS 99 HE1 HIS 99 3.822 -25.091 -2.355 782 HE2 HIS 99 HE2 HIS 99 4.855 -22.985 -1.458 783 HB2 HIS 99 2HB HIS 99 2.141 -23.725 2.496 784 HB3 HIS 99 1HB HIS 99 1.436 -25.174 1.785 785 H HIS 100 H HIS 100 0.321 -22.432 -1.014 786 HA HIS 100 HA HIS 100 -1.946 -23.595 -2.116 787 HD1 HIS 100 HD1 HIS 100 -1.966 -21.053 -5.154 788 HD2 HIS 100 HD2 HIS 100 -0.635 -20.623 -1.242 789 HE1 HIS 100 HE1 HIS 100 -2.749 -18.786 -4.422 790 HE2 HIS 100 HE2 HIS 100 -1.793 -18.485 -2.119 791 HB2 HIS 100 2HB HIS 100 0.574 -22.586 -3.443 792 HB3 HIS 100 1HB HIS 100 -0.846 -23.099 -4.351 793 H HIS 101 H HIS 101 -2.332 -25.345 -3.496 794 HA HIS 101 HA HIS 101 -0.782 -27.679 -2.712 795 HD1 HIS 101 HD1 HIS 101 -2.936 -29.634 -1.237 796 HD2 HIS 101 HD2 HIS 101 -4.416 -25.828 -1.991 797 HE1 HIS 101 HE1 HIS 101 -4.174 -28.970 0.841 798 HE2 HIS 101 HE2 HIS 101 -4.897 -26.602 0.427 799 HB2 HIS 101 2HB HIS 101 -3.428 -27.412 -4.153 800 HB3 HIS 101 1HB HIS 101 -2.702 -28.941 -3.669 801 H HIS 102 H HIS 102 0.256 -29.087 -4.046 802 HA HIS 102 HA HIS 102 0.891 -28.192 -6.741 803 HD1 HIS 102 HD1 HIS 102 2.477 -30.322 -3.091 804 HD2 HIS 102 HD2 HIS 102 1.360 -32.607 -6.380 805 HE1 HIS 102 HE1 HIS 102 2.180 -32.657 -2.219 806 HE2 HIS 102 HE2 HIS 102 1.722 -34.048 -4.264 807 HB2 HIS 102 2HB HIS 102 2.539 -30.000 -6.754 808 HB3 HIS 102 1HB HIS 102 2.682 -29.057 -5.276 809 H HIS 103 H HIS 103 -1.831 -29.364 -5.946 810 HA HIS 103 HA HIS 103 -1.986 -31.807 -7.503 811 HD1 HIS 103 HD1 HIS 103 -6.217 -30.429 -7.444 812 HD2 HIS 103 HD2 HIS 103 -4.089 -33.987 -7.180 813 HE1 HIS 103 HE1 HIS 103 -7.678 -32.166 -8.507 814 HE2 HIS 103 HE2 HIS 103 -6.291 -34.262 -8.499 815 HB2 HIS 103 2HB HIS 103 -3.379 -31.660 -5.522 816 HB3 HIS 103 1HB HIS 103 -4.120 -30.173 -6.106 817 H HIS 104 H HIS 104 -1.584 -31.345 -9.633 818 HA HIS 104 HA HIS 104 -3.120 -29.260 -10.986 819 HD1 HIS 104 HD1 HIS 104 -2.869 -31.107 -14.238 820 HD2 HIS 104 HD2 HIS 104 -0.827 -27.598 -13.343 821 HE1 HIS 104 HE1 HIS 104 -3.086 -29.657 -16.275 822 HE2 HIS 104 HE2 HIS 104 -1.996 -27.487 -15.641 823 HB2 HIS 104 2HB HIS 104 -0.702 -29.578 -11.500 824 HB3 HIS 104 1HB HIS 104 -1.072 -31.177 -12.140 Start of MODEL 20 1 HA MET 1 HA MET 1 -1.376 0.519 -2.587 2 H1 MET 1 1H MET 1 -2.893 1.571 -1.061 3 H2 MET 1 2H MET 1 -2.782 0.265 0.008 4 H3 MET 1 3H MET 1 -3.474 0.051 -1.518 5 HB2 MET 1 2HB MET 1 -0.306 0.631 0.244 6 HB3 MET 1 1HB MET 1 0.675 0.674 -1.216 7 HG2 MET 1 2HG MET 1 0.396 2.899 -0.286 8 HG3 MET 1 1HG MET 1 -0.374 2.780 -1.868 9 HE1 MET 1 3HE MET 1 -2.747 5.280 -0.034 10 HE2 MET 1 1HE MET 1 -1.818 4.966 -1.500 11 HE3 MET 1 2HE MET 1 -0.987 5.189 0.041 12 H ALA 2 H ALA 2 -2.060 -1.455 0.270 13 HA ALA 2 HA ALA 2 -1.757 -3.651 0.757 14 HB1 ALA 2 3HB ALA 2 -2.267 -5.241 -1.001 15 HB2 ALA 2 1HB ALA 2 -1.992 -4.007 -2.232 16 HB3 ALA 2 2HB ALA 2 -3.345 -3.850 -1.112 17 H LYS 3 H LYS 3 0.417 -3.341 1.504 18 HA LYS 3 HA LYS 3 2.424 -4.666 -0.217 19 HB2 LYS 3 2HB LYS 3 2.874 -2.316 1.640 20 HB3 LYS 3 1HB LYS 3 4.159 -3.222 0.852 21 HG2 LYS 3 2HG LYS 3 3.230 -2.562 -1.347 22 HG3 LYS 3 1HG LYS 3 2.028 -1.577 -0.509 23 HD2 LYS 3 2HD LYS 3 3.911 -0.212 -1.275 24 HD3 LYS 3 1HD LYS 3 3.813 -0.228 0.486 25 HE2 LYS 3 2HE LYS 3 6.127 -0.461 -0.316 26 HE3 LYS 3 1HE LYS 3 5.600 -1.875 0.597 27 HZ1 LYS 3 3HZ LYS 3 6.815 -2.493 -1.398 28 HZ2 LYS 3 1HZ LYS 3 5.698 -1.675 -2.367 29 HZ3 LYS 3 2HZ LYS 3 5.220 -3.037 -1.483 30 H ALA 4 H ALA 4 4.118 -5.808 0.911 31 HA ALA 4 HA ALA 4 3.223 -7.165 3.281 32 HB1 ALA 4 3HB ALA 4 5.876 -7.310 1.845 33 HB2 ALA 4 1HB ALA 4 4.481 -8.354 1.563 34 HB3 ALA 4 2HB ALA 4 5.330 -8.412 3.110 35 H GLN 5 H GLN 5 3.502 -6.490 5.318 36 HA GLN 5 HA GLN 5 5.855 -4.894 6.030 37 HB2 GLN 5 2HB GLN 5 4.525 -3.215 7.186 38 HB3 GLN 5 1HB GLN 5 4.063 -3.283 5.492 39 HG2 GLN 5 2HG GLN 5 2.085 -4.612 6.092 40 HG3 GLN 5 1HG GLN 5 2.547 -4.515 7.791 41 HE21 GLN 5 1HE2 GLN 5 2.377 -2.535 8.866 42 HE22 GLN 5 2HE2 GLN 5 1.414 -1.245 8.245 43 HA PRO 6 HA PRO 6 6.183 -7.137 9.837 44 HB2 PRO 6 2HB PRO 6 5.789 -4.528 11.262 45 HB3 PRO 6 1HB PRO 6 7.028 -5.767 11.505 46 HG2 PRO 6 2HG PRO 6 7.614 -3.544 10.187 47 HG3 PRO 6 1HG PRO 6 8.241 -5.107 9.629 48 HD2 PRO 6 2HD PRO 6 6.025 -3.445 8.504 49 HD3 PRO 6 1HD PRO 6 7.205 -4.473 7.667 50 H ILE 7 H ILE 7 4.736 -8.350 10.894 51 HA ILE 7 HA ILE 7 1.967 -7.604 11.091 52 HB ILE 7 HB ILE 7 3.439 -10.013 12.204 53 HG12 ILE 7 2HG1 ILE 7 2.128 -11.206 10.362 54 HG13 ILE 7 1HG1 ILE 7 1.758 -9.616 9.710 55 HG21 ILE 7 1HG2 ILE 7 1.453 -9.580 13.535 56 HG22 ILE 7 2HG2 ILE 7 1.218 -11.017 12.541 57 HG23 ILE 7 3HG2 ILE 7 0.466 -9.491 12.076 58 HD11 ILE 7 3HD1 ILE 7 3.608 -10.673 8.545 59 HD12 ILE 7 1HD1 ILE 7 4.512 -10.781 10.054 60 HD13 ILE 7 2HD1 ILE 7 4.131 -9.201 9.365 61 H GLU 8 H GLU 8 1.358 -6.136 12.578 62 HA GLU 8 HA GLU 8 2.772 -5.920 15.119 63 HB2 GLU 8 2HB GLU 8 2.235 -3.915 13.723 64 HB3 GLU 8 1HB GLU 8 0.530 -4.199 14.026 65 HG2 GLU 8 2HG GLU 8 2.421 -3.849 16.323 66 HG3 GLU 8 1HG GLU 8 1.854 -2.444 15.427 67 H ILE 9 H ILE 9 2.091 -6.903 16.911 68 HA ILE 9 HA ILE 9 -0.793 -7.385 17.311 69 HB ILE 9 HB ILE 9 1.401 -9.371 17.977 70 HG12 ILE 9 2HG1 ILE 9 -0.788 -9.526 15.879 71 HG13 ILE 9 1HG1 ILE 9 0.922 -9.264 15.551 72 HG21 ILE 9 1HG2 ILE 9 -0.431 -10.870 18.633 73 HG22 ILE 9 2HG2 ILE 9 -1.598 -9.588 18.308 74 HG23 ILE 9 3HG2 ILE 9 -0.421 -9.400 19.609 75 HD11 ILE 9 3HD1 ILE 9 0.311 -11.560 15.117 76 HD12 ILE 9 1HD1 ILE 9 -0.303 -11.734 16.763 77 HD13 ILE 9 2HD1 ILE 9 1.420 -11.478 16.487 78 H ALA 10 H ALA 10 -1.386 -6.240 19.062 79 HA ALA 10 HA ALA 10 -1.502 -5.429 21.187 80 HB1 ALA 10 3HB ALA 10 -1.310 -7.793 21.785 81 HB2 ALA 10 1HB ALA 10 -0.530 -6.763 22.985 82 HB3 ALA 10 2HB ALA 10 0.447 -7.650 21.814 83 H GLY 11 H GLY 11 0.573 -4.350 19.358 84 HA2 GLY 11 2HA GLY 11 1.864 -2.396 19.744 85 HA3 GLY 11 1HA GLY 11 2.141 -2.925 21.395 86 H HIS 12 H HIS 12 2.653 -5.571 19.496 87 HA HIS 12 HA HIS 12 5.557 -5.026 19.293 88 HD1 HIS 12 HD1 HIS 12 7.065 -6.855 21.775 89 HD2 HIS 12 HD2 HIS 12 2.930 -6.574 22.076 90 HE1 HIS 12 HE1 HIS 12 6.593 -6.534 24.217 91 HE2 HIS 12 HE2 HIS 12 4.106 -6.167 24.347 92 HB2 HIS 12 2HB HIS 12 4.166 -7.692 19.699 93 HB3 HIS 12 1HB HIS 12 5.906 -7.436 19.624 94 H GLU 13 H GLU 13 6.102 -4.679 17.192 95 HA GLU 13 HA GLU 13 4.590 -6.010 15.077 96 HB2 GLU 13 2HB GLU 13 5.760 -4.546 13.509 97 HB3 GLU 13 1HB GLU 13 5.004 -3.618 14.793 98 HG2 GLU 13 2HG GLU 13 7.914 -4.365 14.895 99 HG3 GLU 13 1HG GLU 13 7.349 -2.945 14.021 100 H PHE 14 H PHE 14 5.351 -7.583 13.784 101 HA PHE 14 HA PHE 14 8.109 -8.545 14.251 102 HD1 PHE 14 HD1 PHE 14 8.179 -10.684 16.130 103 HD2 PHE 14 HD2 PHE 14 4.144 -9.701 15.189 104 HE1 PHE 14 HE1 PHE 14 7.577 -10.905 18.502 105 HE2 PHE 14 HE2 PHE 14 3.537 -9.918 17.561 106 HZ PHE 14 HZ PHE 14 5.254 -10.520 19.221 107 HB2 PHE 14 2HB PHE 14 5.687 -10.184 13.448 108 HB3 PHE 14 1HB PHE 14 7.298 -10.801 13.802 109 H ALA 15 H ALA 15 9.434 -8.342 12.553 110 HA ALA 15 HA ALA 15 8.704 -7.179 10.137 111 HB1 ALA 15 3HB ALA 15 10.955 -7.677 9.368 112 HB2 ALA 15 1HB ALA 15 11.152 -8.861 10.661 113 HB3 ALA 15 2HB ALA 15 10.977 -7.149 11.051 114 H ARG 16 H ARG 16 8.692 -10.566 10.969 115 HA ARG 16 HA ARG 16 7.631 -11.208 8.307 116 HE ARG 16 HE ARG 16 11.996 -13.700 11.553 117 HB2 ARG 16 2HB ARG 16 8.984 -13.312 8.277 118 HB3 ARG 16 1HB ARG 16 9.942 -11.844 8.136 119 HG2 ARG 16 2HG ARG 16 10.527 -11.996 10.514 120 HG3 ARG 16 1HG ARG 16 9.572 -13.474 10.649 121 HD2 ARG 16 2HD ARG 16 11.041 -14.614 9.100 122 HD3 ARG 16 1HD ARG 16 11.944 -13.126 8.807 123 HH11 ARG 16 1HH1 ARG 16 13.244 -14.949 8.598 124 HH12 ARG 16 2HH1 ARG 16 14.665 -15.588 9.344 125 HH21 ARG 16 1HH2 ARG 16 13.814 -14.502 12.494 126 HH22 ARG 16 2HH2 ARG 16 14.999 -15.316 11.528 127 H LYS 17 H LYS 17 6.337 -13.117 8.220 128 HA LYS 17 HA LYS 17 4.426 -13.372 10.179 129 HB2 LYS 17 2HB LYS 17 4.353 -14.236 7.803 130 HB3 LYS 17 1HB LYS 17 5.277 -15.625 8.350 131 HG2 LYS 17 2HG LYS 17 3.056 -16.352 8.328 132 HG3 LYS 17 1HG LYS 17 3.392 -16.013 10.027 133 HD2 LYS 17 2HD LYS 17 2.292 -13.822 9.799 134 HD3 LYS 17 1HD LYS 17 1.957 -14.169 8.102 135 HE2 LYS 17 2HE LYS 17 0.714 -16.231 8.931 136 HE3 LYS 17 1HE LYS 17 0.834 -15.528 10.542 137 HZ1 LYS 17 3HZ LYS 17 -1.258 -14.946 9.577 138 HZ2 LYS 17 1HZ LYS 17 -0.516 -14.340 8.183 139 HZ3 LYS 17 2HZ LYS 17 -0.313 -13.548 9.660 140 H ALA 18 H ALA 18 7.255 -15.471 9.709 141 HA ALA 18 HA ALA 18 6.654 -17.329 11.739 142 HB1 ALA 18 3HB ALA 18 8.931 -18.125 11.445 143 HB2 ALA 18 1HB ALA 18 9.344 -16.661 10.551 144 HB3 ALA 18 2HB ALA 18 8.177 -17.803 9.884 145 H ASP 19 H ASP 19 8.122 -14.177 11.933 146 HA ASP 19 HA ASP 19 9.678 -14.559 14.267 147 HB2 ASP 19 2HB ASP 19 9.871 -12.638 12.644 148 HB3 ASP 19 1HB ASP 19 8.401 -11.970 13.343 149 H ALA 20 H ALA 20 6.303 -13.594 13.786 150 HA ALA 20 HA ALA 20 5.628 -13.081 16.479 151 HB1 ALA 20 3HB ALA 20 3.867 -14.146 14.264 152 HB2 ALA 20 1HB ALA 20 4.189 -12.445 14.604 153 HB3 ALA 20 2HB ALA 20 3.309 -13.426 15.776 154 H LEU 21 H LEU 21 5.617 -16.061 14.572 155 HA LEU 21 HA LEU 21 4.542 -17.785 16.538 156 HG LEU 21 HG LEU 21 4.396 -17.387 13.422 157 HB2 LEU 21 2HB LEU 21 6.477 -18.442 14.303 158 HB3 LEU 21 1HB LEU 21 5.489 -19.597 15.180 159 HD11 LEU 21 1HD1 LEU 21 5.595 -19.077 12.118 160 HD12 LEU 21 2HD1 LEU 21 3.858 -19.141 11.830 161 HD13 LEU 21 3HD1 LEU 21 4.625 -20.345 12.866 162 HD21 LEU 21 3HD2 LEU 21 2.844 -17.991 15.184 163 HD22 LEU 21 1HD2 LEU 21 3.034 -19.704 14.805 164 HD23 LEU 21 2HD2 LEU 21 2.268 -18.620 13.643 165 H ALA 22 H ALA 22 7.858 -16.799 15.784 166 HA ALA 22 HA ALA 22 9.219 -18.467 17.599 167 HB1 ALA 22 3HB ALA 22 10.317 -17.195 15.784 168 HB2 ALA 22 1HB ALA 22 11.092 -16.946 17.349 169 HB3 ALA 22 2HB ALA 22 10.031 -15.703 16.682 170 H PHE 23 H PHE 23 7.849 -15.213 18.002 171 HA PHE 23 HA PHE 23 8.693 -14.749 20.644 172 HD1 PHE 23 HD1 PHE 23 8.773 -11.960 21.211 173 HD2 PHE 23 HD2 PHE 23 4.745 -13.350 21.118 174 HE1 PHE 23 HE1 PHE 23 8.263 -10.610 23.204 175 HE2 PHE 23 HE2 PHE 23 4.228 -12.002 23.112 176 HZ PHE 23 HZ PHE 23 5.989 -10.625 24.158 177 HB2 PHE 23 2HB PHE 23 7.773 -12.992 19.172 178 HB3 PHE 23 1HB PHE 23 6.186 -13.747 19.263 179 H MET 24 H MET 24 5.536 -15.982 19.474 180 HA MET 24 HA MET 24 4.426 -16.580 21.938 181 HB2 MET 24 2HB MET 24 3.991 -17.798 19.222 182 HB3 MET 24 1HB MET 24 3.085 -18.339 20.631 183 HG2 MET 24 2HG MET 24 2.297 -16.032 20.982 184 HG3 MET 24 1HG MET 24 3.151 -15.537 19.523 185 HE1 MET 24 3HE MET 24 1.166 -17.238 16.684 186 HE2 MET 24 1HE MET 24 2.697 -17.713 17.416 187 HE3 MET 24 2HE MET 24 2.360 -16.011 17.103 188 H LYS 25 H LYS 25 6.893 -18.393 20.214 189 HA LYS 25 HA LYS 25 6.755 -20.692 21.906 190 HB2 LYS 25 2HB LYS 25 7.964 -21.001 19.888 191 HB3 LYS 25 1HB LYS 25 8.966 -19.581 20.177 192 HG2 LYS 25 2HG LYS 25 10.129 -20.676 21.967 193 HG3 LYS 25 1HG LYS 25 9.033 -22.054 21.907 194 HD2 LYS 25 2HD LYS 25 9.894 -22.728 19.774 195 HD3 LYS 25 1HD LYS 25 10.832 -21.239 19.623 196 HE2 LYS 25 2HE LYS 25 12.203 -23.199 20.282 197 HE3 LYS 25 1HE LYS 25 12.260 -21.888 21.453 198 HZ1 LYS 25 3HZ LYS 25 10.692 -23.086 22.830 199 HZ2 LYS 25 1HZ LYS 25 12.032 -24.060 22.502 200 HZ3 LYS 25 2HZ LYS 25 10.577 -24.324 21.686 201 H VAL 26 H VAL 26 8.768 -17.743 22.001 202 HA VAL 26 HA VAL 26 10.318 -18.326 24.241 203 HB VAL 26 HB VAL 26 9.266 -15.612 23.393 204 HG11 VAL 26 1HG1 VAL 26 10.093 -15.524 25.671 205 HG12 VAL 26 2HG1 VAL 26 11.237 -14.717 24.597 206 HG13 VAL 26 3HG1 VAL 26 11.582 -16.341 25.193 207 HG21 VAL 26 3HG2 VAL 26 10.493 -16.766 21.610 208 HG22 VAL 26 1HG2 VAL 26 11.860 -17.002 22.697 209 HG23 VAL 26 2HG2 VAL 26 11.394 -15.374 22.207 210 H MET 27 H MET 27 7.287 -16.436 24.177 211 HA MET 27 HA MET 27 6.957 -16.191 26.948 212 HB2 MET 27 2HB MET 27 4.616 -15.648 26.439 213 HB3 MET 27 1HB MET 27 5.707 -14.853 25.315 214 HG2 MET 27 2HG MET 27 5.236 -16.950 23.827 215 HG3 MET 27 1HG MET 27 3.801 -17.095 24.838 216 HE1 MET 27 3HE MET 27 1.910 -15.205 24.986 217 HE2 MET 27 1HE MET 27 1.995 -13.676 24.111 218 HE3 MET 27 2HE MET 27 3.130 -14.007 25.419 219 H LEU 28 H LEU 28 5.998 -18.800 24.756 220 HA LEU 28 HA LEU 28 4.431 -20.265 26.620 221 HG LEU 28 HG LEU 28 5.216 -23.141 25.553 222 HB2 LEU 28 2HB LEU 28 4.280 -20.600 24.197 223 HB3 LEU 28 1HB LEU 28 5.923 -21.212 24.167 224 HD11 LEU 28 1HD1 LEU 28 2.824 -23.584 25.884 225 HD12 LEU 28 2HD1 LEU 28 2.439 -21.997 25.218 226 HD13 LEU 28 3HD1 LEU 28 3.342 -22.126 26.727 227 HD21 LEU 28 3HD2 LEU 28 3.952 -24.299 23.800 228 HD22 LEU 28 1HD2 LEU 28 5.267 -23.341 23.119 229 HD23 LEU 28 2HD2 LEU 28 3.606 -22.753 23.022 230 H ASN 29 H ASN 29 7.868 -20.356 25.774 231 HA ASN 29 HA ASN 29 8.432 -22.648 27.443 232 HB2 ASN 29 2HB ASN 29 10.247 -20.732 25.956 233 HB3 ASN 29 1HB ASN 29 10.834 -22.104 26.890 234 HD21 ASN 29 1HD2 ASN 29 7.909 -22.120 24.913 235 HD22 ASN 29 2HD2 ASN 29 8.487 -23.258 23.761 236 H ARG 30 H ARG 30 8.180 -19.271 27.899 237 HA ARG 30 HA ARG 30 9.784 -18.935 30.207 238 HE ARG 30 HE ARG 30 8.197 -15.869 33.376 239 HB2 ARG 30 2HB ARG 30 9.049 -16.978 29.071 240 HB3 ARG 30 1HB ARG 30 7.367 -17.482 29.125 241 HG2 ARG 30 2HG ARG 30 7.730 -15.669 30.671 242 HG3 ARG 30 1HG ARG 30 7.355 -17.142 31.563 243 HD2 ARG 30 2HD ARG 30 9.835 -17.455 31.886 244 HD3 ARG 30 1HD ARG 30 10.056 -15.843 31.202 245 HH11 ARG 30 1HH1 ARG 30 11.553 -15.757 32.612 246 HH12 ARG 30 2HH1 ARG 30 11.972 -15.019 34.117 247 HH21 ARG 30 1HH2 ARG 30 8.757 -14.939 35.294 248 HH22 ARG 30 2HH2 ARG 30 10.416 -14.558 35.613 249 H TYR 31 H TYR 31 6.439 -20.029 29.774 250 HA TYR 31 HA TYR 31 6.061 -20.240 32.674 251 HD1 TYR 31 HD1 TYR 31 3.809 -18.683 33.450 252 HD2 TYR 31 HD2 TYR 31 4.166 -18.742 29.209 253 HE1 TYR 31 HE1 TYR 31 3.252 -16.288 33.372 254 HE2 TYR 31 HE2 TYR 31 3.614 -16.351 29.122 255 HH TYR 31 HH TYR 31 2.622 -14.650 30.368 256 HB2 TYR 31 2HB TYR 31 4.125 -20.787 30.411 257 HB3 TYR 31 1HB TYR 31 3.728 -20.826 32.124 258 H ARG 32 H ARG 32 5.191 -22.211 33.616 259 HA ARG 32 HA ARG 32 6.254 -24.653 32.361 260 HE ARG 32 HE ARG 32 9.157 -22.910 36.402 261 HB2 ARG 32 2HB ARG 32 5.356 -24.087 35.204 262 HB3 ARG 32 1HB ARG 32 5.868 -25.665 34.638 263 HG2 ARG 32 2HG ARG 32 7.675 -24.658 35.839 264 HG3 ARG 32 1HG ARG 32 8.108 -24.706 34.131 265 HD2 ARG 32 2HD ARG 32 7.771 -22.381 33.873 266 HD3 ARG 32 1HD ARG 32 6.884 -22.259 35.393 267 HH11 ARG 32 1HH1 ARG 32 8.820 -20.996 33.547 268 HH12 ARG 32 2HH1 ARG 32 10.245 -20.074 33.877 269 HH21 ARG 32 1HH2 ARG 32 10.961 -21.700 36.805 270 HH22 ARG 32 2HH2 ARG 32 11.417 -20.443 35.703 271 HA PRO 33 HA PRO 33 2.284 -26.257 31.281 272 HB2 PRO 33 2HB PRO 33 2.233 -28.821 32.243 273 HB3 PRO 33 1HB PRO 33 3.180 -28.315 30.840 274 HG2 PRO 33 2HG PRO 33 4.061 -28.667 33.687 275 HG3 PRO 33 1HG PRO 33 4.857 -29.209 32.196 276 HD2 PRO 33 2HD PRO 33 5.665 -27.001 33.480 277 HD3 PRO 33 1HD PRO 33 5.666 -27.082 31.706 278 H GLY 34 H GLY 34 2.568 -25.167 34.253 279 HA2 GLY 34 2HA GLY 34 -0.221 -25.854 34.896 280 HA3 GLY 34 1HA GLY 34 1.005 -26.014 36.144 281 H ASP 35 H ASP 35 1.655 -23.405 34.059 282 HA ASP 35 HA ASP 35 0.820 -21.539 36.167 283 HB2 ASP 35 2HB ASP 35 2.746 -21.252 33.861 284 HB3 ASP 35 1HB ASP 35 2.258 -19.894 34.869 285 H ILE 36 H ILE 36 -0.058 -19.435 35.582 286 HA ILE 36 HA ILE 36 -1.899 -19.560 33.281 287 HB ILE 36 HB ILE 36 -1.998 -17.782 35.739 288 HG12 ILE 36 2HG1 ILE 36 -2.552 -20.126 36.236 289 HG13 ILE 36 1HG1 ILE 36 -3.979 -19.103 36.366 290 HG21 ILE 36 1HG2 ILE 36 -2.923 -16.624 33.819 291 HG22 ILE 36 2HG2 ILE 36 -4.219 -17.096 34.918 292 HG23 ILE 36 3HG2 ILE 36 -3.942 -18.014 33.436 293 HD11 ILE 36 3HD1 ILE 36 -4.516 -21.199 35.290 294 HD12 ILE 36 1HD1 ILE 36 -3.286 -20.912 34.060 295 HD13 ILE 36 2HD1 ILE 36 -4.706 -19.869 34.151 296 H VAL 37 H VAL 37 -1.694 -18.142 31.619 297 HA VAL 37 HA VAL 37 0.672 -16.674 31.252 298 HB VAL 37 HB VAL 37 -1.961 -16.317 29.794 299 HG11 VAL 37 1HG1 VAL 37 -0.601 -15.422 27.968 300 HG12 VAL 37 2HG1 VAL 37 0.850 -15.585 28.956 301 HG13 VAL 37 3HG1 VAL 37 -0.417 -14.454 29.429 302 HG21 VAL 37 3HG2 VAL 37 0.391 -18.114 29.168 303 HG22 VAL 37 1HG2 VAL 37 -1.013 -17.866 28.129 304 HG23 VAL 37 2HG2 VAL 37 -1.207 -18.636 29.705 305 H SER 38 H SER 38 1.291 -14.781 32.053 306 HA SER 38 HA SER 38 -0.286 -13.225 33.778 307 HG SER 38 HG SER 38 2.757 -12.935 34.866 308 HB2 SER 38 2HB SER 38 2.295 -12.491 32.373 309 HB3 SER 38 1HB SER 38 1.589 -11.607 33.727 310 H THR 39 H THR 39 -0.326 -10.711 33.457 311 HA THR 39 HA THR 39 -2.470 -10.227 31.761 312 HB THR 39 HB THR 39 -0.588 -8.120 32.848 313 HG1 THR 39 HG1 THR 39 -2.631 -8.291 34.437 314 HG21 THR 39 3HG2 THR 39 -3.519 -8.014 32.087 315 HG22 THR 39 1HG2 THR 39 -2.186 -7.236 31.227 316 HG23 THR 39 2HG2 THR 39 -2.615 -6.705 32.853 317 H VAL 40 H VAL 40 0.884 -9.025 31.301 318 HA VAL 40 HA VAL 40 0.442 -7.714 28.866 319 HB VAL 40 HB VAL 40 3.006 -9.023 29.817 320 HG11 VAL 40 1HG1 VAL 40 3.111 -8.526 27.432 321 HG12 VAL 40 2HG1 VAL 40 4.138 -7.410 28.333 322 HG13 VAL 40 3HG1 VAL 40 2.569 -6.873 27.733 323 HG21 VAL 40 3HG2 VAL 40 2.028 -6.182 30.154 324 HG22 VAL 40 1HG2 VAL 40 3.586 -6.814 30.685 325 HG23 VAL 40 2HG2 VAL 40 2.097 -7.407 31.422 326 H ASP 41 H ASP 41 2.025 -10.895 29.285 327 HA ASP 41 HA ASP 41 2.097 -11.680 26.626 328 HB2 ASP 41 2HB ASP 41 1.735 -13.439 29.071 329 HB3 ASP 41 1HB ASP 41 2.310 -13.979 27.496 330 H GLY 42 H GLY 42 -0.542 -12.011 28.973 331 HA2 GLY 42 2HA GLY 42 -2.291 -13.570 27.399 332 HA3 GLY 42 1HA GLY 42 -2.770 -12.505 28.711 333 H ALA 43 H ALA 43 -2.059 -10.023 27.762 334 HA ALA 43 HA ALA 43 -4.137 -9.248 26.091 335 HB1 ALA 43 3HB ALA 43 -2.917 -7.136 25.805 336 HB2 ALA 43 1HB ALA 43 -1.465 -7.890 26.465 337 HB3 ALA 43 2HB ALA 43 -2.891 -7.682 27.483 338 H PHE 44 H PHE 44 -0.821 -10.139 25.266 339 HA PHE 44 HA PHE 44 -0.914 -9.642 22.497 340 HD1 PHE 44 HD1 PHE 44 0.747 -13.297 22.041 341 HD2 PHE 44 HD2 PHE 44 2.020 -9.241 21.730 342 HE1 PHE 44 HE1 PHE 44 1.882 -13.819 19.925 343 HE2 PHE 44 HE2 PHE 44 3.153 -9.758 19.610 344 HZ PHE 44 HZ PHE 44 3.084 -12.050 18.703 345 HB2 PHE 44 2HB PHE 44 1.157 -10.102 23.805 346 HB3 PHE 44 1HB PHE 44 0.656 -11.781 23.963 347 H LEU 45 H LEU 45 -1.499 -12.663 24.307 348 HA LEU 45 HA LEU 45 -2.210 -14.280 22.135 349 HG LEU 45 HG LEU 45 -0.610 -14.777 24.641 350 HB2 LEU 45 2HB LEU 45 -3.043 -14.410 25.032 351 HB3 LEU 45 1HB LEU 45 -3.397 -15.670 23.865 352 HD11 LEU 45 1HD1 LEU 45 -2.143 -17.247 25.453 353 HD12 LEU 45 2HD1 LEU 45 -1.748 -15.883 26.498 354 HD13 LEU 45 3HD1 LEU 45 -0.459 -16.891 25.843 355 HD21 LEU 45 3HD2 LEU 45 -1.568 -17.083 22.938 356 HD22 LEU 45 1HD2 LEU 45 0.102 -16.801 23.438 357 HD23 LEU 45 2HD2 LEU 45 -0.706 -15.650 22.374 358 H VAL 46 H VAL 46 -4.190 -12.054 24.050 359 HA VAL 46 HA VAL 46 -6.722 -12.777 23.108 360 HB VAL 46 HB VAL 46 -5.742 -9.991 23.792 361 HG11 VAL 46 1HG1 VAL 46 -8.117 -9.456 24.155 362 HG12 VAL 46 2HG1 VAL 46 -8.565 -11.057 23.568 363 HG13 VAL 46 3HG1 VAL 46 -7.798 -9.901 22.479 364 HG21 VAL 46 3HG2 VAL 46 -6.771 -10.403 25.987 365 HG22 VAL 46 1HG2 VAL 46 -5.476 -11.553 25.653 366 HG23 VAL 46 2HG2 VAL 46 -7.160 -12.051 25.495 367 H GLU 47 H GLU 47 -4.476 -10.327 21.765 368 HA GLU 47 HA GLU 47 -6.068 -9.742 19.488 369 HB2 GLU 47 2HB GLU 47 -3.078 -9.392 19.835 370 HB3 GLU 47 1HB GLU 47 -4.068 -8.622 18.602 371 HG2 GLU 47 2HG GLU 47 -4.174 -8.156 21.577 372 HG3 GLU 47 1HG GLU 47 -3.590 -7.042 20.344 373 H ALA 48 H ALA 48 -3.409 -12.021 20.047 374 HA ALA 48 HA ALA 48 -3.083 -12.996 17.446 375 HB1 ALA 48 3HB ALA 48 -2.870 -14.591 20.005 376 HB2 ALA 48 1HB ALA 48 -1.604 -13.554 19.350 377 HB3 ALA 48 2HB ALA 48 -2.123 -14.981 18.456 378 H LEU 49 H LEU 49 -5.406 -13.927 19.954 379 HA LEU 49 HA LEU 49 -6.721 -15.942 18.441 380 HG LEU 49 HG LEU 49 -9.641 -15.161 19.657 381 HB2 LEU 49 2HB LEU 49 -6.945 -15.865 20.843 382 HB3 LEU 49 1HB LEU 49 -7.639 -14.257 20.775 383 HD11 LEU 49 1HD1 LEU 49 -9.991 -17.576 19.493 384 HD12 LEU 49 2HD1 LEU 49 -8.340 -17.860 20.050 385 HD13 LEU 49 3HD1 LEU 49 -8.628 -17.054 18.506 386 HD21 LEU 49 3HD2 LEU 49 -9.635 -14.961 22.082 387 HD22 LEU 49 1HD2 LEU 49 -8.933 -16.572 22.233 388 HD23 LEU 49 2HD2 LEU 49 -10.559 -16.375 21.582 389 H LYS 50 H LYS 50 -7.622 -12.561 19.138 390 HA LYS 50 HA LYS 50 -10.009 -12.376 17.775 391 HB2 LYS 50 2HB LYS 50 -7.872 -10.288 18.204 392 HB3 LYS 50 1HB LYS 50 -9.466 -9.915 17.562 393 HG2 LYS 50 2HG LYS 50 -10.529 -10.528 19.596 394 HG3 LYS 50 1HG LYS 50 -9.048 -11.257 20.224 395 HD2 LYS 50 2HD LYS 50 -9.492 -9.051 21.229 396 HD3 LYS 50 1HD LYS 50 -7.977 -9.080 20.326 397 HE2 LYS 50 2HE LYS 50 -9.207 -8.066 18.391 398 HE3 LYS 50 1HE LYS 50 -10.610 -7.894 19.444 399 HZ1 LYS 50 3HZ LYS 50 -7.945 -6.662 19.901 400 HZ2 LYS 50 1HZ LYS 50 -9.306 -6.472 20.892 401 HZ3 LYS 50 2HZ LYS 50 -9.312 -5.857 19.313 402 H ARG 51 H ARG 51 -6.750 -12.107 16.406 403 HA ARG 51 HA ARG 51 -7.624 -11.061 13.898 404 HE ARG 51 HE ARG 51 -2.963 -10.295 14.334 405 HB2 ARG 51 2HB ARG 51 -5.369 -11.241 13.181 406 HB3 ARG 51 1HB ARG 51 -5.323 -10.804 14.883 407 HG2 ARG 51 2HG ARG 51 -5.032 -13.326 15.314 408 HG3 ARG 51 1HG ARG 51 -4.644 -13.426 13.595 409 HD2 ARG 51 2HD ARG 51 -3.148 -12.069 15.807 410 HD3 ARG 51 1HD ARG 51 -2.547 -13.164 14.564 411 HH11 ARG 51 1HH1 ARG 51 -2.237 -13.245 12.707 412 HH12 ARG 51 2HH1 ARG 51 -1.583 -12.439 11.328 413 HH21 ARG 51 1HH2 ARG 51 -2.100 -9.284 12.585 414 HH22 ARG 51 2HH2 ARG 51 -1.489 -10.220 11.266 415 H HIS 52 H HIS 52 -8.197 -14.036 15.140 416 HA HIS 52 HA HIS 52 -8.128 -15.460 12.580 417 HD1 HIS 52 HD1 HIS 52 -6.336 -15.759 15.990 418 HD2 HIS 52 HD2 HIS 52 -6.897 -18.695 13.099 419 HE1 HIS 52 HE1 HIS 52 -4.143 -16.967 15.820 420 HE2 HIS 52 HE2 HIS 52 -4.588 -18.874 14.251 421 HB2 HIS 52 2HB HIS 52 -8.868 -16.310 15.386 422 HB3 HIS 52 1HB HIS 52 -9.126 -17.343 13.984 423 HA PRO 53 HA PRO 53 -12.189 -14.058 11.509 424 HB2 PRO 53 2HB PRO 53 -12.907 -16.067 9.775 425 HB3 PRO 53 1HB PRO 53 -11.795 -14.756 9.366 426 HG2 PRO 53 2HG PRO 53 -11.172 -17.555 10.256 427 HG3 PRO 53 1HG PRO 53 -10.438 -16.611 8.944 428 HD2 PRO 53 2HD PRO 53 -9.216 -16.871 11.317 429 HD3 PRO 53 1HD PRO 53 -9.145 -15.345 10.409 430 H ASP 54 H ASP 54 -11.706 -17.026 13.167 431 HA ASP 54 HA ASP 54 -14.593 -17.185 13.771 432 HB2 ASP 54 2HB ASP 54 -12.582 -19.433 13.545 433 HB3 ASP 54 1HB ASP 54 -14.229 -19.632 14.144 434 H ALA 55 H ALA 55 -12.403 -15.710 15.158 435 HA ALA 55 HA ALA 55 -11.949 -17.034 17.657 436 HB1 ALA 55 3HB ALA 55 -11.732 -14.090 17.021 437 HB2 ALA 55 1HB ALA 55 -10.453 -15.281 16.775 438 HB3 ALA 55 2HB ALA 55 -11.026 -14.927 18.405 439 H THR 56 H THR 56 -14.073 -14.346 16.671 440 HA THR 56 HA THR 56 -15.312 -13.686 19.009 441 HB THR 56 HB THR 56 -15.894 -12.389 17.145 442 HG1 THR 56 HG1 THR 56 -17.836 -12.198 17.954 443 HG21 THR 56 3HG2 THR 56 -17.038 -13.246 15.146 444 HG22 THR 56 1HG2 THR 56 -16.979 -14.878 15.812 445 HG23 THR 56 2HG2 THR 56 -15.482 -14.044 15.387 446 H SER 57 H SER 57 -16.326 -16.382 16.898 447 HA SER 57 HA SER 57 -18.597 -17.193 18.313 448 HG SER 57 HG SER 57 -19.367 -19.488 17.258 449 HB2 SER 57 2HB SER 57 -18.089 -18.092 16.104 450 HB3 SER 57 1HB SER 57 -16.646 -18.890 16.729 451 H LYS 58 H LYS 58 -15.203 -17.919 18.908 452 HA LYS 58 HA LYS 58 -15.930 -19.677 21.147 453 HB2 LYS 58 2HB LYS 58 -13.372 -19.325 19.583 454 HB3 LYS 58 1HB LYS 58 -13.428 -20.227 21.095 455 HG2 LYS 58 2HG LYS 58 -15.076 -21.756 20.138 456 HG3 LYS 58 1HG LYS 58 -15.060 -20.846 18.629 457 HD2 LYS 58 2HD LYS 58 -12.460 -21.891 19.647 458 HD3 LYS 58 1HD LYS 58 -13.608 -23.052 18.985 459 HE2 LYS 58 2HE LYS 58 -12.088 -22.332 17.250 460 HE3 LYS 58 1HE LYS 58 -13.707 -21.738 16.902 461 HZ1 LYS 58 3HZ LYS 58 -11.540 -20.127 18.136 462 HZ2 LYS 58 1HZ LYS 58 -13.072 -19.569 17.679 463 HZ3 LYS 58 2HZ LYS 58 -11.969 -20.081 16.504 464 H ILE 59 H ILE 59 -15.413 -16.477 20.767 465 HA ILE 59 HA ILE 59 -13.973 -16.072 23.274 466 HB ILE 59 HB ILE 59 -15.292 -14.087 21.402 467 HG12 ILE 59 2HG1 ILE 59 -12.379 -14.648 22.034 468 HG13 ILE 59 1HG1 ILE 59 -13.219 -15.120 20.562 469 HG21 ILE 59 1HG2 ILE 59 -14.269 -12.321 22.768 470 HG22 ILE 59 2HG2 ILE 59 -13.707 -13.536 23.919 471 HG23 ILE 59 3HG2 ILE 59 -15.437 -13.261 23.700 472 HD11 ILE 59 3HD1 ILE 59 -11.833 -13.162 20.204 473 HD12 ILE 59 1HD1 ILE 59 -12.711 -12.293 21.466 474 HD13 ILE 59 2HD1 ILE 59 -13.541 -12.776 19.984 475 H GLY 60 H GLY 60 -17.248 -15.549 21.994 476 HA2 GLY 60 2HA GLY 60 -19.302 -15.577 22.993 477 HA3 GLY 60 1HA GLY 60 -18.573 -16.640 24.177 478 HA PRO 61 HA PRO 61 -19.903 -13.382 26.926 479 HB2 PRO 61 2HB PRO 61 -19.202 -14.540 29.262 480 HB3 PRO 61 1HB PRO 61 -20.557 -15.127 28.290 481 HG2 PRO 61 2HG PRO 61 -17.750 -16.178 28.452 482 HG3 PRO 61 1HG PRO 61 -19.281 -17.077 28.477 483 HD2 PRO 61 2HD PRO 61 -17.762 -16.820 26.234 484 HD3 PRO 61 1HD PRO 61 -19.531 -16.965 26.185 485 H GLY 62 H GLY 62 -16.661 -14.160 26.305 486 HA2 GLY 62 2HA GLY 62 -15.239 -12.086 26.386 487 HA3 GLY 62 1HA GLY 62 -15.745 -11.946 28.058 488 H VAL 63 H VAL 63 -13.109 -11.898 27.575 489 HA VAL 63 HA VAL 63 -11.977 -14.575 27.754 490 HB VAL 63 HB VAL 63 -10.608 -11.873 27.794 491 HG11 VAL 63 1HG1 VAL 63 -9.439 -14.646 27.479 492 HG12 VAL 63 2HG1 VAL 63 -9.237 -13.580 28.870 493 HG13 VAL 63 3HG1 VAL 63 -8.549 -13.134 27.310 494 HG21 VAL 63 3HG2 VAL 63 -11.772 -12.314 25.678 495 HG22 VAL 63 1HG2 VAL 63 -10.932 -13.858 25.532 496 HG23 VAL 63 2HG2 VAL 63 -10.022 -12.348 25.464 497 H ARG 64 H ARG 64 -11.858 -15.590 29.667 498 HA ARG 64 HA ARG 64 -11.746 -14.161 32.177 499 HE ARG 64 HE ARG 64 -11.829 -16.382 36.222 500 HB2 ARG 64 2HB ARG 64 -12.814 -16.487 31.670 501 HB3 ARG 64 1HB ARG 64 -11.182 -17.109 31.841 502 HG2 ARG 64 2HG ARG 64 -12.562 -15.505 33.991 503 HG3 ARG 64 1HG ARG 64 -12.667 -17.260 33.879 504 HD2 ARG 64 2HD ARG 64 -10.203 -17.387 34.065 505 HD3 ARG 64 1HD ARG 64 -10.148 -15.634 34.251 506 HH11 ARG 64 1HH1 ARG 64 -8.709 -17.487 35.298 507 HH12 ARG 64 2HH1 ARG 64 -8.257 -17.921 36.907 508 HH21 ARG 64 1HH2 ARG 64 -11.246 -16.949 38.295 509 HH22 ARG 64 2HH2 ARG 64 -9.670 -17.603 38.585 510 H ASN 65 H ASN 65 -9.522 -16.575 30.712 511 HA ASN 65 HA ASN 65 -7.331 -14.780 30.656 512 HB2 ASN 65 2HB ASN 65 -5.843 -15.835 32.293 513 HB3 ASN 65 1HB ASN 65 -7.276 -15.190 33.080 514 HD21 ASN 65 1HD2 ASN 65 -6.836 -16.566 34.841 515 HD22 ASN 65 2HD2 ASN 65 -7.195 -18.258 34.773 516 H PHE 66 H PHE 66 -5.168 -16.306 30.468 517 HA PHE 66 HA PHE 66 -5.848 -18.557 28.679 518 HD1 PHE 66 HD1 PHE 66 -5.230 -14.821 28.030 519 HD2 PHE 66 HD2 PHE 66 -4.896 -18.337 25.642 520 HE1 PHE 66 HE1 PHE 66 -6.510 -13.727 26.239 521 HE2 PHE 66 HE2 PHE 66 -6.168 -17.242 23.845 522 HZ PHE 66 HZ PHE 66 -6.983 -14.934 24.142 523 HB2 PHE 66 2HB PHE 66 -3.554 -16.590 28.513 524 HB3 PHE 66 1HB PHE 66 -3.586 -18.101 27.612 525 H GLU 67 H GLU 67 -5.024 -20.504 29.200 526 HA GLU 67 HA GLU 67 -3.210 -20.635 31.526 527 HB2 GLU 67 2HB GLU 67 -5.392 -21.696 31.852 528 HB3 GLU 67 1HB GLU 67 -5.124 -22.713 30.443 529 HG2 GLU 67 2HG GLU 67 -3.264 -23.813 31.564 530 HG3 GLU 67 1HG GLU 67 -3.468 -22.761 32.964 531 H VAL 68 H VAL 68 -1.373 -21.882 31.515 532 HA VAL 68 HA VAL 68 -0.449 -22.864 28.894 533 HB VAL 68 HB VAL 68 1.151 -22.420 31.433 534 HG11 VAL 68 1HG1 VAL 68 3.106 -22.551 29.920 535 HG12 VAL 68 2HG1 VAL 68 2.024 -22.995 28.599 536 HG13 VAL 68 3HG1 VAL 68 2.195 -24.060 29.995 537 HG21 VAL 68 3HG2 VAL 68 1.998 -20.392 30.354 538 HG22 VAL 68 1HG2 VAL 68 0.253 -20.310 30.581 539 HG23 VAL 68 2HG2 VAL 68 0.920 -20.660 28.986 540 H ARG 69 H ARG 69 -1.279 -24.907 28.692 541 HA ARG 69 HA ARG 69 -1.123 -26.722 31.008 542 HE ARG 69 HE ARG 69 -5.050 -26.755 30.847 543 HB2 ARG 69 2HB ARG 69 -3.360 -26.222 30.011 544 HB3 ARG 69 1HB ARG 69 -2.825 -26.987 28.521 545 HG2 ARG 69 2HG ARG 69 -2.598 -29.113 29.650 546 HG3 ARG 69 1HG ARG 69 -3.001 -28.367 31.198 547 HD2 ARG 69 2HD ARG 69 -4.822 -28.544 28.792 548 HD3 ARG 69 1HD ARG 69 -4.924 -29.544 30.243 549 HH11 ARG 69 1HH1 ARG 69 -6.940 -29.431 29.761 550 HH12 ARG 69 2HH1 ARG 69 -8.427 -28.731 30.301 551 HH21 ARG 69 1HH2 ARG 69 -6.941 -25.886 31.531 552 HH22 ARG 69 2HH2 ARG 69 -8.426 -26.758 31.318 553 H SER 70 H SER 70 -0.637 -28.995 30.625 554 HA SER 70 HA SER 70 1.823 -29.390 29.391 555 HG SER 70 HG SER 70 0.266 -31.250 32.064 556 HB2 SER 70 2HB SER 70 -0.211 -31.540 30.040 557 HB3 SER 70 1HB SER 70 1.531 -31.757 29.866 558 H ALA 71 H ALA 71 2.528 -30.462 27.547 559 HA ALA 71 HA ALA 71 0.560 -31.364 25.575 560 HB1 ALA 71 3HB ALA 71 0.986 -29.002 25.033 561 HB2 ALA 71 1HB ALA 71 1.567 -30.083 23.766 562 HB3 ALA 71 2HB ALA 71 2.709 -29.352 24.895 563 H ASP 72 H ASP 72 1.270 -33.021 24.274 564 HA ASP 72 HA ASP 72 3.449 -34.587 25.176 565 HB2 ASP 72 2HB ASP 72 1.982 -34.842 22.542 566 HB3 ASP 72 1HB ASP 72 2.875 -36.105 23.384 567 H TYR 73 H TYR 73 3.480 -31.902 23.166 568 HA TYR 73 HA TYR 73 5.491 -32.758 21.281 569 HD1 TYR 73 HD2 TYR 73 2.129 -30.991 22.155 570 HD2 TYR 73 HD1 TYR 73 4.343 -31.284 18.525 571 HE1 TYR 73 HE2 TYR 73 0.056 -31.498 20.937 572 HE2 TYR 73 HE1 TYR 73 2.270 -31.793 17.302 573 HH TYR 73 HH TYR 73 0.022 -32.724 17.796 574 HB2 TYR 73 2HB TYR 73 4.446 -29.974 21.873 575 HB3 TYR 73 1HB TYR 73 5.401 -30.445 20.470 576 H GLY 74 H GLY 74 5.931 -32.410 24.402 577 HA2 GLY 74 2HA GLY 74 7.939 -32.147 25.576 578 HA3 GLY 74 1HA GLY 74 8.652 -31.393 24.158 579 H THR 75 H THR 75 6.622 -29.423 23.771 580 HA THR 75 HA THR 75 7.234 -27.542 25.920 581 HB THR 75 HB THR 75 6.273 -25.837 24.467 582 HG1 THR 75 HG1 THR 75 4.661 -26.575 23.269 583 HG21 THR 75 3HG2 THR 75 8.583 -26.458 24.009 584 HG22 THR 75 1HG2 THR 75 7.755 -26.064 22.503 585 HG23 THR 75 2HG2 THR 75 8.047 -27.748 22.933 586 H GLN 76 H GLN 76 4.966 -25.903 25.824 587 HA GLN 76 HA GLN 76 2.807 -27.669 26.805 588 HB2 GLN 76 2HB GLN 76 3.257 -24.763 27.526 589 HB3 GLN 76 1HB GLN 76 2.067 -25.847 28.225 590 HG2 GLN 76 2HG GLN 76 3.730 -25.749 29.836 591 HG3 GLN 76 1HG GLN 76 4.061 -27.258 28.992 592 HE21 GLN 76 1HE2 GLN 76 4.837 -24.032 27.804 593 HE22 GLN 76 2HE2 GLN 76 6.548 -24.227 27.877 594 H CYS 77 H CYS 77 0.651 -26.026 26.795 595 HA CYS 77 HA CYS 77 0.460 -24.806 24.124 596 HG CYS 77 HG CYS 77 -3.027 -24.843 23.952 597 HB2 CYS 77 2HB CYS 77 -0.419 -27.069 23.856 598 HB3 CYS 77 1HB CYS 77 -1.498 -26.840 25.228 599 H PHE 78 H PHE 78 -1.014 -23.119 23.936 600 HA PHE 78 HA PHE 78 -1.888 -21.902 26.419 601 HD1 PHE 78 HD2 PHE 78 -0.696 -19.781 26.785 602 HD2 PHE 78 HD1 PHE 78 -0.070 -20.533 22.636 603 HE1 PHE 78 HE2 PHE 78 1.578 -18.857 26.965 604 HE2 PHE 78 HE1 PHE 78 2.208 -19.616 22.811 605 HZ PHE 78 HZ PHE 78 3.034 -18.772 24.976 606 HB2 PHE 78 2HB PHE 78 -2.142 -20.966 23.551 607 HB3 PHE 78 1HB PHE 78 -2.623 -20.022 24.955 608 H TRP 79 H TRP 79 -3.894 -21.986 27.240 609 HA TRP 79 HA TRP 79 -6.068 -23.029 25.540 610 HD1 TRP 79 HD1 TRP 79 -3.518 -24.971 27.152 611 HE1 TRP 79 HE1 TRP 79 -3.708 -27.433 26.432 612 HE3 TRP 79 HE3 TRP 79 -8.613 -25.430 27.145 613 HZ2 TRP 79 HZ2 TRP 79 -5.745 -29.326 25.935 614 HZ3 TRP 79 HZ3 TRP 79 -9.604 -27.603 26.545 615 HH2 TRP 79 HH2 TRP 79 -8.194 -29.511 25.952 616 HB2 TRP 79 2HB TRP 79 -5.499 -23.403 28.474 617 HB3 TRP 79 1HB TRP 79 -7.116 -23.652 27.822 618 H ILE 80 H ILE 80 -7.893 -21.948 25.333 619 HA ILE 80 HA ILE 80 -8.112 -19.237 26.330 620 HB ILE 80 HB ILE 80 -9.968 -20.810 24.521 621 HG12 ILE 80 2HG1 ILE 80 -7.813 -18.812 23.771 622 HG13 ILE 80 1HG1 ILE 80 -7.670 -20.560 23.602 623 HG21 ILE 80 1HG2 ILE 80 -11.097 -18.927 25.557 624 HG22 ILE 80 2HG2 ILE 80 -10.831 -18.607 23.843 625 HG23 ILE 80 3HG2 ILE 80 -9.800 -17.842 25.053 626 HD11 ILE 80 3HD1 ILE 80 -8.211 -19.525 21.480 627 HD12 ILE 80 1HD1 ILE 80 -9.660 -18.802 22.177 628 HD13 ILE 80 2HD1 ILE 80 -9.536 -20.554 22.019 629 H LEU 81 H LEU 81 -8.798 -19.153 28.445 630 HA LEU 81 HA LEU 81 -10.959 -20.866 29.377 631 HG LEU 81 HG LEU 81 -8.615 -20.575 32.261 632 HB2 LEU 81 2HB LEU 81 -9.259 -18.771 30.725 633 HB3 LEU 81 1HB LEU 81 -10.648 -19.482 31.521 634 HD11 LEU 81 1HD1 LEU 81 -9.184 -22.905 31.747 635 HD12 LEU 81 2HD1 LEU 81 -10.263 -22.352 30.465 636 HD13 LEU 81 3HD1 LEU 81 -10.606 -21.942 32.146 637 HD21 LEU 81 3HD2 LEU 81 -7.210 -21.866 30.729 638 HD22 LEU 81 1HD2 LEU 81 -7.202 -20.150 30.321 639 HD23 LEU 81 2HD2 LEU 81 -8.157 -21.281 29.361 640 H ARG 82 H ARG 82 -13.042 -20.341 29.451 641 HA ARG 82 HA ARG 82 -13.849 -17.585 28.775 642 HE ARG 82 HE ARG 82 -12.439 -18.273 27.061 643 HB2 ARG 82 2HB ARG 82 -15.467 -20.148 28.705 644 HB3 ARG 82 1HB ARG 82 -16.041 -18.563 28.211 645 HG2 ARG 82 2HG ARG 82 -13.819 -20.121 26.890 646 HG3 ARG 82 1HG ARG 82 -15.472 -19.976 26.298 647 HD2 ARG 82 2HD ARG 82 -14.271 -18.411 25.040 648 HD3 ARG 82 1HD ARG 82 -15.051 -17.443 26.290 649 HH11 ARG 82 1HH1 ARG 82 -14.182 -15.934 25.249 650 HH12 ARG 82 2HH1 ARG 82 -12.871 -14.811 25.228 651 HH21 ARG 82 1HH2 ARG 82 -10.767 -16.835 27.056 652 HH22 ARG 82 2HH2 ARG 82 -10.936 -15.328 26.231 653 H THR 83 H THR 83 -15.279 -16.431 30.079 654 HA THR 83 HA THR 83 -15.278 -16.825 32.843 655 HB THR 83 HB THR 83 -17.164 -15.201 32.934 656 HG1 THR 83 HG1 THR 83 -18.335 -14.810 31.192 657 HG21 THR 83 3HG2 THR 83 -14.854 -14.376 32.715 658 HG22 THR 83 1HG2 THR 83 -15.992 -13.323 31.873 659 HG23 THR 83 2HG2 THR 83 -14.993 -14.453 30.957 660 H ASP 84 H ASP 84 -17.547 -17.925 30.401 661 HA ASP 84 HA ASP 84 -19.626 -18.901 31.957 662 HB2 ASP 84 2HB ASP 84 -19.965 -18.870 29.633 663 HB3 ASP 84 1HB ASP 84 -18.463 -19.728 29.307 664 H GLY 85 H GLY 85 -16.831 -20.798 30.743 665 HA2 GLY 85 2HA GLY 85 -15.953 -22.178 32.825 666 HA3 GLY 85 1HA GLY 85 -17.511 -22.958 32.608 667 H SER 86 H SER 86 -17.420 -22.724 29.673 668 HA SER 86 HA SER 86 -15.967 -25.151 29.125 669 HG SER 86 HG SER 86 -19.143 -24.363 27.616 670 HB2 SER 86 2HB SER 86 -17.377 -23.269 27.207 671 HB3 SER 86 1HB SER 86 -16.796 -24.887 26.813 672 H GLU 87 H GLU 87 -13.794 -25.159 28.888 673 HA GLU 87 HA GLU 87 -12.456 -22.838 27.715 674 HB2 GLU 87 2HB GLU 87 -10.361 -23.844 28.415 675 HB3 GLU 87 1HB GLU 87 -11.489 -23.797 29.759 676 HG2 GLU 87 2HG GLU 87 -11.125 -26.274 28.095 677 HG3 GLU 87 1HG GLU 87 -10.055 -25.894 29.441 678 H GLU 88 H GLU 88 -10.935 -23.017 26.002 679 HA GLU 88 HA GLU 88 -11.198 -25.358 24.231 680 HB2 GLU 88 2HB GLU 88 -12.857 -23.717 23.466 681 HB3 GLU 88 1HB GLU 88 -11.628 -22.465 23.405 682 HG2 GLU 88 2HG GLU 88 -12.104 -23.222 21.183 683 HG3 GLU 88 1HG GLU 88 -10.472 -23.718 21.621 684 H ARG 89 H ARG 89 -9.462 -25.453 22.582 685 HA ARG 89 HA ARG 89 -7.043 -23.953 23.400 686 HE ARG 89 HE ARG 89 -7.918 -29.944 21.902 687 HB2 ARG 89 2HB ARG 89 -5.741 -25.872 22.496 688 HB3 ARG 89 1HB ARG 89 -6.756 -26.302 23.866 689 HG2 ARG 89 2HG ARG 89 -8.358 -27.369 22.436 690 HG3 ARG 89 1HG ARG 89 -7.536 -26.778 20.991 691 HD2 ARG 89 2HD ARG 89 -5.623 -28.162 21.439 692 HD3 ARG 89 1HD ARG 89 -6.266 -28.625 23.013 693 HH11 ARG 89 1HH1 ARG 89 -5.569 -28.625 19.741 694 HH12 ARG 89 2HH1 ARG 89 -5.802 -29.880 18.574 695 HH21 ARG 89 1HH2 ARG 89 -8.202 -31.526 20.382 696 HH22 ARG 89 2HH2 ARG 89 -7.264 -31.490 18.929 697 H PHE 90 H PHE 90 -5.532 -23.346 21.711 698 HA PHE 90 HA PHE 90 -6.510 -23.562 18.959 699 HD1 PHE 90 HD1 PHE 90 -6.164 -21.115 22.204 700 HD2 PHE 90 HD2 PHE 90 -4.489 -19.730 18.537 701 HE1 PHE 90 HE1 PHE 90 -4.759 -19.521 23.446 702 HE2 PHE 90 HE2 PHE 90 -3.081 -18.140 19.776 703 HZ PHE 90 HZ PHE 90 -3.216 -18.030 22.232 704 HB2 PHE 90 2HB PHE 90 -6.249 -21.224 18.467 705 HB3 PHE 90 1HB PHE 90 -7.313 -21.377 19.857 706 H SER 91 H SER 91 -4.952 -24.315 17.703 707 HA SER 91 HA SER 91 -2.207 -24.405 18.517 708 HG SER 91 HG SER 91 -2.505 -27.132 17.290 709 HB2 SER 91 2HB SER 91 -3.467 -25.058 15.835 710 HB3 SER 91 1HB SER 91 -1.805 -25.430 16.290 711 H TYR 92 H TYR 92 -1.319 -22.387 18.715 712 HA TYR 92 HA TYR 92 -1.826 -20.160 17.142 713 HD1 TYR 92 HD1 TYR 92 0.217 -22.153 20.266 714 HD2 TYR 92 HD2 TYR 92 2.383 -19.871 17.391 715 HE1 TYR 92 HE1 TYR 92 2.271 -23.380 20.841 716 HE2 TYR 92 HE2 TYR 92 4.435 -21.097 17.958 717 HH TYR 92 HH TYR 92 5.379 -22.394 19.722 718 HB2 TYR 92 2HB TYR 92 0.175 -19.164 18.110 719 HB3 TYR 92 1HB TYR 92 -0.710 -20.060 19.335 720 H LYS 93 H LYS 93 0.332 -22.826 16.455 721 HA LYS 93 HA LYS 93 1.897 -21.449 14.506 722 HB2 LYS 93 2HB LYS 93 2.804 -23.650 13.919 723 HB3 LYS 93 1HB LYS 93 2.815 -23.375 15.650 724 HG2 LYS 93 2HG LYS 93 2.118 -25.555 15.553 725 HG3 LYS 93 1HG LYS 93 0.566 -24.717 15.594 726 HD2 LYS 93 2HD LYS 93 0.299 -24.973 13.209 727 HD3 LYS 93 1HD LYS 93 1.935 -25.618 13.048 728 HE2 LYS 93 2HE LYS 93 -0.315 -26.933 14.578 729 HE3 LYS 93 1HE LYS 93 0.196 -27.370 12.949 730 HZ1 LYS 93 3HZ LYS 93 1.147 -28.840 14.605 731 HZ2 LYS 93 1HZ LYS 93 1.884 -27.538 15.385 732 HZ3 LYS 93 2HZ LYS 93 2.363 -27.969 13.823 733 H LYS 94 H LYS 94 -1.200 -23.012 14.377 734 HA LYS 94 HA LYS 94 -1.212 -23.056 11.460 735 HB2 LYS 94 2HB LYS 94 -3.165 -23.964 13.559 736 HB3 LYS 94 1HB LYS 94 -3.711 -23.717 11.906 737 HG2 LYS 94 2HG LYS 94 -1.510 -25.589 12.777 738 HG3 LYS 94 1HG LYS 94 -3.149 -26.055 12.316 739 HD2 LYS 94 2HD LYS 94 -2.754 -25.140 10.056 740 HD3 LYS 94 1HD LYS 94 -1.107 -24.714 10.521 741 HE2 LYS 94 2HE LYS 94 -0.666 -27.122 10.964 742 HE3 LYS 94 1HE LYS 94 -2.283 -27.493 10.364 743 HZ1 LYS 94 3HZ LYS 94 -0.104 -26.205 8.807 744 HZ2 LYS 94 1HZ LYS 94 -1.657 -26.539 8.228 745 HZ3 LYS 94 2HZ LYS 94 -0.622 -27.807 8.647 746 H CYS 95 H CYS 95 -0.698 -20.630 11.810 747 HA CYS 95 HA CYS 95 -3.184 -19.200 11.181 748 HG CYS 95 HG CYS 95 -2.742 -16.270 11.297 749 HB2 CYS 95 2HB CYS 95 -2.684 -18.743 13.569 750 HB3 CYS 95 1HB CYS 95 -1.100 -18.133 13.105 751 H VAL 96 H VAL 96 -0.495 -20.211 9.928 752 HA VAL 96 HA VAL 96 0.727 -17.756 9.009 753 HB VAL 96 HB VAL 96 1.321 -20.611 8.192 754 HG11 VAL 96 1HG1 VAL 96 2.068 -19.026 6.492 755 HG12 VAL 96 2HG1 VAL 96 3.453 -19.700 7.348 756 HG13 VAL 96 3HG1 VAL 96 2.897 -18.068 7.718 757 HG21 VAL 96 3HG2 VAL 96 2.735 -18.811 10.169 758 HG22 VAL 96 1HG2 VAL 96 3.223 -20.447 9.717 759 HG23 VAL 96 2HG2 VAL 96 1.707 -20.187 10.583 760 H LEU 97 H LEU 97 0.084 -20.449 6.816 761 HA LEU 97 HA LEU 97 -1.730 -18.863 5.183 762 HG LEU 97 HG LEU 97 0.916 -17.373 5.207 763 HB2 LEU 97 2HB LEU 97 1.041 -19.657 4.267 764 HB3 LEU 97 1HB LEU 97 -0.247 -19.259 3.146 765 HD11 LEU 97 1HD1 LEU 97 1.272 -17.499 2.211 766 HD12 LEU 97 2HD1 LEU 97 2.506 -17.836 3.429 767 HD13 LEU 97 3HD1 LEU 97 1.858 -16.203 3.258 768 HD21 LEU 97 3HD2 LEU 97 -1.111 -16.901 3.016 769 HD22 LEU 97 1HD2 LEU 97 -0.411 -15.664 4.062 770 HD23 LEU 97 2HD2 LEU 97 -1.441 -16.920 4.748 771 H GLU 98 H GLU 98 -2.835 -20.062 3.616 772 HA GLU 98 HA GLU 98 -2.384 -22.978 3.641 773 HB2 GLU 98 2HB GLU 98 -4.915 -21.414 3.058 774 HB3 GLU 98 1HB GLU 98 -4.762 -23.157 2.862 775 HG2 GLU 98 2HG GLU 98 -4.299 -23.382 5.262 776 HG3 GLU 98 1HG GLU 98 -4.460 -21.639 5.457 777 H HIS 99 H HIS 99 -0.755 -22.861 2.050 778 HA HIS 99 HA HIS 99 -1.423 -21.638 -0.541 779 HD1 HIS 99 HD1 HIS 99 -0.098 -19.965 -1.890 780 HD2 HIS 99 HD2 HIS 99 2.983 -22.734 -1.598 781 HE1 HIS 99 HE1 HIS 99 1.246 -19.692 -3.986 782 HE2 HIS 99 HE2 HIS 99 3.219 -21.217 -3.683 783 HB2 HIS 99 2HB HIS 99 0.668 -20.982 0.673 784 HB3 HIS 99 1HB HIS 99 1.255 -22.628 0.482 785 H HIS 100 H HIS 100 -1.838 -22.855 -2.312 786 HA HIS 100 HA HIS 100 -1.932 -25.725 -2.069 787 HD1 HIS 100 HD1 HIS 100 -3.354 -22.003 -3.764 788 HD2 HIS 100 HD2 HIS 100 -1.643 -24.596 -6.529 789 HE1 HIS 100 HE1 HIS 100 -2.789 -20.591 -5.761 790 HE2 HIS 100 HE2 HIS 100 -1.850 -22.194 -7.454 791 HB2 HIS 100 2HB HIS 100 -2.934 -25.690 -4.312 792 HB3 HIS 100 1HB HIS 100 -3.714 -24.535 -3.239 793 H HIS 101 H HIS 101 0.700 -24.934 -1.844 794 HA HIS 101 HA HIS 101 1.940 -26.727 -3.663 795 HD1 HIS 101 HD1 HIS 101 5.296 -24.275 -3.692 796 HD2 HIS 101 HD2 HIS 101 3.401 -26.533 -6.623 797 HE1 HIS 101 HE1 HIS 101 7.137 -25.302 -5.048 798 HE2 HIS 101 HE2 HIS 101 5.965 -26.502 -6.918 799 HB2 HIS 101 2HB HIS 101 1.873 -24.714 -5.123 800 HB3 HIS 101 1HB HIS 101 2.761 -23.812 -3.901 801 H HIS 102 H HIS 102 2.947 -27.806 -2.065 802 HA HIS 102 HA HIS 102 3.747 -26.454 0.345 803 HD1 HIS 102 HD1 HIS 102 2.930 -28.261 2.913 804 HD2 HIS 102 HD2 HIS 102 0.937 -29.089 -0.638 805 HE1 HIS 102 HE1 HIS 102 0.507 -28.462 3.531 806 HE2 HIS 102 HE2 HIS 102 -0.687 -28.699 1.337 807 HB2 HIS 102 2HB HIS 102 3.784 -29.339 -0.519 808 HB3 HIS 102 1HB HIS 102 4.497 -28.820 1.006 809 H HIS 103 H HIS 103 5.832 -26.877 1.403 810 HA HIS 103 HA HIS 103 8.082 -26.510 -0.432 811 HD1 HIS 103 HD1 HIS 103 9.118 -23.638 0.349 812 HD2 HIS 103 HD2 HIS 103 5.970 -24.566 2.897 813 HE1 HIS 103 HE1 HIS 103 7.862 -21.494 0.674 814 HE2 HIS 103 HE2 HIS 103 6.080 -22.039 2.360 815 HB2 HIS 103 2HB HIS 103 8.028 -26.436 2.604 816 HB3 HIS 103 1HB HIS 103 9.365 -25.937 1.574 817 H HIS 104 H HIS 104 10.209 -27.657 0.509 818 HA HIS 104 HA HIS 104 9.537 -30.475 1.095 819 HD1 HIS 104 HD1 HIS 104 9.925 -28.679 -2.443 820 HD2 HIS 104 HD2 HIS 104 9.818 -32.687 -1.369 821 HE1 HIS 104 HE1 HIS 104 8.452 -29.792 -4.140 822 HE2 HIS 104 HE2 HIS 104 8.496 -32.229 -3.538 823 HB2 HIS 104 2HB HIS 104 11.729 -29.381 -0.678 824 HB3 HIS 104 1HB HIS 104 11.685 -31.051 -0.118
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