NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
587268 | 2msw | 25137 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 -15.364 -4.074 2.363 2 H2 GLY 1 HT2 GLY 1 -15.311 -3.935 4.046 3 H3 GLY 1 HT3 GLY 1 -14.294 -2.984 3.090 4 HA2 GLY 1 HA1 GLY 1 -17.251 -2.822 3.218 5 HA3 GLY 1 HA2 GLY 1 -16.125 -1.668 3.914 6 H ALA 2 HN ALA 2 -17.784 -2.683 1.097 7 HA ALA 2 HA ALA 2 -16.424 -0.610 -0.492 8 HB1 ALA 2 HB1 ALA 2 -18.128 -2.916 -1.442 9 HB2 ALA 2 HB2 ALA 2 -16.366 -2.854 -1.478 10 HB3 ALA 2 HB3 ALA 2 -17.308 -1.739 -2.468 11 H MET 3 HN MET 3 -19.198 -1.258 1.272 12 HA MET 3 HA MET 3 -20.988 0.357 -0.333 13 HB2 MET 3 HB2 MET 3 -21.319 -0.903 2.393 14 HB3 MET 3 HB1 MET 3 -22.578 0.003 1.568 15 HG2 MET 3 HG2 MET 3 -22.574 -1.614 -0.248 16 HG3 MET 3 HG1 MET 3 -21.284 -2.513 0.546 17 HE1 MET 3 HE1 MET 3 -25.611 -2.154 2.103 18 HE2 MET 3 HE2 MET 3 -25.021 -1.455 0.596 19 HE3 MET 3 HE3 MET 3 -24.493 -0.792 2.142 20 H GLY 4 HN GLY 4 -18.695 0.795 2.117 21 HA2 GLY 4 HA2 GLY 4 -19.460 3.631 2.274 22 HA3 GLY 4 HA1 GLY 4 -18.952 2.755 3.712 23 H MET 5 HN MET 5 -17.106 3.898 4.134 24 HA MET 5 HA MET 5 -15.121 4.259 2.075 25 HB2 MET 5 HB2 MET 5 -15.190 4.928 4.997 26 HB3 MET 5 HB1 MET 5 -13.776 5.174 3.986 27 HG2 MET 5 HG2 MET 5 -15.079 7.203 4.318 28 HG3 MET 5 HG1 MET 5 -14.946 6.760 2.627 29 HE1 MET 5 HE1 MET 5 -16.973 5.722 1.223 30 HE2 MET 5 HE2 MET 5 -16.830 7.479 1.253 31 HE3 MET 5 HE3 MET 5 -18.415 6.721 1.400 32 HA PRO 6 HA PRO 6 -13.091 0.354 3.040 33 HB2 PRO 6 HB2 PRO 6 -11.087 1.403 1.158 34 HB3 PRO 6 HB1 PRO 6 -12.039 -0.079 1.064 35 HG2 PRO 6 HG2 PRO 6 -12.537 1.971 -0.557 36 HG3 PRO 6 HG1 PRO 6 -13.857 0.991 0.103 37 HD2 PRO 6 HD2 PRO 6 -12.842 3.663 1.022 38 HD3 PRO 6 HD1 PRO 6 -14.517 3.137 0.770 39 H LYS 7 HN LYS 7 -11.377 -0.189 4.350 40 HA LYS 7 HA LYS 7 -9.929 2.025 5.570 41 HB2 LYS 7 HB2 LYS 7 -11.036 0.139 6.875 42 HB3 LYS 7 HB1 LYS 7 -9.756 -0.905 6.276 43 HG2 LYS 7 HG2 LYS 7 -9.236 -0.162 8.505 44 HG3 LYS 7 HG1 LYS 7 -8.093 0.545 7.362 45 HD2 LYS 7 HD2 LYS 7 -9.172 2.658 7.457 46 HD3 LYS 7 HD1 LYS 7 -10.554 1.988 8.322 47 HE2 LYS 7 HE2 LYS 7 -9.072 1.490 10.231 48 HE3 LYS 7 HE1 LYS 7 -7.738 2.249 9.366 49 HZ1 LYS 7 HZ1 LYS 7 -10.254 3.617 10.158 50 HZ2 LYS 7 HZ2 LYS 7 -8.920 4.335 9.402 51 HZ3 LYS 7 HZ3 LYS 7 -8.781 3.743 10.975 52 H VAL 8 HN VAL 8 -8.184 2.680 4.525 53 HA VAL 8 HA VAL 8 -6.592 0.756 2.984 54 HB VAL 8 HB VAL 8 -6.554 3.780 2.938 55 HG11 VAL 8 HG11 VAL 8 -5.302 1.823 1.012 56 HG12 VAL 8 HG12 VAL 8 -4.428 2.742 2.239 57 HG13 VAL 8 HG13 VAL 8 -5.240 3.586 0.919 58 HG21 VAL 8 HG21 VAL 8 -8.684 2.829 2.158 59 HG22 VAL 8 HG22 VAL 8 -7.801 1.861 0.974 60 HG23 VAL 8 HG23 VAL 8 -7.788 3.622 0.861 61 H LEU 9 HN LEU 9 -4.515 0.308 3.481 62 HA LEU 9 HA LEU 9 -3.269 1.815 5.676 63 HB2 LEU 9 HB2 LEU 9 -3.541 -0.513 6.225 64 HB3 LEU 9 HB1 LEU 9 -2.813 -1.006 4.710 65 HG LEU 9 HG LEU 9 -0.652 -0.124 5.438 66 HD11 LEU 9 HD11 LEU 9 -0.346 0.695 7.713 67 HD12 LEU 9 HD12 LEU 9 -2.076 0.528 8.017 68 HD13 LEU 9 HD13 LEU 9 -1.498 1.703 6.837 69 HD21 LEU 9 HD21 LEU 9 -1.149 -2.431 5.943 70 HD22 LEU 9 HD22 LEU 9 -1.969 -1.957 7.430 71 HD23 LEU 9 HD23 LEU 9 -0.231 -1.713 7.268 72 H VAL 10 HN VAL 10 -1.771 3.217 5.043 73 HA VAL 10 HA VAL 10 -0.412 2.770 2.487 74 HB VAL 10 HB VAL 10 -0.875 5.264 4.110 75 HG11 VAL 10 HG11 VAL 10 0.973 5.011 1.730 76 HG12 VAL 10 HG12 VAL 10 1.488 5.284 3.394 77 HG13 VAL 10 HG13 VAL 10 0.534 6.507 2.555 78 HG21 VAL 10 HG21 VAL 10 -1.833 6.048 1.985 79 HG22 VAL 10 HG22 VAL 10 -2.626 4.586 2.572 80 HG23 VAL 10 HG23 VAL 10 -1.457 4.485 1.256 81 H LEU 11 HN LEU 11 1.507 1.990 2.488 82 HA LEU 11 HA LEU 11 3.304 2.382 4.768 83 HB2 LEU 11 HB2 LEU 11 2.904 0.256 2.821 84 HB3 LEU 11 HB1 LEU 11 4.585 0.761 2.887 85 HG LEU 11 HG LEU 11 4.260 -1.112 4.368 86 HD11 LEU 11 HD11 LEU 11 4.469 1.468 5.949 87 HD12 LEU 11 HD12 LEU 11 5.795 0.654 5.119 88 HD13 LEU 11 HD13 LEU 11 5.001 -0.129 6.483 89 HD21 LEU 11 HD21 LEU 11 1.813 -0.747 4.635 90 HD22 LEU 11 HD22 LEU 11 2.164 0.571 5.755 91 HD23 LEU 11 HD23 LEU 11 2.645 -1.077 6.149 92 H GLU 12 HN GLU 12 4.332 4.243 4.552 93 HA GLU 12 HA GLU 12 5.972 4.745 2.254 94 HB2 GLU 12 HB2 GLU 12 3.751 5.515 1.431 95 HB3 GLU 12 HB1 GLU 12 3.662 6.631 2.786 96 HG2 GLU 12 HG2 GLU 12 4.317 7.771 0.769 97 HG3 GLU 12 HG1 GLU 12 5.632 7.794 1.941 98 H ASP 13 HN ASP 13 7.770 5.362 3.223 99 HA ASP 13 HA ASP 13 7.684 6.725 5.778 100 HB2 ASP 13 HB2 ASP 13 9.333 4.931 5.388 101 HB3 ASP 13 HB1 ASP 13 10.058 5.879 4.100 102 H GLU 14 HN GLU 14 7.764 7.558 2.505 103 HA GLU 14 HA GLU 14 8.940 10.183 2.917 104 HB2 GLU 14 HB2 GLU 14 7.470 9.076 0.509 105 HB3 GLU 14 HB1 GLU 14 8.425 10.550 0.554 106 HG2 GLU 14 HG2 GLU 14 10.431 9.205 1.037 107 HG3 GLU 14 HG1 GLU 14 9.456 7.743 0.906 108 HA PRO 15 HA PRO 15 4.921 11.167 4.714 109 HB2 PRO 15 HB2 PRO 15 6.125 13.820 5.058 110 HB3 PRO 15 HB1 PRO 15 5.396 12.749 6.252 111 HG2 PRO 15 HG2 PRO 15 8.043 13.090 6.159 112 HG3 PRO 15 HG1 PRO 15 7.337 11.500 6.510 113 HD2 PRO 15 HD2 PRO 15 8.502 12.535 3.952 114 HD3 PRO 15 HD1 PRO 15 8.686 10.939 4.710 115 H LEU 16 HN LEU 16 6.527 13.185 2.300 116 HA LEU 16 HA LEU 16 4.285 14.784 1.671 117 HB2 LEU 16 HB2 LEU 16 6.666 15.204 0.980 118 HB3 LEU 16 HB1 LEU 16 6.481 13.930 -0.199 119 HG LEU 16 HG LEU 16 6.260 16.359 -0.987 120 HD11 LEU 16 HD11 LEU 16 4.533 15.780 -2.626 121 HD12 LEU 16 HD12 LEU 16 4.115 14.360 -1.669 122 HD13 LEU 16 HD13 LEU 16 5.709 14.484 -2.413 123 HD21 LEU 16 HD21 LEU 16 3.517 16.003 0.201 124 HD22 LEU 16 HD22 LEU 16 4.065 17.359 -0.785 125 HD23 LEU 16 HD23 LEU 16 4.765 17.090 0.811 126 H ILE 17 HN ILE 17 5.555 11.820 0.213 127 HA ILE 17 HA ILE 17 3.426 11.402 -1.584 128 HB ILE 17 HB ILE 17 5.371 9.443 -0.360 129 HG12 ILE 17 HG12 ILE 17 5.350 10.906 -2.998 130 HG13 ILE 17 HG11 ILE 17 6.426 11.198 -1.651 131 HG21 ILE 17 HG21 ILE 17 3.393 9.122 -2.586 132 HG22 ILE 17 HG22 ILE 17 3.589 8.128 -1.135 133 HG23 ILE 17 HG23 ILE 17 4.809 8.092 -2.408 134 HD11 ILE 17 HD11 ILE 17 7.527 9.953 -3.413 135 HD12 ILE 17 HD12 ILE 17 6.314 8.684 -3.274 136 HD13 ILE 17 HD13 ILE 17 7.411 9.004 -1.933 137 H ALA 18 HN ALA 18 4.063 10.155 1.683 138 HA ALA 18 HA ALA 18 1.879 8.443 1.911 139 HB1 ALA 18 HB1 ALA 18 2.175 8.579 4.292 140 HB2 ALA 18 HB2 ALA 18 3.070 10.094 4.138 141 HB3 ALA 18 HB3 ALA 18 3.763 8.594 3.521 142 H MET 19 HN MET 19 2.126 11.859 2.868 143 HA MET 19 HA MET 19 -0.512 12.220 3.676 144 HB2 MET 19 HB2 MET 19 1.400 13.776 4.066 145 HB3 MET 19 HB1 MET 19 1.302 14.243 2.375 146 HG2 MET 19 HG2 MET 19 -1.007 14.998 2.755 147 HG3 MET 19 HG1 MET 19 -0.811 14.618 4.461 148 HE1 MET 19 HE1 MET 19 1.584 17.892 2.253 149 HE2 MET 19 HE2 MET 19 0.347 16.893 1.489 150 HE3 MET 19 HE3 MET 19 1.869 16.170 2.008 151 H ASN 20 HN ASN 20 1.002 12.562 0.495 152 HA ASN 20 HA ASN 20 -1.250 13.629 -0.823 153 HB2 ASN 20 HB2 ASN 20 1.400 12.578 -1.552 154 HB3 ASN 20 HB1 ASN 20 0.184 12.437 -2.796 155 HD21 ASN 20 HD21 ASN 20 2.106 14.577 -0.929 156 HD22 ASN 20 HD22 ASN 20 1.748 16.005 -1.837 157 H LEU 21 HN LEU 21 -0.023 10.318 -0.456 158 HA LEU 21 HA LEU 21 -2.004 9.036 -1.966 159 HB2 LEU 21 HB2 LEU 21 -0.263 8.180 0.319 160 HB3 LEU 21 HB1 LEU 21 -1.444 7.094 -0.372 161 HG LEU 21 HG LEU 21 0.716 8.414 -1.999 162 HD11 LEU 21 HD11 LEU 21 0.717 5.668 -0.760 163 HD12 LEU 21 HD12 LEU 21 1.735 7.023 -0.271 164 HD13 LEU 21 HD13 LEU 21 1.923 6.312 -1.873 165 HD21 LEU 21 HD21 LEU 21 -1.217 7.648 -3.242 166 HD22 LEU 21 HD22 LEU 21 -1.090 6.058 -2.492 167 HD23 LEU 21 HD23 LEU 21 0.179 6.623 -3.579 168 H GLN 22 HN GLN 22 -1.854 9.936 1.448 169 HA GLN 22 HA GLN 22 -4.247 8.768 2.265 170 HB2 GLN 22 HB2 GLN 22 -2.356 10.099 3.582 171 HB3 GLN 22 HB1 GLN 22 -3.500 11.421 3.396 172 HG2 GLN 22 HG2 GLN 22 -5.226 9.734 4.307 173 HG3 GLN 22 HG1 GLN 22 -3.808 8.854 4.871 174 HE21 GLN 22 HE21 GLN 22 -5.788 11.640 5.236 175 HE22 GLN 22 HE22 GLN 22 -5.094 12.172 6.731 176 H TYR 23 HN TYR 23 -3.639 12.088 1.117 177 HA TYR 23 HA TYR 23 -6.269 12.997 1.026 178 HB2 TYR 23 HB2 TYR 23 -3.785 13.687 -0.483 179 HB3 TYR 23 HB1 TYR 23 -5.318 14.348 -1.033 180 HD1 TYR 23 HD2 TYR 23 -6.670 15.743 0.565 181 HD2 TYR 23 HD1 TYR 23 -2.648 14.625 1.359 182 HE1 TYR 23 HE2 TYR 23 -6.499 17.561 2.217 183 HE2 TYR 23 HE1 TYR 23 -2.463 16.438 3.009 184 HH TYR 23 HH TYR 23 -5.191 18.198 4.123 185 H ALA 24 HN ALA 24 -4.490 10.967 -1.214 186 HA ALA 24 HA ALA 24 -6.292 11.225 -3.395 187 HB1 ALA 24 HB1 ALA 24 -3.952 10.543 -3.671 188 HB2 ALA 24 HB2 ALA 24 -5.065 9.372 -4.376 189 HB3 ALA 24 HB3 ALA 24 -4.299 9.037 -2.824 190 H PHE 25 HN PHE 25 -5.779 8.656 -0.987 191 HA PHE 25 HA PHE 25 -7.894 7.025 -1.897 192 HB2 PHE 25 HB2 PHE 25 -6.340 7.175 0.667 193 HB3 PHE 25 HB1 PHE 25 -7.714 6.089 0.517 194 HD1 PHE 25 HD2 PHE 25 -7.684 4.326 -1.239 195 HD2 PHE 25 HD1 PHE 25 -4.233 6.614 -0.260 196 HE1 PHE 25 HE2 PHE 25 -6.265 2.626 -2.293 197 HE2 PHE 25 HE1 PHE 25 -2.800 4.907 -1.324 198 HZ PHE 25 HZ PHE 25 -3.820 2.914 -2.338 199 H GLU 26 HN GLU 26 -7.722 9.489 0.660 200 HA GLU 26 HA GLU 26 -10.370 9.208 1.566 201 HB2 GLU 26 HB2 GLU 26 -8.558 11.623 1.551 202 HB3 GLU 26 HB1 GLU 26 -10.107 11.565 2.380 203 HG2 GLU 26 HG2 GLU 26 -9.293 9.734 3.775 204 HG3 GLU 26 HG1 GLU 26 -7.739 9.793 2.942 205 H ASP 27 HN ASP 27 -8.979 10.992 -1.113 206 HA ASP 27 HA ASP 27 -11.287 12.487 -1.779 207 HB2 ASP 27 HB2 ASP 27 -8.981 13.022 -2.559 208 HB3 ASP 27 HB1 ASP 27 -9.064 11.619 -3.612 209 H GLU 28 HN GLU 28 -10.187 9.259 -2.573 210 HA GLU 28 HA GLU 28 -12.209 8.827 -4.579 211 HB2 GLU 28 HB2 GLU 28 -10.407 6.890 -3.120 212 HB3 GLU 28 HB1 GLU 28 -11.487 6.446 -4.431 213 HG2 GLU 28 HG2 GLU 28 -9.138 8.315 -4.598 214 HG3 GLU 28 HG1 GLU 28 -9.232 6.678 -5.241 215 H GLY 29 HN GLY 29 -12.149 8.895 -1.217 216 HA2 GLY 29 HA2 GLY 29 -14.173 8.788 0.042 217 HA3 GLY 29 HA1 GLY 29 -14.792 7.619 -1.115 218 H ALA 30 HN ALA 30 -11.768 7.769 0.768 219 HA ALA 30 HA ALA 30 -12.555 5.298 2.140 220 HB1 ALA 30 HB1 ALA 30 -11.231 4.653 0.165 221 HB2 ALA 30 HB2 ALA 30 -10.410 4.258 1.675 222 HB3 ALA 30 HB3 ALA 30 -9.906 5.665 0.740 223 H GLU 31 HN GLU 31 -11.056 4.777 3.949 224 HA GLU 31 HA GLU 31 -9.986 7.230 5.186 225 HB2 GLU 31 HB2 GLU 31 -11.806 6.170 6.457 226 HB3 GLU 31 HB1 GLU 31 -10.903 4.661 6.495 227 HG2 GLU 31 HG2 GLU 31 -10.737 5.882 8.596 228 HG3 GLU 31 HG1 GLU 31 -9.170 5.692 7.822 229 H VAL 32 HN VAL 32 -7.881 7.128 6.135 230 HA VAL 32 HA VAL 32 -6.284 4.918 4.991 231 HB VAL 32 HB VAL 32 -5.358 7.774 5.058 232 HG11 VAL 32 HG11 VAL 32 -3.616 6.094 4.888 233 HG12 VAL 32 HG12 VAL 32 -3.751 7.005 3.382 234 HG13 VAL 32 HG13 VAL 32 -4.423 5.377 3.492 235 HG21 VAL 32 HG21 VAL 32 -5.948 8.013 2.737 236 HG22 VAL 32 HG22 VAL 32 -7.386 7.633 3.680 237 HG23 VAL 32 HG23 VAL 32 -6.614 6.377 2.704 238 H VAL 33 HN VAL 33 -4.870 4.013 6.329 239 HA VAL 33 HA VAL 33 -4.002 5.469 8.730 240 HB VAL 33 HB VAL 33 -3.491 2.581 8.069 241 HG11 VAL 33 HG11 VAL 33 -1.935 3.603 9.645 242 HG12 VAL 33 HG12 VAL 33 -2.940 2.387 10.434 243 HG13 VAL 33 HG13 VAL 33 -3.287 4.102 10.660 244 HG21 VAL 33 HG21 VAL 33 -5.898 2.941 8.260 245 HG22 VAL 33 HG22 VAL 33 -5.660 3.709 9.830 246 HG23 VAL 33 HG23 VAL 33 -5.281 2.000 9.618 247 H VAL 34 HN VAL 34 -2.002 6.355 8.705 248 HA VAL 34 HA VAL 34 -0.259 5.626 6.467 249 HB VAL 34 HB VAL 34 -0.084 8.006 8.323 250 HG11 VAL 34 HG11 VAL 34 1.519 7.282 5.874 251 HG12 VAL 34 HG12 VAL 34 2.110 7.378 7.532 252 HG13 VAL 34 HG13 VAL 34 1.580 8.841 6.698 253 HG21 VAL 34 HG21 VAL 34 -0.796 9.303 6.368 254 HG22 VAL 34 HG22 VAL 34 -2.015 8.117 6.835 255 HG23 VAL 34 HG23 VAL 34 -0.973 7.811 5.445 256 H ALA 35 HN ALA 35 1.392 4.334 6.781 257 HA ALA 35 HA ALA 35 2.696 4.293 9.416 258 HB1 ALA 35 HB1 ALA 35 1.188 2.293 9.044 259 HB2 ALA 35 HB2 ALA 35 2.870 1.938 9.432 260 HB3 ALA 35 HB3 ALA 35 2.304 1.805 7.764 261 H ALA 36 HN ALA 36 4.849 4.418 9.349 262 HA ALA 36 HA ALA 36 6.139 4.436 6.715 263 HB1 ALA 36 HB1 ALA 36 7.956 5.621 7.809 264 HB2 ALA 36 HB2 ALA 36 7.171 5.402 9.378 265 HB3 ALA 36 HB3 ALA 36 6.415 6.412 8.143 266 H THR 37 HN THR 37 5.672 2.391 9.298 267 HA THR 37 HA THR 37 8.126 0.897 8.686 268 HB THR 37 HB THR 37 8.200 0.173 11.061 269 HG1 THR 37 HG1 THR 37 6.948 1.849 12.433 270 HG21 THR 37 HG21 THR 37 9.078 2.271 11.981 271 HG22 THR 37 HG22 THR 37 8.342 3.156 10.646 272 HG23 THR 37 HG23 THR 37 9.635 2.000 10.332 273 H CYS 38 HN CYS 38 7.969 -1.403 9.015 274 HA CYS 38 HA CYS 38 5.492 -2.559 8.338 275 HB2 CYS 38 HB2 CYS 38 7.938 -3.827 9.578 276 HB3 CYS 38 HB1 CYS 38 6.579 -4.720 8.912 277 HG CYS 38 HG CYS 38 9.185 -3.351 7.359 278 H GLU 39 HN GLU 39 7.040 -1.847 11.385 279 HA GLU 39 HA GLU 39 5.413 -3.430 13.043 280 HB2 GLU 39 HB2 GLU 39 6.939 -0.903 13.627 281 HB3 GLU 39 HB1 GLU 39 6.169 -1.887 14.859 282 HG2 GLU 39 HG2 GLU 39 7.577 -3.788 14.181 283 HG3 GLU 39 HG1 GLU 39 8.385 -2.743 13.015 284 H GLN 40 HN GLN 40 5.142 0.025 12.114 285 HA GLN 40 HA GLN 40 2.727 0.537 13.434 286 HB2 GLN 40 HB2 GLN 40 3.961 1.674 10.943 287 HB3 GLN 40 HB1 GLN 40 2.426 2.250 11.550 288 HG2 GLN 40 HG2 GLN 40 3.667 2.693 13.730 289 HG3 GLN 40 HG1 GLN 40 5.131 2.475 12.772 290 HE21 GLN 40 HE21 GLN 40 5.711 4.012 11.285 291 HE22 GLN 40 HE22 GLN 40 4.948 5.564 11.183 292 H ALA 41 HN ALA 41 3.409 -0.754 10.256 293 HA ALA 41 HA ALA 41 0.807 -0.797 9.242 294 HB1 ALA 41 HB1 ALA 41 2.974 -2.764 8.591 295 HB2 ALA 41 HB2 ALA 41 2.962 -1.101 8.004 296 HB3 ALA 41 HB3 ALA 41 1.662 -2.207 7.552 297 H LEU 42 HN LEU 42 2.695 -3.406 10.765 298 HA LEU 42 HA LEU 42 0.658 -5.334 10.665 299 HB2 LEU 42 HB2 LEU 42 2.989 -5.108 12.564 300 HB3 LEU 42 HB1 LEU 42 2.033 -6.546 12.290 301 HG LEU 42 HG LEU 42 3.738 -5.187 10.209 302 HD11 LEU 42 HD11 LEU 42 4.221 -7.699 11.799 303 HD12 LEU 42 HD12 LEU 42 5.097 -6.173 11.951 304 HD13 LEU 42 HD13 LEU 42 5.218 -7.118 10.465 305 HD21 LEU 42 HD21 LEU 42 2.178 -7.771 10.146 306 HD22 LEU 42 HD22 LEU 42 3.338 -7.265 8.919 307 HD23 LEU 42 HD23 LEU 42 1.874 -6.320 9.189 308 H LYS 43 HN LYS 43 1.411 -2.798 12.947 309 HA LYS 43 HA LYS 43 -0.297 -3.686 15.026 310 HB2 LYS 43 HB2 LYS 43 1.528 -1.867 15.109 311 HB3 LYS 43 HB1 LYS 43 0.322 -0.795 14.418 312 HG2 LYS 43 HG2 LYS 43 -0.133 -2.314 16.967 313 HG3 LYS 43 HG1 LYS 43 0.624 -0.726 16.934 314 HD2 LYS 43 HD2 LYS 43 -2.120 -1.341 15.834 315 HD3 LYS 43 HD1 LYS 43 -1.814 -0.679 17.440 316 HE2 LYS 43 HE2 LYS 43 -0.673 1.245 16.367 317 HE3 LYS 43 HE1 LYS 43 -1.137 0.600 14.795 318 HZ1 LYS 43 HZ1 LYS 43 -3.005 1.451 16.939 319 HZ2 LYS 43 HZ2 LYS 43 -3.462 0.822 15.439 320 HZ3 LYS 43 HZ3 LYS 43 -2.663 2.309 15.524 321 H SER 44 HN SER 44 -0.747 -1.360 12.381 322 HA SER 44 HA SER 44 -3.474 -0.856 12.930 323 HB2 SER 44 HB2 SER 44 -1.934 0.555 11.493 324 HB3 SER 44 HB1 SER 44 -2.167 -0.641 10.217 325 HG SER 44 HG SER 44 -3.944 1.226 11.266 326 H LEU 45 HN LEU 45 -1.814 -3.298 11.060 327 HA LEU 45 HA LEU 45 -3.922 -4.381 9.587 328 HB2 LEU 45 HB2 LEU 45 -1.255 -5.009 10.120 329 HB3 LEU 45 HB1 LEU 45 -2.146 -6.406 10.684 330 HG LEU 45 HG LEU 45 -1.461 -6.808 8.436 331 HD11 LEU 45 HD11 LEU 45 -4.387 -6.107 8.483 332 HD12 LEU 45 HD12 LEU 45 -3.669 -7.633 9.000 333 HD13 LEU 45 HD13 LEU 45 -3.595 -7.154 7.306 334 HD21 LEU 45 HD21 LEU 45 -2.100 -5.354 6.583 335 HD22 LEU 45 HD22 LEU 45 -1.069 -4.519 7.745 336 HD23 LEU 45 HD23 LEU 45 -2.806 -4.212 7.726 337 H ALA 46 HN ALA 46 -2.854 -5.032 12.906 338 HA ALA 46 HA ALA 46 -4.941 -7.002 13.316 339 HB1 ALA 46 HB1 ALA 46 -2.910 -5.866 15.231 340 HB2 ALA 46 HB2 ALA 46 -2.727 -7.345 14.286 341 HB3 ALA 46 HB3 ALA 46 -3.963 -7.246 15.539 342 H ASP 47 HN ASP 47 -4.278 -3.678 14.100 343 HA ASP 47 HA ASP 47 -6.286 -3.428 16.123 344 HB2 ASP 47 HB2 ASP 47 -4.247 -2.031 16.040 345 HB3 ASP 47 HB1 ASP 47 -4.831 -1.290 14.558 346 H ASN 48 HN ASN 48 -6.108 -2.755 12.681 347 HA ASN 48 HA ASN 48 -8.973 -2.064 12.732 348 HB2 ASN 48 HB2 ASN 48 -6.916 -0.958 10.817 349 HB3 ASN 48 HB1 ASN 48 -8.612 -0.533 10.875 350 HD21 ASN 48 HD21 ASN 48 -5.513 -0.020 12.190 351 HD22 ASN 48 HD22 ASN 48 -5.937 1.243 13.296 352 HA PRO 49 HA PRO 49 -9.275 -5.139 9.548 353 HB2 PRO 49 HB2 PRO 49 -11.700 -4.468 8.542 354 HB3 PRO 49 HB1 PRO 49 -11.486 -5.216 10.125 355 HG2 PRO 49 HG2 PRO 49 -12.327 -2.503 9.478 356 HG3 PRO 49 HG1 PRO 49 -12.380 -3.342 11.033 357 HD2 PRO 49 HD2 PRO 49 -10.423 -1.420 10.041 358 HD3 PRO 49 HD1 PRO 49 -10.636 -2.041 11.686 359 H ILE 50 HN ILE 50 -7.559 -4.364 8.222 360 HA ILE 50 HA ILE 50 -7.792 -2.240 6.399 361 HB ILE 50 HB ILE 50 -5.906 -4.594 6.449 362 HG12 ILE 50 HG12 ILE 50 -5.708 -3.213 8.411 363 HG13 ILE 50 HG11 ILE 50 -4.327 -2.913 7.371 364 HG21 ILE 50 HG21 ILE 50 -4.462 -3.291 4.995 365 HG22 ILE 50 HG22 ILE 50 -5.701 -2.042 4.879 366 HG23 ILE 50 HG23 ILE 50 -6.003 -3.646 4.214 367 HD11 ILE 50 HD11 ILE 50 -6.724 -1.150 7.796 368 HD12 ILE 50 HD12 ILE 50 -5.534 -0.887 6.521 369 HD13 ILE 50 HD13 ILE 50 -5.040 -0.819 8.216 370 H ASP 51 HN ASP 51 -9.002 -2.131 4.664 371 HA ASP 51 HA ASP 51 -10.037 -4.499 3.361 372 HB2 ASP 51 HB2 ASP 51 -10.426 -1.546 2.876 373 HB3 ASP 51 HB1 ASP 51 -11.097 -2.771 1.810 374 H VAL 52 HN VAL 52 -7.644 -2.032 2.833 375 HA VAL 52 HA VAL 52 -6.412 -3.540 0.730 376 HB VAL 52 HB VAL 52 -8.199 -2.358 -0.527 377 HG11 VAL 52 HG11 VAL 52 -6.841 0.093 0.554 378 HG12 VAL 52 HG12 VAL 52 -8.529 -0.386 0.746 379 HG13 VAL 52 HG13 VAL 52 -7.924 0.115 -0.833 380 HG21 VAL 52 HG21 VAL 52 -5.406 -1.398 -1.116 381 HG22 VAL 52 HG22 VAL 52 -6.761 -1.355 -2.245 382 HG23 VAL 52 HG23 VAL 52 -6.137 -2.903 -1.674 383 H ALA 53 HN ALA 53 -4.331 -2.646 0.162 384 HA ALA 53 HA ALA 53 -3.428 -0.482 1.919 385 HB1 ALA 53 HB1 ALA 53 -2.905 -2.655 2.975 386 HB2 ALA 53 HB2 ALA 53 -1.468 -1.713 2.575 387 HB3 ALA 53 HB3 ALA 53 -1.941 -3.076 1.558 388 H VAL 54 HN VAL 54 -1.282 0.316 1.308 389 HA VAL 54 HA VAL 54 -0.466 -0.236 -1.428 390 HB VAL 54 HB VAL 54 -2.003 1.977 -0.821 391 HG11 VAL 54 HG11 VAL 54 -0.603 3.941 -1.117 392 HG12 VAL 54 HG12 VAL 54 0.843 2.931 -1.037 393 HG13 VAL 54 HG13 VAL 54 -0.209 3.084 0.372 394 HG21 VAL 54 HG21 VAL 54 -0.057 1.703 -3.086 395 HG22 VAL 54 HG22 VAL 54 -1.524 2.689 -3.050 396 HG23 VAL 54 HG23 VAL 54 -1.644 0.929 -2.985 397 H LEU 55 HN LEU 55 1.709 -0.535 -1.452 398 HA LEU 55 HA LEU 55 3.112 0.175 1.041 399 HB2 LEU 55 HB2 LEU 55 2.926 -2.423 -0.415 400 HB3 LEU 55 HB1 LEU 55 4.378 -2.059 0.485 401 HG LEU 55 HG LEU 55 3.069 -1.895 2.558 402 HD11 LEU 55 HD11 LEU 55 0.729 -2.682 2.568 403 HD12 LEU 55 HD12 LEU 55 0.733 -2.607 0.802 404 HD13 LEU 55 HD13 LEU 55 0.949 -1.132 1.749 405 HD21 LEU 55 HD21 LEU 55 3.997 -4.025 2.084 406 HD22 LEU 55 HD22 LEU 55 2.713 -4.402 0.941 407 HD23 LEU 55 HD23 LEU 55 2.353 -4.292 2.666 408 H ASP 56 HN ASP 56 4.738 1.545 0.642 409 HA ASP 56 HA ASP 56 6.236 1.437 -1.818 410 HB2 ASP 56 HB2 ASP 56 6.065 3.585 -0.684 411 HB3 ASP 56 HB1 ASP 56 6.794 2.909 0.769 412 H VAL 57 HN VAL 57 8.026 0.322 -2.200 413 HA VAL 57 HA VAL 57 8.557 -1.821 -0.331 414 HB VAL 57 HB VAL 57 9.637 -1.427 -3.128 415 HG11 VAL 57 HG11 VAL 57 9.455 -3.884 -1.399 416 HG12 VAL 57 HG12 VAL 57 10.929 -3.012 -1.810 417 HG13 VAL 57 HG13 VAL 57 10.016 -3.843 -3.069 418 HG21 VAL 57 HG21 VAL 57 7.857 -2.888 -3.876 419 HG22 VAL 57 HG22 VAL 57 7.179 -1.472 -3.074 420 HG23 VAL 57 HG23 VAL 57 7.242 -3.018 -2.229 421 H ASN 58 HN ASN 58 10.020 1.103 -1.363 422 HA ASN 58 HA ASN 58 12.620 0.244 -0.282 423 HB2 ASN 58 HB2 ASN 58 12.515 1.073 -2.678 424 HB3 ASN 58 HB1 ASN 58 12.116 2.659 -2.025 425 HD21 ASN 58 HD21 ASN 58 13.933 3.717 -2.631 426 HD22 ASN 58 HD22 ASN 58 15.510 3.350 -2.028 427 H LEU 59 HN LEU 59 11.198 0.660 1.770 428 HA LEU 59 HA LEU 59 10.664 3.293 2.601 429 HB2 LEU 59 HB2 LEU 59 11.328 0.894 4.312 430 HB3 LEU 59 HB1 LEU 59 10.557 2.366 4.868 431 HG LEU 59 HG LEU 59 9.370 0.399 2.907 432 HD11 LEU 59 HD11 LEU 59 9.494 -0.458 5.202 433 HD12 LEU 59 HD12 LEU 59 7.831 -0.154 4.699 434 HD13 LEU 59 HD13 LEU 59 8.647 0.979 5.776 435 HD21 LEU 59 HD21 LEU 59 8.624 2.660 2.451 436 HD22 LEU 59 HD22 LEU 59 8.216 2.892 4.151 437 HD23 LEU 59 HD23 LEU 59 7.321 1.723 3.180 438 H GLY 60 HN GLY 60 13.518 1.280 2.778 439 HA2 GLY 60 HA2 GLY 60 15.222 3.562 2.982 440 HA3 GLY 60 HA1 GLY 60 15.158 2.659 4.490 441 HA PRO 61 HA PRO 61 18.547 0.974 1.659 442 HB2 PRO 61 HB2 PRO 61 19.802 0.831 4.333 443 HB3 PRO 61 HB1 PRO 61 20.503 1.321 2.792 444 HG2 PRO 61 HG2 PRO 61 19.885 3.142 4.627 445 HG3 PRO 61 HG1 PRO 61 19.595 3.453 2.907 446 HD2 PRO 61 HD2 PRO 61 17.653 2.724 5.054 447 HD3 PRO 61 HD1 PRO 61 17.458 3.833 3.683 448 H LYS 62 HN LYS 62 17.355 -0.043 4.834 449 HA LYS 62 HA LYS 62 17.528 -2.834 3.899 450 HB2 LYS 62 HB2 LYS 62 19.057 -2.258 5.803 451 HB3 LYS 62 HB1 LYS 62 17.643 -1.870 6.768 452 HG2 LYS 62 HG2 LYS 62 17.952 -4.582 5.541 453 HG3 LYS 62 HG1 LYS 62 18.768 -4.172 7.048 454 HD2 LYS 62 HD2 LYS 62 16.606 -3.606 8.056 455 HD3 LYS 62 HD1 LYS 62 15.794 -4.018 6.545 456 HE2 LYS 62 HE2 LYS 62 15.621 -5.849 8.131 457 HE3 LYS 62 HE1 LYS 62 16.602 -6.322 6.748 458 HZ1 LYS 62 HZ1 LYS 62 17.584 -7.058 8.825 459 HZ2 LYS 62 HZ2 LYS 62 17.645 -5.468 9.391 460 HZ3 LYS 62 HZ3 LYS 62 18.589 -5.929 8.067 461 H SER 63 HN SER 63 15.628 -0.385 5.531 462 HA SER 63 HA SER 63 13.496 -2.087 6.280 463 HB2 SER 63 HB2 SER 63 12.288 0.247 6.372 464 HB3 SER 63 HB1 SER 63 13.532 -0.169 7.552 465 HG SER 63 HG SER 63 13.508 1.888 5.918 466 H HIS 64 HN HIS 64 11.819 -2.795 5.210 467 HA HIS 64 HA HIS 64 11.016 -1.603 2.668 468 HB2 HIS 64 HB2 HIS 64 11.109 -3.807 1.521 469 HB3 HIS 64 HB1 HIS 64 12.706 -3.247 2.001 470 HD1 HIS 64 HD1 HIS 64 10.018 -5.610 3.290 471 HD2 HIS 64 HD2 HIS 64 14.130 -5.098 3.384 472 HE1 HIS 64 HE1 HIS 64 10.907 -7.593 4.531 473 HE2 HIS 64 HE2 HIS 64 13.376 -7.159 4.753 474 H CYS 65 HN CYS 65 8.817 -2.070 2.148 475 HA CYS 65 HA CYS 65 7.146 -3.095 4.196 476 HB2 CYS 65 HB2 CYS 65 5.368 -2.880 2.560 477 HB3 CYS 65 HB1 CYS 65 6.422 -1.477 2.461 478 HG CYS 65 HG CYS 65 6.966 -4.075 0.378 479 H GLY 66 HN GLY 66 8.042 -5.165 4.726 480 HA2 GLY 66 HA2 GLY 66 7.689 -7.209 2.615 481 HA3 GLY 66 HA1 GLY 66 8.905 -7.315 3.878 482 HA PRO 67 HA PRO 67 6.174 -9.442 6.694 483 HB2 PRO 67 HB2 PRO 67 6.188 -7.101 8.510 484 HB3 PRO 67 HB1 PRO 67 6.578 -8.785 8.844 485 HG2 PRO 67 HG2 PRO 67 8.478 -6.901 8.637 486 HG3 PRO 67 HG1 PRO 67 8.741 -8.578 8.132 487 HD2 PRO 67 HD2 PRO 67 8.349 -6.150 6.485 488 HD3 PRO 67 HD1 PRO 67 9.226 -7.645 6.122 489 H VAL 68 HN VAL 68 5.524 -6.089 5.936 490 HA VAL 68 HA VAL 68 2.776 -6.048 6.651 491 HB VAL 68 HB VAL 68 4.041 -4.400 4.467 492 HG11 VAL 68 HG11 VAL 68 2.372 -2.755 5.077 493 HG12 VAL 68 HG12 VAL 68 1.770 -3.813 6.354 494 HG13 VAL 68 HG13 VAL 68 1.608 -4.292 4.665 495 HG21 VAL 68 HG21 VAL 68 5.497 -4.222 6.385 496 HG22 VAL 68 HG22 VAL 68 4.121 -3.917 7.441 497 HG23 VAL 68 HG23 VAL 68 4.569 -2.731 6.216 498 H ALA 69 HN ALA 69 4.499 -6.495 3.608 499 HA ALA 69 HA ALA 69 2.308 -6.862 1.920 500 HB1 ALA 69 HB1 ALA 69 5.091 -8.009 1.723 501 HB2 ALA 69 HB2 ALA 69 4.562 -6.446 1.097 502 HB3 ALA 69 HB3 ALA 69 3.918 -7.936 0.407 503 H ASP 70 HN ASP 70 4.294 -9.179 3.706 504 HA ASP 70 HA ASP 70 2.934 -11.496 2.821 505 HB2 ASP 70 HB2 ASP 70 5.218 -11.412 3.895 506 HB3 ASP 70 HB1 ASP 70 4.408 -11.152 5.439 507 H ALA 71 HN ALA 71 2.548 -9.414 5.666 508 HA ALA 71 HA ALA 71 0.568 -10.777 7.052 509 HB1 ALA 71 HB1 ALA 71 1.703 -8.728 7.824 510 HB2 ALA 71 HB2 ALA 71 -0.053 -8.644 7.991 511 HB3 ALA 71 HB3 ALA 71 0.750 -7.793 6.667 512 H LEU 72 HN LEU 72 0.259 -8.448 4.422 513 HA LEU 72 HA LEU 72 -2.555 -8.531 4.226 514 HB2 LEU 72 HB2 LEU 72 -0.434 -7.765 2.229 515 HB3 LEU 72 HB1 LEU 72 -2.150 -7.465 2.021 516 HG LEU 72 HG LEU 72 -0.476 -6.336 4.267 517 HD11 LEU 72 HD11 LEU 72 -0.699 -4.222 3.096 518 HD12 LEU 72 HD12 LEU 72 -1.466 -5.062 1.741 519 HD13 LEU 72 HD13 LEU 72 0.211 -5.417 2.168 520 HD21 LEU 72 HD21 LEU 72 -2.465 -4.883 4.582 521 HD22 LEU 72 HD22 LEU 72 -2.783 -6.588 4.910 522 HD23 LEU 72 HD23 LEU 72 -3.324 -5.867 3.395 523 H LYS 73 HN LYS 73 0.043 -10.164 2.491 524 HA LYS 73 HA LYS 73 -1.455 -11.668 0.701 525 HB2 LYS 73 HB2 LYS 73 1.189 -12.097 2.028 526 HB3 LYS 73 HB1 LYS 73 0.553 -13.272 0.899 527 HG2 LYS 73 HG2 LYS 73 1.130 -10.375 0.331 528 HG3 LYS 73 HG1 LYS 73 2.085 -11.754 -0.188 529 HD2 LYS 73 HD2 LYS 73 -0.767 -11.242 -1.007 530 HD3 LYS 73 HD1 LYS 73 0.648 -10.845 -1.979 531 HE2 LYS 73 HE2 LYS 73 1.280 -13.221 -1.992 532 HE3 LYS 73 HE1 LYS 73 -0.171 -13.600 -1.068 533 HZ1 LYS 73 HZ1 LYS 73 -0.475 -13.998 -3.437 534 HZ2 LYS 73 HZ2 LYS 73 -0.130 -12.379 -3.776 535 HZ3 LYS 73 HZ3 LYS 73 -1.512 -12.779 -2.891 536 H GLN 74 HN GLN 74 -0.645 -12.289 4.068 537 HA GLN 74 HA GLN 74 -1.558 -14.939 4.250 538 HB2 GLN 74 HB2 GLN 74 -1.383 -12.740 6.311 539 HB3 GLN 74 HB1 GLN 74 -1.873 -14.381 6.710 540 HG2 GLN 74 HG2 GLN 74 0.279 -15.226 5.977 541 HG3 GLN 74 HG1 GLN 74 0.767 -13.603 5.488 542 HE21 GLN 74 HE21 GLN 74 2.531 -13.583 6.881 543 HE22 GLN 74 HE22 GLN 74 2.338 -13.437 8.598 544 H ARG 75 HN ARG 75 -3.261 -11.880 4.841 545 HA ARG 75 HA ARG 75 -5.734 -13.312 5.381 546 HB2 ARG 75 HB2 ARG 75 -5.143 -10.351 5.390 547 HB3 ARG 75 HB1 ARG 75 -6.615 -11.105 5.969 548 HG2 ARG 75 HG2 ARG 75 -5.447 -12.143 7.742 549 HG3 ARG 75 HG1 ARG 75 -3.892 -11.611 7.091 550 HD2 ARG 75 HD2 ARG 75 -4.572 -10.150 8.859 551 HD3 ARG 75 HD1 ARG 75 -4.602 -9.284 7.349 552 HE ARG 75 HE ARG 75 -7.138 -10.002 7.526 553 HH11 ARG 75 HH11 ARG 75 -5.037 -8.819 10.055 554 HH12 ARG 75 HH12 ARG 75 -6.295 -7.954 10.876 555 HH21 ARG 75 HH21 ARG 75 -8.805 -8.872 8.612 556 HH22 ARG 75 HH22 ARG 75 -8.440 -7.999 10.065 557 H ALA 76 HN ALA 76 -4.234 -12.583 2.656 558 HA ALA 76 HA ALA 76 -4.809 -12.310 0.487 559 HB1 ALA 76 HB1 ALA 76 -7.019 -13.020 -0.238 560 HB2 ALA 76 HB2 ALA 76 -7.596 -12.973 1.429 561 HB3 ALA 76 HB3 ALA 76 -6.363 -14.142 0.955 562 H ILE 77 HN ILE 77 -4.813 -10.007 2.261 563 HA ILE 77 HA ILE 77 -6.951 -8.284 1.362 564 HB ILE 77 HB ILE 77 -4.420 -7.656 2.902 565 HG12 ILE 77 HG12 ILE 77 -7.244 -7.834 3.958 566 HG13 ILE 77 HG11 ILE 77 -6.135 -9.201 3.979 567 HG21 ILE 77 HG21 ILE 77 -5.219 -5.685 1.768 568 HG22 ILE 77 HG22 ILE 77 -5.578 -5.550 3.490 569 HG23 ILE 77 HG23 ILE 77 -6.858 -5.973 2.352 570 HD11 ILE 77 HD11 ILE 77 -5.713 -6.558 5.363 571 HD12 ILE 77 HD12 ILE 77 -4.595 -7.925 5.377 572 HD13 ILE 77 HD13 ILE 77 -6.183 -8.079 6.129 573 HA PRO 78 HA PRO 78 -4.777 -7.169 -2.335 574 HB2 PRO 78 HB2 PRO 78 -6.376 -5.078 -3.048 575 HB3 PRO 78 HB1 PRO 78 -6.744 -6.772 -3.366 576 HG2 PRO 78 HG2 PRO 78 -7.879 -4.941 -1.358 577 HG3 PRO 78 HG1 PRO 78 -8.592 -6.373 -2.110 578 HD2 PRO 78 HD2 PRO 78 -7.538 -6.211 0.470 579 HD3 PRO 78 HD1 PRO 78 -7.919 -7.699 -0.407 580 H PHE 79 HN PHE 79 -3.226 -5.765 -2.916 581 HA PHE 79 HA PHE 79 -3.088 -3.106 -1.872 582 HB2 PHE 79 HB2 PHE 79 -0.939 -3.353 -0.714 583 HB3 PHE 79 HB1 PHE 79 -2.227 -4.245 0.069 584 HD1 PHE 79 HD2 PHE 79 -2.363 -6.748 -0.368 585 HD2 PHE 79 HD1 PHE 79 1.035 -4.381 -1.301 586 HE1 PHE 79 HE2 PHE 79 -0.967 -8.780 -0.401 587 HE2 PHE 79 HE1 PHE 79 2.440 -6.398 -1.334 588 HZ PHE 79 HZ PHE 79 1.439 -8.603 -0.882 589 H ILE 80 HN ILE 80 -1.297 -1.925 -2.706 590 HA ILE 80 HA ILE 80 -0.127 -3.138 -5.130 591 HB ILE 80 HB ILE 80 -1.067 -0.285 -4.790 592 HG12 ILE 80 HG12 ILE 80 -2.110 -2.573 -6.465 593 HG13 ILE 80 HG11 ILE 80 -2.941 -1.768 -5.138 594 HG21 ILE 80 HG21 ILE 80 0.942 -0.375 -6.139 595 HG22 ILE 80 HG22 ILE 80 -0.456 -0.008 -7.150 596 HG23 ILE 80 HG23 ILE 80 0.232 -1.633 -7.152 597 HD11 ILE 80 HD11 ILE 80 -2.222 -0.543 -7.787 598 HD12 ILE 80 HD12 ILE 80 -3.028 0.287 -6.457 599 HD13 ILE 80 HD13 ILE 80 -3.826 -1.059 -7.269 600 H LEU 81 HN LEU 81 2.030 -2.786 -5.433 601 HA LEU 81 HA LEU 81 3.459 -1.543 -3.221 602 HB2 LEU 81 HB2 LEU 81 4.488 -3.000 -5.662 603 HB3 LEU 81 HB1 LEU 81 5.499 -2.372 -4.379 604 HG LEU 81 HG LEU 81 5.346 -4.648 -3.923 605 HD11 LEU 81 HD11 LEU 81 3.176 -3.374 -2.266 606 HD12 LEU 81 HD12 LEU 81 4.907 -3.295 -1.941 607 HD13 LEU 81 HD13 LEU 81 4.064 -4.842 -1.862 608 HD21 LEU 81 HD21 LEU 81 3.331 -5.964 -3.980 609 HD22 LEU 81 HD22 LEU 81 3.558 -5.147 -5.528 610 HD23 LEU 81 HD23 LEU 81 2.374 -4.537 -4.372 611 H HIS 82 HN HIS 82 3.666 0.586 -3.311 612 HA HIS 82 HA HIS 82 4.030 1.843 -5.940 613 HB2 HIS 82 HB2 HIS 82 2.121 2.689 -4.661 614 HB3 HIS 82 HB1 HIS 82 3.161 3.053 -3.293 615 HD1 HIS 82 HD1 HIS 82 2.272 5.540 -3.516 616 HD2 HIS 82 HD2 HIS 82 4.545 4.181 -6.715 617 HE1 HIS 82 HE1 HIS 82 2.822 7.581 -4.882 618 HE2 HIS 82 HE2 HIS 82 4.381 6.761 -6.664 619 H THR 83 HN THR 83 6.187 1.368 -6.171 620 HA THR 83 HA THR 83 8.020 2.595 -4.212 621 HB THR 83 HB THR 83 8.041 0.183 -3.921 622 HG1 THR 83 HG1 THR 83 10.372 -0.076 -4.932 623 HG21 THR 83 HG21 THR 83 8.620 -1.345 -5.714 624 HG22 THR 83 HG22 THR 83 8.755 0.003 -6.846 625 HG23 THR 83 HG23 THR 83 7.185 -0.412 -6.151 626 H GLY 84 HN GLY 84 9.974 3.414 -5.031 627 HA2 GLY 84 HA2 GLY 84 9.960 3.971 -7.915 628 HA3 GLY 84 HA1 GLY 84 10.917 4.815 -6.702 629 H ASP 85 HN ASP 85 11.269 1.803 -5.758 630 HA ASP 85 HA ASP 85 13.473 1.188 -7.608 631 HB2 ASP 85 HB2 ASP 85 13.509 1.407 -4.633 632 HB3 ASP 85 HB1 ASP 85 14.503 0.167 -5.387 633 H LEU 86 HN LEU 86 13.322 -0.751 -8.469 634 HA LEU 86 HA LEU 86 11.593 -2.739 -7.165 635 HB2 LEU 86 HB2 LEU 86 12.463 -2.500 -10.047 636 HB3 LEU 86 HB1 LEU 86 11.470 -3.795 -9.408 637 HG LEU 86 HG LEU 86 10.655 -0.887 -9.371 638 HD11 LEU 86 HD11 LEU 86 9.889 -3.074 -11.300 639 HD12 LEU 86 HD12 LEU 86 10.875 -1.660 -11.670 640 HD13 LEU 86 HD13 LEU 86 9.178 -1.462 -11.235 641 HD21 LEU 86 HD21 LEU 86 9.585 -2.271 -7.668 642 HD22 LEU 86 HD22 LEU 86 9.100 -3.431 -8.904 643 HD23 LEU 86 HD23 LEU 86 8.435 -1.798 -8.917 644 H ASP 87 HN ASP 87 14.615 -2.451 -9.013 645 HA ASP 87 HA ASP 87 15.427 -5.124 -8.679 646 HB2 ASP 87 HB2 ASP 87 16.324 -3.693 -10.444 647 HB3 ASP 87 HB1 ASP 87 17.085 -2.660 -9.240 648 H ARG 88 HN ARG 88 15.733 -2.333 -6.656 649 HA ARG 88 HA ARG 88 17.779 -3.208 -4.938 650 HB2 ARG 88 HB2 ARG 88 15.546 -1.260 -4.686 651 HB3 ARG 88 HB1 ARG 88 16.501 -1.673 -3.272 652 HG2 ARG 88 HG2 ARG 88 17.663 -0.662 -5.853 653 HG3 ARG 88 HG1 ARG 88 17.253 0.354 -4.478 654 HD2 ARG 88 HD2 ARG 88 19.209 -1.921 -4.471 655 HD3 ARG 88 HD1 ARG 88 19.619 -0.208 -4.458 656 HE ARG 88 HE ARG 88 18.191 -0.296 -2.270 657 HH11 ARG 88 HH11 ARG 88 20.528 -2.642 -3.403 658 HH12 ARG 88 HH12 ARG 88 20.920 -3.207 -1.811 659 HH21 ARG 88 HH21 ARG 88 18.690 -1.049 -0.175 660 HH22 ARG 88 HH22 ARG 88 19.878 -2.299 0.026 661 H HIS 89 HN HIS 89 14.544 -4.284 -5.291 662 HA HIS 89 HA HIS 89 14.821 -5.975 -2.929 663 HB2 HIS 89 HB2 HIS 89 12.595 -3.999 -3.362 664 HB3 HIS 89 HB1 HIS 89 12.377 -5.421 -2.353 665 HD1 HIS 89 HD1 HIS 89 14.212 -5.574 -0.294 666 HD2 HIS 89 HD2 HIS 89 13.637 -1.858 -2.073 667 HE1 HIS 89 HE1 HIS 89 15.135 -3.893 1.332 668 HE2 HIS 89 HE2 HIS 89 14.969 -1.682 0.136 669 H GLY 90 HN GLY 90 15.041 -6.695 -5.604 670 HA2 GLY 90 HA2 GLY 90 12.648 -7.495 -6.843 671 HA3 GLY 90 HA1 GLY 90 14.234 -8.160 -7.176 672 H GLU 91 HN GLU 91 14.765 -9.212 -4.592 673 HA GLU 91 HA GLU 91 13.514 -11.704 -4.752 674 HB2 GLU 91 HB2 GLU 91 14.443 -12.049 -2.424 675 HB3 GLU 91 HB1 GLU 91 15.603 -11.674 -3.694 676 HG2 GLU 91 HG2 GLU 91 15.735 -9.423 -2.993 677 HG3 GLU 91 HG1 GLU 91 14.431 -9.642 -1.835 678 H LEU 92 HN LEU 92 12.881 -8.923 -2.718 679 HA LEU 92 HA LEU 92 10.906 -10.089 -1.082 680 HB2 LEU 92 HB2 LEU 92 12.116 -7.950 -0.634 681 HB3 LEU 92 HB1 LEU 92 11.162 -7.196 -1.893 682 HG LEU 92 HG LEU 92 9.112 -7.893 -0.523 683 HD11 LEU 92 HD11 LEU 92 10.241 -9.469 0.955 684 HD12 LEU 92 HD12 LEU 92 9.498 -8.161 1.869 685 HD13 LEU 92 HD13 LEU 92 11.240 -8.164 1.595 686 HD21 LEU 92 HD21 LEU 92 9.288 -5.907 0.872 687 HD22 LEU 92 HD22 LEU 92 9.901 -5.602 -0.753 688 HD23 LEU 92 HD23 LEU 92 11.027 -5.849 0.581 689 H LEU 93 HN LEU 93 10.728 -8.174 -4.045 690 HA LEU 93 HA LEU 93 7.960 -7.971 -4.247 691 HB2 LEU 93 HB2 LEU 93 10.068 -8.039 -6.401 692 HB3 LEU 93 HB1 LEU 93 8.417 -7.502 -6.637 693 HG LEU 93 HG LEU 93 10.234 -6.202 -4.629 694 HD11 LEU 93 HD11 LEU 93 11.321 -6.070 -6.801 695 HD12 LEU 93 HD12 LEU 93 10.712 -4.496 -6.292 696 HD13 LEU 93 HD13 LEU 93 9.839 -5.428 -7.513 697 HD21 LEU 93 HD21 LEU 93 7.878 -5.766 -4.344 698 HD22 LEU 93 HD22 LEU 93 7.724 -5.321 -6.044 699 HD23 LEU 93 HD23 LEU 93 8.682 -4.320 -4.954 700 H ARG 94 HN ARG 94 10.153 -10.506 -5.371 701 HA ARG 94 HA ARG 94 8.217 -11.932 -6.855 702 HB2 ARG 94 HB2 ARG 94 9.830 -13.474 -7.282 703 HB3 ARG 94 HB1 ARG 94 10.833 -12.100 -6.833 704 HG2 ARG 94 HG2 ARG 94 10.990 -12.958 -4.575 705 HG3 ARG 94 HG1 ARG 94 9.990 -14.328 -5.040 706 HD2 ARG 94 HD2 ARG 94 11.678 -15.060 -6.625 707 HD3 ARG 94 HD1 ARG 94 12.660 -13.645 -6.259 708 HE ARG 94 HE ARG 94 12.033 -15.544 -4.115 709 HH11 ARG 94 HH11 ARG 94 14.372 -14.081 -6.264 710 HH12 ARG 94 HH12 ARG 94 15.746 -14.688 -5.394 711 HH21 ARG 94 HH21 ARG 94 13.846 -16.338 -2.954 712 HH22 ARG 94 HH22 ARG 94 15.447 -15.966 -3.512 713 H LYS 95 HN LYS 95 8.978 -11.792 -3.497 714 HA LYS 95 HA LYS 95 7.503 -14.170 -2.798 715 HB2 LYS 95 HB2 LYS 95 8.509 -11.913 -1.059 716 HB3 LYS 95 HB1 LYS 95 7.873 -13.446 -0.478 717 HG2 LYS 95 HG2 LYS 95 9.724 -14.632 -1.488 718 HG3 LYS 95 HG1 LYS 95 10.342 -13.126 -2.169 719 HD2 LYS 95 HD2 LYS 95 10.605 -12.238 0.120 720 HD3 LYS 95 HD1 LYS 95 10.071 -13.793 0.760 721 HE2 LYS 95 HE2 LYS 95 11.965 -14.885 -0.349 722 HE3 LYS 95 HE1 LYS 95 12.501 -13.323 -0.964 723 HZ1 LYS 95 HZ1 LYS 95 12.300 -14.086 1.900 724 HZ2 LYS 95 HZ2 LYS 95 12.802 -12.580 1.318 725 HZ3 LYS 95 HZ3 LYS 95 13.729 -13.956 1.004 726 H ILE 96 HN ILE 96 7.000 -10.713 -2.841 727 HA ILE 96 HA ILE 96 4.522 -10.629 -1.515 728 HB ILE 96 HB ILE 96 5.629 -8.758 -3.618 729 HG12 ILE 96 HG12 ILE 96 5.728 -8.569 -0.599 730 HG13 ILE 96 HG11 ILE 96 7.088 -9.003 -1.632 731 HG21 ILE 96 HG21 ILE 96 3.400 -8.409 -1.632 732 HG22 ILE 96 HG22 ILE 96 3.264 -8.452 -3.389 733 HG23 ILE 96 HG23 ILE 96 4.096 -7.113 -2.600 734 HD11 ILE 96 HD11 ILE 96 7.130 -6.656 -0.879 735 HD12 ILE 96 HD12 ILE 96 5.619 -6.379 -1.751 736 HD13 ILE 96 HD13 ILE 96 7.081 -6.819 -2.634 737 H ASP 97 HN ASP 97 5.292 -10.444 -4.983 738 HA ASP 97 HA ASP 97 4.092 -10.861 -6.860 739 HB2 ASP 97 HB2 ASP 97 4.170 -13.172 -5.843 740 HB3 ASP 97 HB1 ASP 97 2.560 -12.866 -5.197 741 H ALA 98 HN ALA 98 3.204 -8.721 -6.632 742 HA ALA 98 HA ALA 98 0.323 -8.708 -6.675 743 HB1 ALA 98 HB1 ALA 98 0.058 -7.003 -4.935 744 HB2 ALA 98 HB2 ALA 98 1.782 -7.084 -4.582 745 HB3 ALA 98 HB3 ALA 98 0.752 -8.479 -4.265 746 HA PRO 99 HA PRO 99 0.929 -5.384 -9.540 747 HB2 PRO 99 HB2 PRO 99 -1.116 -3.815 -8.074 748 HB3 PRO 99 HB1 PRO 99 -1.089 -4.316 -9.767 749 HG2 PRO 99 HG2 PRO 99 -2.724 -5.499 -8.052 750 HG3 PRO 99 HG1 PRO 99 -1.852 -6.451 -9.265 751 HD2 PRO 99 HD2 PRO 99 -1.237 -6.095 -6.358 752 HD3 PRO 99 HD1 PRO 99 -1.226 -7.579 -7.336 753 H VAL 100 HN VAL 100 2.218 -3.611 -9.730 754 HA VAL 100 HA VAL 100 2.718 -2.041 -7.308 755 HB VAL 100 HB VAL 100 4.914 -2.344 -7.292 756 HG11 VAL 100 HG11 VAL 100 4.285 -4.572 -9.211 757 HG12 VAL 100 HG12 VAL 100 4.205 -4.640 -7.451 758 HG13 VAL 100 HG13 VAL 100 5.761 -4.431 -8.255 759 HG21 VAL 100 HG21 VAL 100 4.909 -2.232 -10.283 760 HG22 VAL 100 HG22 VAL 100 6.354 -2.340 -9.277 761 HG23 VAL 100 HG23 VAL 100 5.296 -0.934 -9.155 762 H MET 101 HN MET 101 3.216 0.109 -7.575 763 HA MET 101 HA MET 101 2.827 1.238 -10.271 764 HB2 MET 101 HB2 MET 101 1.965 2.395 -7.603 765 HB3 MET 101 HB1 MET 101 1.859 3.237 -9.141 766 HG2 MET 101 HG2 MET 101 0.501 0.609 -8.704 767 HG3 MET 101 HG1 MET 101 -0.248 2.124 -8.209 768 HE1 MET 101 HE1 MET 101 -1.347 3.825 -9.809 769 HE2 MET 101 HE2 MET 101 -0.919 3.961 -11.514 770 HE3 MET 101 HE3 MET 101 0.309 4.219 -10.274 771 H ALA 102 HN ALA 102 4.774 1.898 -10.923 772 HA ALA 102 HA ALA 102 6.927 2.264 -9.089 773 HB1 ALA 102 HB1 ALA 102 7.230 1.312 -11.337 774 HB2 ALA 102 HB2 ALA 102 8.279 2.700 -11.048 775 HB3 ALA 102 HB3 ALA 102 6.831 2.880 -12.036 776 H LYS 103 HN LYS 103 8.079 4.115 -8.599 777 HA LYS 103 HA LYS 103 6.581 6.605 -8.811 778 HB2 LYS 103 HB2 LYS 103 9.094 5.895 -7.282 779 HB3 LYS 103 HB1 LYS 103 8.345 7.483 -7.265 780 HG2 LYS 103 HG2 LYS 103 6.346 6.565 -6.256 781 HG3 LYS 103 HG1 LYS 103 7.022 4.940 -6.345 782 HD2 LYS 103 HD2 LYS 103 8.745 5.503 -4.776 783 HD3 LYS 103 HD1 LYS 103 8.284 7.206 -4.807 784 HE2 LYS 103 HE2 LYS 103 6.189 6.722 -3.747 785 HE3 LYS 103 HE1 LYS 103 6.464 4.988 -3.888 786 HZ1 LYS 103 HZ1 LYS 103 8.159 5.062 -2.279 787 HZ2 LYS 103 HZ2 LYS 103 6.884 5.985 -1.638 788 HZ3 LYS 103 HZ3 LYS 103 8.244 6.760 -2.300 789 HA PRO 104 HA PRO 104 6.993 8.819 -8.698 790 HB2 PRO 104 HB2 PRO 104 6.424 10.372 -11.090 791 HB3 PRO 104 HB1 PRO 104 7.134 10.903 -9.565 792 HG2 PRO 104 HG2 PRO 104 8.553 10.770 -11.871 793 HG3 PRO 104 HG1 PRO 104 9.283 10.512 -10.275 794 HD2 PRO 104 HD2 PRO 104 8.421 8.492 -12.313 795 HD3 PRO 104 HD1 PRO 104 9.884 8.522 -11.306 796 H ALA 105 HN ALA 105 4.810 8.822 -8.528 797 HA ALA 105 HA ALA 105 3.144 7.907 -10.745 798 HB1 ALA 105 HB1 ALA 105 3.101 6.592 -8.018 799 HB2 ALA 105 HB2 ALA 105 3.754 5.861 -9.493 800 HB3 ALA 105 HB3 ALA 105 2.027 6.225 -9.378 801 H ASP 106 HN ASP 106 1.192 8.952 -10.731 802 HA ASP 106 HA ASP 106 0.725 10.955 -8.747 803 HB2 ASP 106 HB2 ASP 106 -0.111 11.076 -11.147 804 HB3 ASP 106 HB1 ASP 106 -1.330 9.888 -10.693 805 H THR 107 HN THR 107 -0.344 10.824 -6.942 806 HA THR 107 HA THR 107 -0.701 8.305 -5.784 807 HB THR 107 HB THR 107 -1.717 9.677 -3.887 808 HG1 THR 107 HG1 THR 107 -2.166 11.703 -4.330 809 HG21 THR 107 HG21 THR 107 0.471 10.621 -3.307 810 HG22 THR 107 HG22 THR 107 0.994 10.443 -4.984 811 HG23 THR 107 HG23 THR 107 0.649 9.012 -4.008 812 H SER 108 HN SER 108 -2.905 10.326 -7.540 813 HA SER 108 HA SER 108 -5.307 9.188 -6.521 814 HB2 SER 108 HB2 SER 108 -6.366 10.128 -8.552 815 HB3 SER 108 HB1 SER 108 -5.341 11.313 -7.744 816 HG SER 108 HG SER 108 -3.830 11.114 -9.309 817 H ASP 109 HN ASP 109 -3.168 8.424 -9.231 818 HA ASP 109 HA ASP 109 -4.757 6.325 -10.296 819 HB2 ASP 109 HB2 ASP 109 -1.830 6.996 -10.561 820 HB3 ASP 109 HB1 ASP 109 -2.557 5.611 -11.370 821 H VAL 110 HN VAL 110 -2.173 6.491 -7.956 822 HA VAL 110 HA VAL 110 -1.837 3.726 -7.559 823 HB VAL 110 HB VAL 110 -1.437 5.910 -5.510 824 HG11 VAL 110 HG11 VAL 110 0.077 4.411 -4.449 825 HG12 VAL 110 HG12 VAL 110 -0.022 3.267 -5.788 826 HG13 VAL 110 HG13 VAL 110 -1.422 3.521 -4.742 827 HG21 VAL 110 HG21 VAL 110 0.477 4.867 -7.599 828 HG22 VAL 110 HG22 VAL 110 0.873 6.015 -6.319 829 HG23 VAL 110 HG23 VAL 110 -0.276 6.464 -7.583 830 H ALA 111 HN ALA 111 -3.896 6.145 -6.009 831 HA ALA 111 HA ALA 111 -5.010 4.430 -4.050 832 HB1 ALA 111 HB1 ALA 111 -5.004 6.860 -3.815 833 HB2 ALA 111 HB2 ALA 111 -6.642 6.212 -3.701 834 HB3 ALA 111 HB3 ALA 111 -6.106 7.000 -5.186 835 H LYS 112 HN LYS 112 -6.198 5.572 -7.194 836 HA LYS 112 HA LYS 112 -8.719 4.408 -7.108 837 HB2 LYS 112 HB2 LYS 112 -6.927 5.031 -9.454 838 HB3 LYS 112 HB1 LYS 112 -8.574 4.442 -9.643 839 HG2 LYS 112 HG2 LYS 112 -9.382 6.391 -8.365 840 HG3 LYS 112 HG1 LYS 112 -7.729 6.992 -8.286 841 HD2 LYS 112 HD2 LYS 112 -9.156 6.428 -10.877 842 HD3 LYS 112 HD1 LYS 112 -9.199 7.996 -10.078 843 HE2 LYS 112 HE2 LYS 112 -7.411 8.408 -11.390 844 HE3 LYS 112 HE1 LYS 112 -6.544 7.569 -10.108 845 HZ1 LYS 112 HZ1 LYS 112 -6.777 5.506 -11.408 846 HZ2 LYS 112 HZ2 LYS 112 -5.896 6.695 -12.230 847 HZ3 LYS 112 HZ3 LYS 112 -7.504 6.388 -12.656 848 H ARG 113 HN ARG 113 -5.764 3.073 -8.601 849 HA ARG 113 HA ARG 113 -6.955 0.655 -9.385 850 HB2 ARG 113 HB2 ARG 113 -4.081 1.390 -8.903 851 HB3 ARG 113 HB1 ARG 113 -4.580 -0.182 -9.519 852 HG2 ARG 113 HG2 ARG 113 -5.170 2.466 -10.827 853 HG3 ARG 113 HG1 ARG 113 -3.909 1.336 -11.305 854 HD2 ARG 113 HD2 ARG 113 -5.555 -0.346 -11.839 855 HD3 ARG 113 HD1 ARG 113 -6.850 0.695 -11.255 856 HE ARG 113 HE ARG 113 -5.499 2.079 -13.258 857 HH11 ARG 113 HH11 ARG 113 -7.418 -0.824 -12.929 858 HH12 ARG 113 HH12 ARG 113 -8.082 -0.721 -14.528 859 HH21 ARG 113 HH21 ARG 113 -6.380 2.228 -15.364 860 HH22 ARG 113 HH22 ARG 113 -7.495 1.017 -15.911 861 H ALA 114 HN ALA 114 -5.474 1.636 -6.363 862 HA ALA 114 HA ALA 114 -5.299 -0.946 -5.211 863 HB1 ALA 114 HB1 ALA 114 -5.554 1.759 -3.898 864 HB2 ALA 114 HB2 ALA 114 -4.052 0.906 -4.259 865 HB3 ALA 114 HB3 ALA 114 -5.171 0.263 -3.049 866 H LEU 115 HN LEU 115 -7.775 1.602 -5.040 867 HA LEU 115 HA LEU 115 -9.538 0.091 -3.409 868 HB2 LEU 115 HB2 LEU 115 -9.982 2.519 -5.116 869 HB3 LEU 115 HB1 LEU 115 -11.191 1.839 -4.043 870 HG LEU 115 HG LEU 115 -8.509 2.940 -3.204 871 HD11 LEU 115 HD11 LEU 115 -9.855 4.670 -2.117 872 HD12 LEU 115 HD12 LEU 115 -11.305 3.981 -2.846 873 HD13 LEU 115 HD13 LEU 115 -10.045 4.672 -3.869 874 HD21 LEU 115 HD21 LEU 115 -9.326 2.619 -0.919 875 HD22 LEU 115 HD22 LEU 115 -9.197 1.089 -1.783 876 HD23 LEU 115 HD23 LEU 115 -10.776 1.833 -1.548 877 H GLU 116 HN GLU 116 -9.057 0.315 -6.858 878 HA GLU 116 HA GLU 116 -11.441 -0.868 -7.737 879 HB2 GLU 116 HB2 GLU 116 -8.643 -1.014 -8.855 880 HB3 GLU 116 HB1 GLU 116 -10.046 -1.671 -9.683 881 HG2 GLU 116 HG2 GLU 116 -9.734 1.213 -8.892 882 HG3 GLU 116 HG1 GLU 116 -9.349 0.565 -10.485 883 H MET 117 HN MET 117 -8.515 -2.272 -6.391 884 HA MET 117 HA MET 117 -9.414 -4.984 -6.797 885 HB2 MET 117 HB2 MET 117 -7.142 -3.926 -5.110 886 HB3 MET 117 HB1 MET 117 -7.417 -5.614 -5.515 887 HG2 MET 117 HG2 MET 117 -7.172 -4.969 -7.924 888 HG3 MET 117 HG1 MET 117 -6.659 -3.379 -7.368 889 HE1 MET 117 HE1 MET 117 -3.434 -4.323 -5.293 890 HE2 MET 117 HE2 MET 117 -5.054 -4.475 -4.612 891 HE3 MET 117 HE3 MET 117 -4.647 -3.084 -5.619 892 H CYS 118 HN CYS 118 -10.042 -2.537 -4.583 893 HA CYS 118 HA CYS 118 -10.481 -4.269 -2.302 894 HB2 CYS 118 HB2 CYS 118 -9.580 -2.013 -1.954 895 HB3 CYS 118 HB1 CYS 118 -11.024 -1.318 -2.679 896 HG CYS 118 HG CYS 118 -11.552 -3.343 -0.049 897 H GLY 119 HN GLY 119 -12.448 -2.194 -4.432 898 HA2 GLY 119 HA2 GLY 119 -14.555 -3.918 -4.768 899 HA3 GLY 119 HA1 GLY 119 -14.911 -3.054 -3.280 900 H GLY 120 HN GLY 120 -16.455 -2.953 -5.613 901 HA2 GLY 120 HA2 GLY 120 -16.703 -0.118 -5.886 902 HA3 GLY 120 HA1 GLY 120 -16.099 -0.872 -7.356 903 H ASP 121 HN ASP 121 -17.388 -2.577 -8.309 904 HA ASP 121 HA ASP 121 -20.156 -2.776 -7.460 905 HB2 ASP 121 HB2 ASP 121 -20.124 -0.796 -8.954 906 HB3 ASP 121 HB1 ASP 121 -19.433 -1.790 -10.231 907 H LYS 122 HN LYS 122 -20.318 -4.890 -7.310 908 HA LYS 122 HA LYS 122 -20.414 -7.087 -7.830 909 HB2 LYS 122 HB2 LYS 122 -21.323 -6.455 -9.997 910 HB3 LYS 122 HB1 LYS 122 -19.698 -6.224 -10.630 911 HG2 LYS 122 HG2 LYS 122 -19.218 -8.574 -10.373 912 HG3 LYS 122 HG1 LYS 122 -20.784 -8.838 -9.605 913 HD2 LYS 122 HD2 LYS 122 -20.896 -9.540 -11.904 914 HD3 LYS 122 HD1 LYS 122 -21.884 -8.097 -11.684 915 HE2 LYS 122 HE2 LYS 122 -20.095 -6.721 -12.615 916 HE3 LYS 122 HE1 LYS 122 -19.086 -8.154 -12.809 917 HZ1 LYS 122 HZ1 LYS 122 -20.679 -9.041 -14.369 918 HZ2 LYS 122 HZ2 LYS 122 -20.177 -7.508 -14.878 919 HZ3 LYS 122 HZ3 LYS 122 -21.692 -7.704 -14.154 920 H GLU 123 HN GLU 123 -18.960 -8.302 -6.921 921 HA GLU 123 HA GLU 123 -16.186 -7.880 -6.970 922 HB2 GLU 123 HB2 GLU 123 -17.748 -10.389 -6.321 923 HB3 GLU 123 HB1 GLU 123 -16.051 -10.135 -5.945 924 HG2 GLU 123 HG2 GLU 123 -18.242 -8.365 -4.909 925 HG3 GLU 123 HG1 GLU 123 -17.667 -9.796 -4.055 926 HA PRO 124 HA PRO 124 -15.303 -9.768 -10.923 927 HB2 PRO 124 HB2 PRO 124 -12.623 -9.511 -10.856 928 HB3 PRO 124 HB1 PRO 124 -13.692 -8.131 -11.128 929 HG2 PRO 124 HG2 PRO 124 -12.300 -8.987 -8.626 930 HG3 PRO 124 HG1 PRO 124 -12.521 -7.355 -9.279 931 HD2 PRO 124 HD2 PRO 124 -14.053 -8.419 -7.270 932 HD3 PRO 124 HD1 PRO 124 -14.617 -7.151 -8.377 933 H ALA 125 HN ALA 125 -16.070 -11.709 -9.387 934 HA ALA 125 HA ALA 125 -13.899 -13.505 -8.700 935 HB1 ALA 125 HB1 ALA 125 -16.887 -13.917 -8.580 936 HB2 ALA 125 HB2 ALA 125 -15.863 -13.382 -7.247 937 HB3 ALA 125 HB3 ALA 125 -15.666 -15.002 -7.916 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 -16.593 2.759 -5.627 2 H2 GLY 1 HT2 GLY 1 -16.081 3.912 -4.506 3 H3 GLY 1 HT3 GLY 1 -16.524 4.389 -6.065 4 HA2 GLY 1 HA1 GLY 1 -18.277 4.928 -4.516 5 HA3 GLY 1 HA2 GLY 1 -18.804 3.705 -5.662 6 H ALA 2 HN ALA 2 -20.400 2.943 -4.262 7 HA ALA 2 HA ALA 2 -21.285 1.463 -2.790 8 HB1 ALA 2 HB1 ALA 2 -19.467 -0.052 -3.418 9 HB2 ALA 2 HB2 ALA 2 -19.894 -0.218 -1.716 10 HB3 ALA 2 HB3 ALA 2 -18.440 0.667 -2.178 11 H MET 3 HN MET 3 -22.010 1.547 -0.707 12 HA MET 3 HA MET 3 -21.238 3.835 0.805 13 HB2 MET 3 HB2 MET 3 -22.971 3.174 2.385 14 HB3 MET 3 HB1 MET 3 -23.577 3.088 0.738 15 HG2 MET 3 HG2 MET 3 -23.326 0.675 0.748 16 HG3 MET 3 HG1 MET 3 -22.644 0.738 2.372 17 HE1 MET 3 HE1 MET 3 -26.156 -0.902 2.955 18 HE2 MET 3 HE2 MET 3 -24.417 -1.063 3.202 19 HE3 MET 3 HE3 MET 3 -25.087 -1.135 1.572 20 H GLY 4 HN GLY 4 -19.843 3.995 2.408 21 HA2 GLY 4 HA2 GLY 4 -18.835 3.134 4.425 22 HA3 GLY 4 HA1 GLY 4 -18.904 1.527 3.713 23 H MET 5 HN MET 5 -16.838 3.818 4.577 24 HA MET 5 HA MET 5 -15.160 4.001 2.264 25 HB2 MET 5 HB2 MET 5 -14.703 4.698 5.161 26 HB3 MET 5 HB1 MET 5 -13.520 4.978 3.892 27 HG2 MET 5 HG2 MET 5 -15.093 6.460 2.756 28 HG3 MET 5 HG1 MET 5 -16.270 6.185 4.039 29 HE1 MET 5 HE1 MET 5 -15.140 9.048 3.005 30 HE2 MET 5 HE2 MET 5 -15.014 9.898 4.546 31 HE3 MET 5 HE3 MET 5 -16.412 8.874 4.214 32 HA PRO 6 HA PRO 6 -12.918 0.214 2.986 33 HB2 PRO 6 HB2 PRO 6 -10.841 1.022 1.233 34 HB3 PRO 6 HB1 PRO 6 -12.174 -0.072 0.880 35 HG2 PRO 6 HG2 PRO 6 -11.761 2.547 -0.126 36 HG3 PRO 6 HG1 PRO 6 -13.147 1.495 -0.406 37 HD2 PRO 6 HD2 PRO 6 -12.923 3.831 1.296 38 HD3 PRO 6 HD1 PRO 6 -14.372 2.961 0.792 39 H LYS 7 HN LYS 7 -11.278 -0.317 4.330 40 HA LYS 7 HA LYS 7 -9.839 1.872 5.587 41 HB2 LYS 7 HB2 LYS 7 -10.927 -0.042 6.848 42 HB3 LYS 7 HB1 LYS 7 -9.658 -1.078 6.217 43 HG2 LYS 7 HG2 LYS 7 -9.165 -0.377 8.479 44 HG3 LYS 7 HG1 LYS 7 -7.980 0.282 7.349 45 HD2 LYS 7 HD2 LYS 7 -8.986 2.443 7.434 46 HD3 LYS 7 HD1 LYS 7 -10.382 1.822 8.318 47 HE2 LYS 7 HE2 LYS 7 -8.975 1.328 10.235 48 HE3 LYS 7 HE1 LYS 7 -7.548 1.862 9.350 49 HZ1 LYS 7 HZ1 LYS 7 -8.484 3.520 10.927 50 HZ2 LYS 7 HZ2 LYS 7 -9.862 3.625 9.944 51 HZ3 LYS 7 HZ3 LYS 7 -8.347 4.079 9.340 52 H VAL 8 HN VAL 8 -8.156 2.583 4.478 53 HA VAL 8 HA VAL 8 -6.552 0.707 2.895 54 HB VAL 8 HB VAL 8 -6.601 3.731 2.830 55 HG11 VAL 8 HG11 VAL 8 -5.396 3.503 0.719 56 HG12 VAL 8 HG12 VAL 8 -5.357 1.751 0.927 57 HG13 VAL 8 HG13 VAL 8 -4.489 2.792 2.055 58 HG21 VAL 8 HG21 VAL 8 -8.741 2.750 2.133 59 HG22 VAL 8 HG22 VAL 8 -7.890 1.763 0.941 60 HG23 VAL 8 HG23 VAL 8 -7.901 3.521 0.785 61 H LEU 9 HN LEU 9 -4.467 0.294 3.374 62 HA LEU 9 HA LEU 9 -3.238 1.832 5.554 63 HB2 LEU 9 HB2 LEU 9 -3.545 -0.486 6.130 64 HB3 LEU 9 HB1 LEU 9 -2.782 -1.005 4.642 65 HG LEU 9 HG LEU 9 -0.635 -0.134 5.412 66 HD11 LEU 9 HD11 LEU 9 -0.373 0.746 7.661 67 HD12 LEU 9 HD12 LEU 9 -2.106 0.575 7.949 68 HD13 LEU 9 HD13 LEU 9 -1.521 1.730 6.750 69 HD21 LEU 9 HD21 LEU 9 -0.289 -1.682 7.306 70 HD22 LEU 9 HD22 LEU 9 -1.144 -2.423 5.951 71 HD23 LEU 9 HD23 LEU 9 -2.035 -1.924 7.391 72 H VAL 10 HN VAL 10 -1.831 3.290 4.829 73 HA VAL 10 HA VAL 10 -0.384 2.789 2.345 74 HB VAL 10 HB VAL 10 -0.708 5.265 4.033 75 HG11 VAL 10 HG11 VAL 10 0.680 6.458 2.416 76 HG12 VAL 10 HG12 VAL 10 1.016 4.947 1.572 77 HG13 VAL 10 HG13 VAL 10 1.611 5.191 3.214 78 HG21 VAL 10 HG21 VAL 10 -2.556 4.680 2.559 79 HG22 VAL 10 HG22 VAL 10 -1.446 4.598 1.188 80 HG23 VAL 10 HG23 VAL 10 -1.741 6.141 1.998 81 H LEU 11 HN LEU 11 1.551 2.036 2.299 82 HA LEU 11 HA LEU 11 3.315 2.270 4.636 83 HB2 LEU 11 HB2 LEU 11 2.821 0.177 2.714 84 HB3 LEU 11 HB1 LEU 11 4.515 0.632 2.680 85 HG LEU 11 HG LEU 11 4.235 -1.226 4.179 86 HD11 LEU 11 HD11 LEU 11 4.586 1.356 5.723 87 HD12 LEU 11 HD12 LEU 11 5.851 0.459 4.879 88 HD13 LEU 11 HD13 LEU 11 5.054 -0.250 6.283 89 HD21 LEU 11 HD21 LEU 11 1.800 -0.778 4.550 90 HD22 LEU 11 HD22 LEU 11 2.260 0.473 5.707 91 HD23 LEU 11 HD23 LEU 11 2.696 -1.209 6.001 92 H GLU 12 HN GLU 12 4.365 4.136 4.446 93 HA GLU 12 HA GLU 12 6.066 4.632 2.182 94 HB2 GLU 12 HB2 GLU 12 3.961 5.463 1.266 95 HB3 GLU 12 HB1 GLU 12 3.692 6.437 2.702 96 HG2 GLU 12 HG2 GLU 12 4.450 7.742 0.778 97 HG3 GLU 12 HG1 GLU 12 5.551 7.853 2.148 98 H ASP 13 HN ASP 13 7.818 5.711 2.857 99 HA ASP 13 HA ASP 13 7.832 6.570 5.641 100 HB2 ASP 13 HB2 ASP 13 9.611 5.056 4.884 101 HB3 ASP 13 HB1 ASP 13 10.120 6.247 3.697 102 H GLU 14 HN GLU 14 7.796 7.896 2.473 103 HA GLU 14 HA GLU 14 8.710 10.502 3.294 104 HB2 GLU 14 HB2 GLU 14 9.129 9.612 1.020 105 HB3 GLU 14 HB1 GLU 14 7.390 9.593 0.739 106 HG2 GLU 14 HG2 GLU 14 8.308 11.534 -0.256 107 HG3 GLU 14 HG1 GLU 14 7.334 11.987 1.132 108 HA PRO 15 HA PRO 15 4.613 11.161 5.047 109 HB2 PRO 15 HB2 PRO 15 5.648 13.879 5.400 110 HB3 PRO 15 HB1 PRO 15 4.974 12.772 6.591 111 HG2 PRO 15 HG2 PRO 15 7.603 13.309 6.483 112 HG3 PRO 15 HG1 PRO 15 6.989 11.712 6.945 113 HD2 PRO 15 HD2 PRO 15 8.210 12.612 4.382 114 HD3 PRO 15 HD1 PRO 15 8.323 11.042 5.202 115 H LEU 16 HN LEU 16 6.216 13.228 2.700 116 HA LEU 16 HA LEU 16 3.934 14.685 1.902 117 HB2 LEU 16 HB2 LEU 16 6.286 15.260 1.314 118 HB3 LEU 16 HB1 LEU 16 6.317 13.895 0.221 119 HG LEU 16 HG LEU 16 5.953 16.226 -0.772 120 HD11 LEU 16 HD11 LEU 16 3.994 14.048 -1.449 121 HD12 LEU 16 HD12 LEU 16 5.640 14.191 -2.063 122 HD13 LEU 16 HD13 LEU 16 4.433 15.405 -2.486 123 HD21 LEU 16 HD21 LEU 16 3.655 17.032 -0.815 124 HD22 LEU 16 HD22 LEU 16 4.291 17.003 0.830 125 HD23 LEU 16 HD23 LEU 16 3.180 15.743 0.291 126 H ILE 17 HN ILE 17 5.422 11.750 0.562 127 HA ILE 17 HA ILE 17 3.419 11.275 -1.380 128 HB ILE 17 HB ILE 17 5.294 9.290 -0.073 129 HG12 ILE 17 HG12 ILE 17 5.604 10.881 -2.614 130 HG13 ILE 17 HG11 ILE 17 6.477 11.142 -1.124 131 HG21 ILE 17 HG21 ILE 17 3.665 9.146 -2.588 132 HG22 ILE 17 HG22 ILE 17 3.551 8.105 -1.164 133 HG23 ILE 17 HG23 ILE 17 4.979 8.040 -2.198 134 HD11 ILE 17 HD11 ILE 17 7.839 9.972 -2.749 135 HD12 ILE 17 HD12 ILE 17 6.636 8.684 -2.835 136 HD13 ILE 17 HD13 ILE 17 7.527 8.961 -1.338 137 H ALA 18 HN ALA 18 3.938 10.059 1.902 138 HA ALA 18 HA ALA 18 1.831 8.237 2.023 139 HB1 ALA 18 HB1 ALA 18 3.612 8.398 3.705 140 HB2 ALA 18 HB2 ALA 18 2.008 8.431 4.435 141 HB3 ALA 18 HB3 ALA 18 2.932 9.924 4.268 142 H MET 19 HN MET 19 1.904 11.662 2.978 143 HA MET 19 HA MET 19 -0.810 11.817 3.697 144 HB2 MET 19 HB2 MET 19 1.070 13.361 4.359 145 HB3 MET 19 HB1 MET 19 0.942 14.065 2.754 146 HG2 MET 19 HG2 MET 19 -1.345 14.704 3.190 147 HG3 MET 19 HG1 MET 19 -1.256 13.963 4.784 148 HE1 MET 19 HE1 MET 19 1.604 15.990 3.004 149 HE2 MET 19 HE2 MET 19 1.244 17.633 3.532 150 HE3 MET 19 HE3 MET 19 0.130 16.788 2.457 151 H ASN 20 HN ASN 20 0.907 12.374 0.666 152 HA ASN 20 HA ASN 20 -1.231 13.514 -0.753 153 HB2 ASN 20 HB2 ASN 20 1.380 12.247 -1.417 154 HB3 ASN 20 HB1 ASN 20 0.225 12.460 -2.709 155 HD21 ASN 20 HD21 ASN 20 1.671 13.921 -3.706 156 HD22 ASN 20 HD22 ASN 20 1.856 15.537 -3.122 157 H LEU 21 HN LEU 21 -0.093 10.158 -0.440 158 HA LEU 21 HA LEU 21 -2.112 8.978 -2.000 159 HB2 LEU 21 HB2 LEU 21 -0.408 7.991 0.264 160 HB3 LEU 21 HB1 LEU 21 -1.598 6.967 -0.499 161 HG LEU 21 HG LEU 21 0.618 8.309 -2.024 162 HD11 LEU 21 HD11 LEU 21 0.549 5.512 -0.909 163 HD12 LEU 21 HD12 LEU 21 1.574 6.826 -0.332 164 HD13 LEU 21 HD13 LEU 21 1.792 6.187 -1.961 165 HD21 LEU 21 HD21 LEU 21 -1.336 7.621 -3.310 166 HD22 LEU 21 HD22 LEU 21 -1.192 5.991 -2.658 167 HD23 LEU 21 HD23 LEU 21 0.072 6.635 -3.705 168 H GLN 22 HN GLN 22 -1.871 9.689 1.441 169 HA GLN 22 HA GLN 22 -4.254 8.644 2.348 170 HB2 GLN 22 HB2 GLN 22 -2.431 9.683 3.717 171 HB3 GLN 22 HB1 GLN 22 -3.022 11.259 3.219 172 HG2 GLN 22 HG2 GLN 22 -5.178 10.759 4.288 173 HG3 GLN 22 HG1 GLN 22 -4.519 9.222 4.836 174 HE21 GLN 22 HE21 GLN 22 -4.779 9.736 6.996 175 HE22 GLN 22 HE22 GLN 22 -3.766 10.889 7.797 176 H TYR 23 HN TYR 23 -3.674 11.949 1.136 177 HA TYR 23 HA TYR 23 -6.381 12.737 1.219 178 HB2 TYR 23 HB2 TYR 23 -3.918 13.790 -0.087 179 HB3 TYR 23 HB1 TYR 23 -5.475 14.416 -0.612 180 HD1 TYR 23 HD2 TYR 23 -7.024 15.394 1.185 181 HD2 TYR 23 HD1 TYR 23 -2.896 14.610 1.840 182 HE1 TYR 23 HE2 TYR 23 -7.041 16.931 3.106 183 HE2 TYR 23 HE1 TYR 23 -2.903 16.140 3.760 184 HH TYR 23 HH TYR 23 -4.197 18.048 4.585 185 H ALA 24 HN ALA 24 -4.542 10.966 -1.163 186 HA ALA 24 HA ALA 24 -6.350 11.388 -3.326 187 HB1 ALA 24 HB1 ALA 24 -3.987 10.709 -3.627 188 HB2 ALA 24 HB2 ALA 24 -5.126 9.671 -4.482 189 HB3 ALA 24 HB3 ALA 24 -4.392 9.122 -2.974 190 H PHE 25 HN PHE 25 -5.870 8.736 -1.014 191 HA PHE 25 HA PHE 25 -8.026 7.167 -1.973 192 HB2 PHE 25 HB2 PHE 25 -6.466 7.193 0.594 193 HB3 PHE 25 HB1 PHE 25 -7.848 6.128 0.382 194 HD1 PHE 25 HD2 PHE 25 -7.795 4.351 -1.300 195 HD2 PHE 25 HD1 PHE 25 -4.383 6.753 -0.476 196 HE1 PHE 25 HE2 PHE 25 -6.365 2.690 -2.409 197 HE2 PHE 25 HE1 PHE 25 -2.944 5.096 -1.591 198 HZ PHE 25 HZ PHE 25 -3.935 3.061 -2.554 199 H GLU 26 HN GLU 26 -7.741 9.568 0.625 200 HA GLU 26 HA GLU 26 -10.385 9.315 1.566 201 HB2 GLU 26 HB2 GLU 26 -8.457 11.628 1.660 202 HB3 GLU 26 HB1 GLU 26 -10.033 11.664 2.439 203 HG2 GLU 26 HG2 GLU 26 -9.246 9.501 3.602 204 HG3 GLU 26 HG1 GLU 26 -7.635 10.009 3.096 205 H ASP 27 HN ASP 27 -8.999 11.067 -1.115 206 HA ASP 27 HA ASP 27 -11.281 12.620 -1.746 207 HB2 ASP 27 HB2 ASP 27 -9.126 13.215 -2.655 208 HB3 ASP 27 HB1 ASP 27 -9.007 11.663 -3.468 209 H GLU 28 HN GLU 28 -10.277 9.355 -2.514 210 HA GLU 28 HA GLU 28 -12.521 8.885 -4.274 211 HB2 GLU 28 HB2 GLU 28 -10.437 7.060 -3.080 212 HB3 GLU 28 HB1 GLU 28 -11.751 6.475 -4.090 213 HG2 GLU 28 HG2 GLU 28 -9.627 8.436 -4.912 214 HG3 GLU 28 HG1 GLU 28 -9.695 6.736 -5.354 215 H GLY 29 HN GLY 29 -12.499 9.500 -1.159 216 HA2 GLY 29 HA2 GLY 29 -14.118 9.203 0.450 217 HA3 GLY 29 HA1 GLY 29 -14.982 8.166 -0.675 218 H ALA 30 HN ALA 30 -11.770 7.941 0.859 219 HA ALA 30 HA ALA 30 -12.659 5.440 2.103 220 HB1 ALA 30 HB1 ALA 30 -11.401 4.821 0.122 221 HB2 ALA 30 HB2 ALA 30 -10.484 4.408 1.572 222 HB3 ALA 30 HB3 ALA 30 -10.054 5.839 0.636 223 H GLU 31 HN GLU 31 -11.143 4.692 3.823 224 HA GLU 31 HA GLU 31 -10.228 7.018 5.381 225 HB2 GLU 31 HB2 GLU 31 -12.119 5.672 6.313 226 HB3 GLU 31 HB1 GLU 31 -11.046 4.283 6.370 227 HG2 GLU 31 HG2 GLU 31 -9.631 5.388 7.974 228 HG3 GLU 31 HG1 GLU 31 -10.599 6.857 7.857 229 H VAL 32 HN VAL 32 -8.119 7.118 5.931 230 HA VAL 32 HA VAL 32 -6.445 4.923 4.882 231 HB VAL 32 HB VAL 32 -5.724 7.845 5.004 232 HG11 VAL 32 HG11 VAL 32 -3.830 6.250 5.030 233 HG12 VAL 32 HG12 VAL 32 -3.864 7.262 3.588 234 HG13 VAL 32 HG13 VAL 32 -4.407 5.585 3.501 235 HG21 VAL 32 HG21 VAL 32 -6.640 6.248 2.618 236 HG22 VAL 32 HG22 VAL 32 -6.119 7.935 2.613 237 HG23 VAL 32 HG23 VAL 32 -7.593 7.470 3.462 238 H VAL 33 HN VAL 33 -4.829 4.124 6.074 239 HA VAL 33 HA VAL 33 -4.060 5.501 8.561 240 HB VAL 33 HB VAL 33 -3.534 2.628 7.836 241 HG11 VAL 33 HG11 VAL 33 -2.979 2.379 10.202 242 HG12 VAL 33 HG12 VAL 33 -3.287 4.096 10.454 243 HG13 VAL 33 HG13 VAL 33 -1.952 3.582 9.423 244 HG21 VAL 33 HG21 VAL 33 -5.299 2.039 9.435 245 HG22 VAL 33 HG22 VAL 33 -5.925 2.943 8.056 246 HG23 VAL 33 HG23 VAL 33 -5.693 3.750 9.606 247 H VAL 34 HN VAL 34 -1.885 6.009 8.839 248 HA VAL 34 HA VAL 34 -0.225 5.637 6.436 249 HB VAL 34 HB VAL 34 -0.075 7.832 8.511 250 HG11 VAL 34 HG11 VAL 34 1.543 7.326 6.025 251 HG12 VAL 34 HG12 VAL 34 2.124 7.379 7.688 252 HG13 VAL 34 HG13 VAL 34 1.541 8.851 6.909 253 HG21 VAL 34 HG21 VAL 34 -0.821 9.305 6.702 254 HG22 VAL 34 HG22 VAL 34 -2.019 8.056 7.051 255 HG23 VAL 34 HG23 VAL 34 -0.980 7.911 5.632 256 H ALA 35 HN ALA 35 1.500 4.384 6.626 257 HA ALA 35 HA ALA 35 2.861 4.204 9.222 258 HB1 ALA 35 HB1 ALA 35 1.377 2.211 8.871 259 HB2 ALA 35 HB2 ALA 35 3.086 1.839 9.086 260 HB3 ALA 35 HB3 ALA 35 2.372 1.795 7.472 261 H ALA 36 HN ALA 36 5.016 4.374 9.080 262 HA ALA 36 HA ALA 36 6.224 4.424 6.405 263 HB1 ALA 36 HB1 ALA 36 6.545 6.405 7.817 264 HB2 ALA 36 HB2 ALA 36 8.075 5.613 7.436 265 HB3 ALA 36 HB3 ALA 36 7.342 5.401 9.031 266 H THR 37 HN THR 37 5.757 2.283 8.839 267 HA THR 37 HA THR 37 8.167 0.772 8.137 268 HB THR 37 HB THR 37 8.419 0.045 10.489 269 HG1 THR 37 HG1 THR 37 7.280 1.575 12.023 270 HG21 THR 37 HG21 THR 37 8.532 3.037 10.115 271 HG22 THR 37 HG22 THR 37 9.803 1.885 9.697 272 HG23 THR 37 HG23 THR 37 9.357 2.131 11.385 273 H CYS 38 HN CYS 38 7.958 -1.510 8.471 274 HA CYS 38 HA CYS 38 5.447 -2.674 8.043 275 HB2 CYS 38 HB2 CYS 38 7.948 -3.868 9.251 276 HB3 CYS 38 HB1 CYS 38 6.544 -4.804 8.757 277 HG CYS 38 HG CYS 38 8.917 -3.329 6.853 278 H GLU 39 HN GLU 39 7.153 -1.823 10.964 279 HA GLU 39 HA GLU 39 5.622 -3.289 12.802 280 HB2 GLU 39 HB2 GLU 39 7.057 -0.681 13.239 281 HB3 GLU 39 HB1 GLU 39 6.569 -1.815 14.485 282 HG2 GLU 39 HG2 GLU 39 8.059 -3.500 13.509 283 HG3 GLU 39 HG1 GLU 39 8.580 -2.319 12.314 284 H GLN 40 HN GLN 40 5.332 0.110 11.735 285 HA GLN 40 HA GLN 40 3.001 0.723 13.161 286 HB2 GLN 40 HB2 GLN 40 4.193 1.749 10.609 287 HB3 GLN 40 HB1 GLN 40 2.663 2.363 11.191 288 HG2 GLN 40 HG2 GLN 40 3.858 2.935 13.329 289 HG3 GLN 40 HG1 GLN 40 5.351 2.561 12.472 290 HE21 GLN 40 HE21 GLN 40 6.107 3.950 10.917 291 HE22 GLN 40 HE22 GLN 40 5.444 5.531 10.661 292 H ALA 41 HN ALA 41 3.514 -0.821 10.077 293 HA ALA 41 HA ALA 41 0.853 -0.779 9.157 294 HB1 ALA 41 HB1 ALA 41 1.588 -2.263 7.481 295 HB2 ALA 41 HB2 ALA 41 2.916 -2.847 8.480 296 HB3 ALA 41 HB3 ALA 41 2.952 -1.203 7.839 297 H LEU 42 HN LEU 42 2.737 -3.364 10.735 298 HA LEU 42 HA LEU 42 0.682 -5.259 10.833 299 HB2 LEU 42 HB2 LEU 42 2.981 -4.887 12.752 300 HB3 LEU 42 HB1 LEU 42 2.032 -6.343 12.553 301 HG LEU 42 HG LEU 42 3.847 -5.131 10.473 302 HD11 LEU 42 HD11 LEU 42 5.214 -7.129 10.856 303 HD12 LEU 42 HD12 LEU 42 4.136 -7.601 12.170 304 HD13 LEU 42 HD13 LEU 42 5.086 -6.120 12.297 305 HD21 LEU 42 HD21 LEU 42 1.967 -6.222 9.417 306 HD22 LEU 42 HD22 LEU 42 2.201 -7.659 10.415 307 HD23 LEU 42 HD23 LEU 42 3.415 -7.208 9.219 308 H LYS 43 HN LYS 43 1.448 -2.542 12.859 309 HA LYS 43 HA LYS 43 -0.174 -3.189 15.075 310 HB2 LYS 43 HB2 LYS 43 1.592 -1.404 14.993 311 HB3 LYS 43 HB1 LYS 43 0.504 -0.440 14.011 312 HG2 LYS 43 HG2 LYS 43 -1.107 -0.388 15.847 313 HG3 LYS 43 HG1 LYS 43 0.000 -1.342 16.835 314 HD2 LYS 43 HD2 LYS 43 1.696 0.457 16.561 315 HD3 LYS 43 HD1 LYS 43 0.479 1.419 15.723 316 HE2 LYS 43 HE2 LYS 43 0.626 2.090 18.046 317 HE3 LYS 43 HE1 LYS 43 -0.938 1.344 17.725 318 HZ1 LYS 43 HZ1 LYS 43 -0.150 -0.692 18.722 319 HZ2 LYS 43 HZ2 LYS 43 0.041 0.584 19.811 320 HZ3 LYS 43 HZ3 LYS 43 1.380 -0.020 18.980 321 H SER 44 HN SER 44 -0.785 -1.122 12.252 322 HA SER 44 HA SER 44 -3.512 -0.664 12.878 323 HB2 SER 44 HB2 SER 44 -2.120 0.766 11.361 324 HB3 SER 44 HB1 SER 44 -2.203 -0.517 10.153 325 HG SER 44 HG SER 44 -4.197 1.216 11.074 326 H LEU 45 HN LEU 45 -1.812 -3.082 11.011 327 HA LEU 45 HA LEU 45 -3.931 -4.334 9.691 328 HB2 LEU 45 HB2 LEU 45 -1.232 -4.721 9.924 329 HB3 LEU 45 HB1 LEU 45 -1.852 -6.103 10.801 330 HG LEU 45 HG LEU 45 -1.396 -6.698 8.506 331 HD11 LEU 45 HD11 LEU 45 -3.260 -7.822 9.570 332 HD12 LEU 45 HD12 LEU 45 -3.569 -7.595 7.849 333 HD13 LEU 45 HD13 LEU 45 -4.354 -6.549 9.031 334 HD21 LEU 45 HD21 LEU 45 -1.651 -4.454 7.546 335 HD22 LEU 45 HD22 LEU 45 -3.399 -4.600 7.726 336 HD23 LEU 45 HD23 LEU 45 -2.531 -5.684 6.642 337 H ALA 46 HN ALA 46 -2.651 -4.774 12.979 338 HA ALA 46 HA ALA 46 -4.464 -6.955 13.538 339 HB1 ALA 46 HB1 ALA 46 -2.615 -5.446 15.378 340 HB2 ALA 46 HB2 ALA 46 -2.211 -6.916 14.491 341 HB3 ALA 46 HB3 ALA 46 -3.447 -6.955 15.749 342 H ASP 47 HN ASP 47 -4.289 -3.516 14.169 343 HA ASP 47 HA ASP 47 -6.349 -3.583 16.186 344 HB2 ASP 47 HB2 ASP 47 -4.446 -1.949 16.185 345 HB3 ASP 47 HB1 ASP 47 -5.188 -1.168 14.794 346 H ASN 48 HN ASN 48 -6.129 -2.759 12.776 347 HA ASN 48 HA ASN 48 -9.031 -2.230 12.778 348 HB2 ASN 48 HB2 ASN 48 -6.925 -1.042 10.967 349 HB3 ASN 48 HB1 ASN 48 -8.645 -0.762 10.823 350 HD21 ASN 48 HD21 ASN 48 -5.781 -0.035 12.537 351 HD22 ASN 48 HD22 ASN 48 -6.419 1.240 13.514 352 HA PRO 49 HA PRO 49 -9.196 -5.266 9.526 353 HB2 PRO 49 HB2 PRO 49 -11.627 -4.624 8.503 354 HB3 PRO 49 HB1 PRO 49 -11.413 -5.399 10.072 355 HG2 PRO 49 HG2 PRO 49 -12.326 -2.704 9.482 356 HG3 PRO 49 HG1 PRO 49 -12.331 -3.562 11.030 357 HD2 PRO 49 HD2 PRO 49 -10.421 -1.593 9.997 358 HD3 PRO 49 HD1 PRO 49 -10.639 -2.175 11.656 359 H ILE 50 HN ILE 50 -7.488 -4.445 8.213 360 HA ILE 50 HA ILE 50 -7.767 -2.309 6.402 361 HB ILE 50 HB ILE 50 -5.825 -4.620 6.425 362 HG12 ILE 50 HG12 ILE 50 -5.661 -3.235 8.405 363 HG13 ILE 50 HG11 ILE 50 -4.274 -2.942 7.368 364 HG21 ILE 50 HG21 ILE 50 -4.431 -3.306 4.956 365 HG22 ILE 50 HG22 ILE 50 -5.651 -2.037 4.903 366 HG23 ILE 50 HG23 ILE 50 -5.993 -3.616 4.200 367 HD11 ILE 50 HD11 ILE 50 -6.656 -1.175 7.804 368 HD12 ILE 50 HD12 ILE 50 -5.499 -0.927 6.496 369 HD13 ILE 50 HD13 ILE 50 -4.964 -0.842 8.178 370 H ASP 51 HN ASP 51 -8.794 -2.201 4.541 371 HA ASP 51 HA ASP 51 -9.846 -4.635 3.319 372 HB2 ASP 51 HB2 ASP 51 -10.423 -1.708 2.828 373 HB3 ASP 51 HB1 ASP 51 -11.121 -3.009 1.876 374 H VAL 52 HN VAL 52 -7.493 -2.142 2.794 375 HA VAL 52 HA VAL 52 -6.318 -3.558 0.608 376 HB VAL 52 HB VAL 52 -8.168 -2.374 -0.569 377 HG11 VAL 52 HG11 VAL 52 -8.419 -0.415 0.767 378 HG12 VAL 52 HG12 VAL 52 -7.962 0.082 -0.863 379 HG13 VAL 52 HG13 VAL 52 -6.764 0.086 0.427 380 HG21 VAL 52 HG21 VAL 52 -6.798 -1.379 -2.337 381 HG22 VAL 52 HG22 VAL 52 -6.139 -2.919 -1.780 382 HG23 VAL 52 HG23 VAL 52 -5.405 -1.404 -1.256 383 H ALA 53 HN ALA 53 -4.275 -2.544 -0.050 384 HA ALA 53 HA ALA 53 -3.352 -0.426 1.739 385 HB1 ALA 53 HB1 ALA 53 -1.911 -3.055 1.463 386 HB2 ALA 53 HB2 ALA 53 -2.899 -2.583 2.847 387 HB3 ALA 53 HB3 ALA 53 -1.432 -1.681 2.464 388 H VAL 54 HN VAL 54 -1.202 0.360 1.179 389 HA VAL 54 HA VAL 54 -0.343 -0.175 -1.577 390 HB VAL 54 HB VAL 54 0.178 2.547 -1.128 391 HG11 VAL 54 HG11 VAL 54 -1.793 1.076 -2.851 392 HG12 VAL 54 HG12 VAL 54 -0.193 1.694 -3.292 393 HG13 VAL 54 HG13 VAL 54 -1.521 2.816 -2.975 394 HG21 VAL 54 HG21 VAL 54 -1.522 2.537 0.639 395 HG22 VAL 54 HG22 VAL 54 -2.708 1.926 -0.515 396 HG23 VAL 54 HG23 VAL 54 -2.007 3.529 -0.735 397 H LEU 55 HN LEU 55 1.716 -0.838 -1.407 398 HA LEU 55 HA LEU 55 3.190 0.014 0.991 399 HB2 LEU 55 HB2 LEU 55 3.045 -2.618 -0.430 400 HB3 LEU 55 HB1 LEU 55 4.426 -2.225 0.566 401 HG LEU 55 HG LEU 55 3.015 -2.082 2.539 402 HD11 LEU 55 HD11 LEU 55 0.735 -2.741 0.690 403 HD12 LEU 55 HD12 LEU 55 0.969 -1.229 1.569 404 HD13 LEU 55 HD13 LEU 55 0.655 -2.726 2.450 405 HD21 LEU 55 HD21 LEU 55 3.881 -4.237 2.106 406 HD22 LEU 55 HD22 LEU 55 2.671 -4.552 0.865 407 HD23 LEU 55 HD23 LEU 55 2.192 -4.456 2.562 408 H ASP 56 HN ASP 56 4.836 1.363 0.530 409 HA ASP 56 HA ASP 56 6.286 1.173 -1.937 410 HB2 ASP 56 HB2 ASP 56 6.222 3.281 -0.575 411 HB3 ASP 56 HB1 ASP 56 7.199 2.472 0.645 412 H VAL 57 HN VAL 57 8.025 -0.007 -2.360 413 HA VAL 57 HA VAL 57 8.595 -2.183 -0.545 414 HB VAL 57 HB VAL 57 9.671 -1.707 -3.332 415 HG11 VAL 57 HG11 VAL 57 10.108 -4.081 -3.355 416 HG12 VAL 57 HG12 VAL 57 9.419 -4.250 -1.740 417 HG13 VAL 57 HG13 VAL 57 10.914 -3.341 -1.970 418 HG21 VAL 57 HG21 VAL 57 7.223 -1.736 -3.303 419 HG22 VAL 57 HG22 VAL 57 7.260 -3.300 -2.487 420 HG23 VAL 57 HG23 VAL 57 7.890 -3.145 -4.125 421 H ASN 58 HN ASN 58 9.815 0.857 -1.252 422 HA ASN 58 HA ASN 58 12.347 0.151 0.073 423 HB2 ASN 58 HB2 ASN 58 12.639 0.634 -2.398 424 HB3 ASN 58 HB1 ASN 58 12.115 2.279 -2.062 425 HD21 ASN 58 HD21 ASN 58 13.490 3.672 -0.994 426 HD22 ASN 58 HD22 ASN 58 15.153 3.302 -0.708 427 H LEU 59 HN LEU 59 10.921 0.740 1.923 428 HA LEU 59 HA LEU 59 10.012 3.312 2.462 429 HB2 LEU 59 HB2 LEU 59 11.112 1.138 4.230 430 HB3 LEU 59 HB1 LEU 59 10.583 2.666 4.893 431 HG LEU 59 HG LEU 59 8.885 0.992 5.171 432 HD11 LEU 59 HD11 LEU 59 6.992 2.121 4.182 433 HD12 LEU 59 HD12 LEU 59 8.058 2.945 3.046 434 HD13 LEU 59 HD13 LEU 59 8.169 3.296 4.772 435 HD21 LEU 59 HD21 LEU 59 7.657 0.163 3.129 436 HD22 LEU 59 HD22 LEU 59 9.189 -0.594 3.538 437 HD23 LEU 59 HD23 LEU 59 9.115 0.594 2.232 438 H GLY 60 HN GLY 60 13.138 1.822 3.198 439 HA2 GLY 60 HA2 GLY 60 14.446 4.400 2.844 440 HA3 GLY 60 HA1 GLY 60 14.594 3.662 4.435 441 HA PRO 61 HA PRO 61 18.256 2.227 1.964 442 HB2 PRO 61 HB2 PRO 61 19.192 1.917 4.747 443 HB3 PRO 61 HB1 PRO 61 20.025 2.608 3.356 444 HG2 PRO 61 HG2 PRO 61 19.042 4.169 5.289 445 HG3 PRO 61 HG1 PRO 61 18.991 4.662 3.586 446 HD2 PRO 61 HD2 PRO 61 16.802 3.648 5.332 447 HD3 PRO 61 HD1 PRO 61 16.745 4.847 4.027 448 H LYS 62 HN LYS 62 16.982 0.886 5.005 449 HA LYS 62 HA LYS 62 17.361 -1.807 3.877 450 HB2 LYS 62 HB2 LYS 62 18.847 -1.229 5.808 451 HB3 LYS 62 HB1 LYS 62 17.397 -1.102 6.787 452 HG2 LYS 62 HG2 LYS 62 18.349 -3.257 7.146 453 HG3 LYS 62 HG1 LYS 62 16.864 -3.446 6.213 454 HD2 LYS 62 HD2 LYS 62 18.133 -3.686 4.167 455 HD3 LYS 62 HD1 LYS 62 19.640 -3.401 5.039 456 HE2 LYS 62 HE2 LYS 62 19.301 -5.777 4.614 457 HE3 LYS 62 HE1 LYS 62 19.281 -5.430 6.340 458 HZ1 LYS 62 HZ1 LYS 62 16.857 -5.498 6.277 459 HZ2 LYS 62 HZ2 LYS 62 17.524 -6.957 5.747 460 HZ3 LYS 62 HZ3 LYS 62 16.894 -5.862 4.624 461 H SER 63 HN SER 63 15.270 0.323 5.713 462 HA SER 63 HA SER 63 13.297 -1.570 6.369 463 HB2 SER 63 HB2 SER 63 12.958 1.408 5.948 464 HB3 SER 63 HB1 SER 63 11.887 0.341 6.855 465 HG SER 63 HG SER 63 14.341 1.421 7.561 466 H HIS 64 HN HIS 64 11.802 -2.516 5.177 467 HA HIS 64 HA HIS 64 10.766 -1.190 2.794 468 HB2 HIS 64 HB2 HIS 64 11.045 -3.223 1.406 469 HB3 HIS 64 HB1 HIS 64 12.605 -2.603 1.928 470 HD1 HIS 64 HD1 HIS 64 10.114 -5.191 3.229 471 HD2 HIS 64 HD2 HIS 64 14.202 -4.618 2.787 472 HE1 HIS 64 HE1 HIS 64 11.174 -7.266 4.127 473 HE2 HIS 64 HE2 HIS 64 13.658 -6.863 3.952 474 H CYS 65 HN CYS 65 8.785 -2.255 1.980 475 HA CYS 65 HA CYS 65 7.123 -3.181 4.088 476 HB2 CYS 65 HB2 CYS 65 5.389 -3.245 2.405 477 HB3 CYS 65 HB1 CYS 65 6.339 -1.784 2.191 478 HG CYS 65 HG CYS 65 7.108 -4.521 0.374 479 H GLY 66 HN GLY 66 8.141 -5.138 4.821 480 HA2 GLY 66 HA2 GLY 66 8.029 -7.365 2.881 481 HA3 GLY 66 HA1 GLY 66 9.038 -7.342 4.319 482 HA PRO 67 HA PRO 67 6.060 -9.479 6.801 483 HB2 PRO 67 HB2 PRO 67 6.002 -7.148 8.625 484 HB3 PRO 67 HB1 PRO 67 6.329 -8.843 8.972 485 HG2 PRO 67 HG2 PRO 67 8.274 -6.987 8.888 486 HG3 PRO 67 HG1 PRO 67 8.537 -8.679 8.434 487 HD2 PRO 67 HD2 PRO 67 8.371 -6.277 6.724 488 HD3 PRO 67 HD1 PRO 67 9.170 -7.827 6.437 489 H VAL 68 HN VAL 68 5.477 -6.160 5.903 490 HA VAL 68 HA VAL 68 2.724 -6.031 6.600 491 HB VAL 68 HB VAL 68 3.991 -4.550 4.301 492 HG11 VAL 68 HG11 VAL 68 2.339 -2.850 4.827 493 HG12 VAL 68 HG12 VAL 68 1.746 -3.821 6.174 494 HG13 VAL 68 HG13 VAL 68 1.558 -4.403 4.519 495 HG21 VAL 68 HG21 VAL 68 5.459 -4.254 6.189 496 HG22 VAL 68 HG22 VAL 68 4.091 -3.872 7.233 497 HG23 VAL 68 HG23 VAL 68 4.539 -2.771 5.929 498 H ALA 69 HN ALA 69 4.435 -6.707 3.595 499 HA ALA 69 HA ALA 69 2.251 -7.182 1.931 500 HB1 ALA 69 HB1 ALA 69 5.052 -8.301 1.919 501 HB2 ALA 69 HB2 ALA 69 4.442 -6.921 0.998 502 HB3 ALA 69 HB3 ALA 69 3.893 -8.555 0.614 503 H ASP 70 HN ASP 70 4.128 -9.350 3.993 504 HA ASP 70 HA ASP 70 2.703 -11.710 3.400 505 HB2 ASP 70 HB2 ASP 70 4.300 -10.879 5.836 506 HB3 ASP 70 HB1 ASP 70 3.588 -12.478 5.661 507 H ALA 71 HN ALA 71 2.356 -9.317 5.999 508 HA ALA 71 HA ALA 71 0.314 -10.474 7.469 509 HB1 ALA 71 HB1 ALA 71 1.573 -8.425 8.075 510 HB2 ALA 71 HB2 ALA 71 -0.170 -8.270 8.288 511 HB3 ALA 71 HB3 ALA 71 0.617 -7.532 6.891 512 H LEU 72 HN LEU 72 0.121 -8.334 4.682 513 HA LEU 72 HA LEU 72 -2.692 -8.290 4.480 514 HB2 LEU 72 HB2 LEU 72 -0.495 -7.758 2.494 515 HB3 LEU 72 HB1 LEU 72 -2.193 -7.469 2.159 516 HG LEU 72 HG LEU 72 -0.660 -6.157 4.405 517 HD11 LEU 72 HD11 LEU 72 0.192 -5.467 2.253 518 HD12 LEU 72 HD12 LEU 72 -0.699 -4.165 3.050 519 HD13 LEU 72 HD13 LEU 72 -1.446 -5.067 1.724 520 HD21 LEU 72 HD21 LEU 72 -3.384 -5.618 3.234 521 HD22 LEU 72 HD22 LEU 72 -2.605 -4.686 4.514 522 HD23 LEU 72 HD23 LEU 72 -3.065 -6.367 4.795 523 H LYS 73 HN LYS 73 -0.192 -10.176 2.844 524 HA LYS 73 HA LYS 73 -1.876 -11.667 1.187 525 HB2 LYS 73 HB2 LYS 73 0.893 -11.975 2.213 526 HB3 LYS 73 HB1 LYS 73 0.151 -13.351 1.417 527 HG2 LYS 73 HG2 LYS 73 0.600 -10.606 0.271 528 HG3 LYS 73 HG1 LYS 73 1.409 -12.098 -0.189 529 HD2 LYS 73 HD2 LYS 73 -0.773 -13.013 -0.932 530 HD3 LYS 73 HD1 LYS 73 -1.512 -11.453 -0.573 531 HE2 LYS 73 HE2 LYS 73 -1.067 -11.552 -2.916 532 HE3 LYS 73 HE1 LYS 73 0.050 -10.403 -2.186 533 HZ1 LYS 73 HZ1 LYS 73 1.800 -11.989 -2.300 534 HZ2 LYS 73 HZ2 LYS 73 1.072 -11.930 -3.827 535 HZ3 LYS 73 HZ3 LYS 73 0.748 -13.224 -2.783 536 H GLN 74 HN GLN 74 -0.942 -12.144 4.529 537 HA GLN 74 HA GLN 74 -1.891 -14.815 4.728 538 HB2 GLN 74 HB2 GLN 74 -1.317 -12.712 6.812 539 HB3 GLN 74 HB1 GLN 74 -1.851 -14.338 7.220 540 HG2 GLN 74 HG2 GLN 74 0.659 -13.606 5.730 541 HG3 GLN 74 HG1 GLN 74 0.554 -14.158 7.401 542 HE21 GLN 74 HE21 GLN 74 1.978 -15.301 5.115 543 HE22 GLN 74 HE22 GLN 74 1.388 -16.918 4.943 544 H ARG 75 HN ARG 75 -3.458 -11.712 4.946 545 HA ARG 75 HA ARG 75 -5.944 -13.056 5.731 546 HB2 ARG 75 HB2 ARG 75 -5.251 -10.119 5.696 547 HB3 ARG 75 HB1 ARG 75 -6.794 -10.792 6.198 548 HG2 ARG 75 HG2 ARG 75 -5.523 -12.083 7.947 549 HG3 ARG 75 HG1 ARG 75 -4.128 -11.087 7.537 550 HD2 ARG 75 HD2 ARG 75 -5.305 -9.085 8.130 551 HD3 ARG 75 HD1 ARG 75 -6.800 -9.985 8.375 552 HE ARG 75 HE ARG 75 -4.868 -11.058 10.079 553 HH11 ARG 75 HH11 ARG 75 -6.614 -8.061 9.628 554 HH12 ARG 75 HH12 ARG 75 -6.572 -7.633 11.307 555 HH21 ARG 75 HH21 ARG 75 -4.835 -10.515 12.304 556 HH22 ARG 75 HH22 ARG 75 -5.590 -9.047 12.834 557 H ALA 76 HN ALA 76 -4.421 -12.549 3.015 558 HA ALA 76 HA ALA 76 -4.951 -12.336 0.824 559 HB1 ALA 76 HB1 ALA 76 -7.170 -13.045 0.113 560 HB2 ALA 76 HB2 ALA 76 -7.756 -12.915 1.771 561 HB3 ALA 76 HB3 ALA 76 -6.536 -14.119 1.360 562 H ILE 77 HN ILE 77 -4.863 -9.931 2.382 563 HA ILE 77 HA ILE 77 -6.985 -8.223 1.396 564 HB ILE 77 HB ILE 77 -4.440 -7.536 2.885 565 HG12 ILE 77 HG12 ILE 77 -7.249 -7.687 3.983 566 HG13 ILE 77 HG11 ILE 77 -6.121 -9.036 4.064 567 HG21 ILE 77 HG21 ILE 77 -5.633 -5.417 3.400 568 HG22 ILE 77 HG22 ILE 77 -6.892 -5.901 2.259 569 HG23 ILE 77 HG23 ILE 77 -5.246 -5.618 1.691 570 HD11 ILE 77 HD11 ILE 77 -6.199 -7.754 6.146 571 HD12 ILE 77 HD12 ILE 77 -5.667 -6.316 5.274 572 HD13 ILE 77 HD13 ILE 77 -4.601 -7.716 5.404 573 HA PRO 78 HA PRO 78 -4.726 -7.306 -2.311 574 HB2 PRO 78 HB2 PRO 78 -6.317 -5.292 -3.199 575 HB3 PRO 78 HB1 PRO 78 -6.688 -7.002 -3.390 576 HG2 PRO 78 HG2 PRO 78 -7.831 -5.012 -1.543 577 HG3 PRO 78 HG1 PRO 78 -8.557 -6.486 -2.196 578 HD2 PRO 78 HD2 PRO 78 -7.511 -6.145 0.378 579 HD3 PRO 78 HD1 PRO 78 -7.926 -7.683 -0.386 580 H PHE 79 HN PHE 79 -3.155 -5.940 -2.894 581 HA PHE 79 HA PHE 79 -3.062 -3.224 -1.961 582 HB2 PHE 79 HB2 PHE 79 -0.926 -3.409 -0.782 583 HB3 PHE 79 HB1 PHE 79 -2.199 -4.310 0.013 584 HD1 PHE 79 HD2 PHE 79 -2.260 -6.792 -0.222 585 HD2 PHE 79 HD1 PHE 79 1.038 -4.450 -1.509 586 HE1 PHE 79 HE2 PHE 79 -0.848 -8.803 -0.237 587 HE2 PHE 79 HE1 PHE 79 2.467 -6.459 -1.532 588 HZ PHE 79 HZ PHE 79 1.558 -8.614 -0.852 589 H ILE 80 HN ILE 80 -1.187 -2.089 -2.758 590 HA ILE 80 HA ILE 80 0.006 -3.359 -5.136 591 HB ILE 80 HB ILE 80 -1.005 -0.516 -4.943 592 HG12 ILE 80 HG12 ILE 80 -1.947 -2.888 -6.557 593 HG13 ILE 80 HG11 ILE 80 -2.826 -2.068 -5.272 594 HG21 ILE 80 HG21 ILE 80 1.048 -0.610 -6.234 595 HG22 ILE 80 HG22 ILE 80 -0.332 -0.304 -7.291 596 HG23 ILE 80 HG23 ILE 80 0.385 -1.914 -7.223 597 HD11 ILE 80 HD11 ILE 80 -2.969 -0.066 -6.646 598 HD12 ILE 80 HD12 ILE 80 -3.680 -1.463 -7.454 599 HD13 ILE 80 HD13 ILE 80 -2.083 -0.885 -7.933 600 H LEU 81 HN LEU 81 2.156 -2.889 -5.483 601 HA LEU 81 HA LEU 81 3.521 -1.625 -3.248 602 HB2 LEU 81 HB2 LEU 81 4.609 -3.027 -5.688 603 HB3 LEU 81 HB1 LEU 81 5.598 -2.352 -4.415 604 HG LEU 81 HG LEU 81 5.584 -4.565 -3.838 605 HD11 LEU 81 HD11 LEU 81 3.121 -3.535 -2.443 606 HD12 LEU 81 HD12 LEU 81 4.789 -3.275 -1.933 607 HD13 LEU 81 HD13 LEU 81 4.109 -4.903 -1.928 608 HD21 LEU 81 HD21 LEU 81 3.749 -6.096 -4.107 609 HD22 LEU 81 HD22 LEU 81 4.055 -5.254 -5.628 610 HD23 LEU 81 HD23 LEU 81 2.687 -4.784 -4.618 611 H HIS 82 HN HIS 82 3.675 0.495 -3.299 612 HA HIS 82 HA HIS 82 4.029 1.824 -5.889 613 HB2 HIS 82 HB2 HIS 82 2.118 2.637 -4.619 614 HB3 HIS 82 HB1 HIS 82 3.114 2.908 -3.202 615 HD1 HIS 82 HD1 HIS 82 1.818 5.332 -3.628 616 HD2 HIS 82 HD2 HIS 82 4.994 4.364 -6.128 617 HE1 HIS 82 HE1 HIS 82 2.534 7.497 -4.684 618 HE2 HIS 82 HE2 HIS 82 4.578 6.916 -6.019 619 H THR 83 HN THR 83 6.160 1.136 -5.992 620 HA THR 83 HA THR 83 8.027 2.445 -4.134 621 HB THR 83 HB THR 83 8.107 -0.004 -4.028 622 HG1 THR 83 HG1 THR 83 10.082 1.142 -3.792 623 HG21 THR 83 HG21 THR 83 8.701 -1.352 -5.933 624 HG22 THR 83 HG22 THR 83 8.843 0.086 -6.945 625 HG23 THR 83 HG23 THR 83 7.263 -0.395 -6.317 626 H GLY 84 HN GLY 84 10.019 3.215 -5.076 627 HA2 GLY 84 HA2 GLY 84 9.721 3.947 -7.914 628 HA3 GLY 84 HA1 GLY 84 10.666 4.843 -6.733 629 H ASP 85 HN ASP 85 11.190 1.735 -6.019 630 HA ASP 85 HA ASP 85 13.609 1.601 -7.683 631 HB2 ASP 85 HB2 ASP 85 13.366 1.157 -4.701 632 HB3 ASP 85 HB1 ASP 85 14.785 0.717 -5.641 633 H LEU 86 HN LEU 86 11.992 0.218 -8.848 634 HA LEU 86 HA LEU 86 11.044 -2.193 -7.702 635 HB2 LEU 86 HB2 LEU 86 11.322 -1.315 -10.572 636 HB3 LEU 86 HB1 LEU 86 10.606 -2.842 -10.106 637 HG LEU 86 HG LEU 86 8.910 -1.499 -8.777 638 HD11 LEU 86 HD11 LEU 86 10.034 0.757 -10.429 639 HD12 LEU 86 HD12 LEU 86 10.127 0.610 -8.675 640 HD13 LEU 86 HD13 LEU 86 8.562 0.818 -9.461 641 HD21 LEU 86 HD21 LEU 86 8.990 -1.147 -11.769 642 HD22 LEU 86 HD22 LEU 86 7.556 -1.029 -10.749 643 HD23 LEU 86 HD23 LEU 86 8.401 -2.568 -10.908 644 H ASP 87 HN ASP 87 13.639 -1.555 -10.057 645 HA ASP 87 HA ASP 87 14.403 -4.282 -10.233 646 HB2 ASP 87 HB2 ASP 87 15.745 -1.733 -11.107 647 HB3 ASP 87 HB1 ASP 87 16.471 -3.316 -11.360 648 H ARG 88 HN ARG 88 15.188 -1.765 -8.038 649 HA ARG 88 HA ARG 88 17.563 -2.930 -6.986 650 HB2 ARG 88 HB2 ARG 88 15.657 -0.864 -6.014 651 HB3 ARG 88 HB1 ARG 88 16.953 -1.447 -4.985 652 HG2 ARG 88 HG2 ARG 88 17.551 -0.467 -7.737 653 HG3 ARG 88 HG1 ARG 88 17.300 0.667 -6.421 654 HD2 ARG 88 HD2 ARG 88 19.655 0.227 -6.635 655 HD3 ARG 88 HD1 ARG 88 19.065 -0.475 -5.131 656 HE ARG 88 HE ARG 88 19.192 -2.259 -7.425 657 HH11 ARG 88 HH11 ARG 88 20.735 -1.083 -4.509 658 HH12 ARG 88 HH12 ARG 88 21.773 -2.463 -4.349 659 HH21 ARG 88 HH21 ARG 88 20.556 -4.090 -7.208 660 HH22 ARG 88 HH22 ARG 88 21.677 -4.164 -5.883 661 H HIS 89 HN HIS 89 14.183 -3.468 -6.557 662 HA HIS 89 HA HIS 89 14.738 -5.294 -4.310 663 HB2 HIS 89 HB2 HIS 89 12.426 -3.417 -4.734 664 HB3 HIS 89 HB1 HIS 89 12.301 -4.802 -3.661 665 HD1 HIS 89 HD1 HIS 89 13.960 -4.762 -1.540 666 HD2 HIS 89 HD2 HIS 89 13.639 -1.214 -3.683 667 HE1 HIS 89 HE1 HIS 89 14.846 -2.970 -0.019 668 HE2 HIS 89 HE2 HIS 89 14.805 -0.864 -1.402 669 H GLY 90 HN GLY 90 14.787 -6.018 -7.060 670 HA2 GLY 90 HA2 GLY 90 12.339 -6.917 -8.083 671 HA3 GLY 90 HA1 GLY 90 13.913 -7.528 -8.545 672 H GLU 91 HN GLU 91 14.707 -8.600 -6.054 673 HA GLU 91 HA GLU 91 13.399 -11.112 -6.197 674 HB2 GLU 91 HB2 GLU 91 15.376 -10.031 -4.187 675 HB3 GLU 91 HB1 GLU 91 14.781 -11.683 -4.177 676 HG2 GLU 91 HG2 GLU 91 16.855 -11.779 -5.244 677 HG3 GLU 91 HG1 GLU 91 15.669 -11.870 -6.541 678 H LEU 92 HN LEU 92 13.186 -8.378 -3.985 679 HA LEU 92 HA LEU 92 11.512 -9.663 -2.087 680 HB2 LEU 92 HB2 LEU 92 12.830 -7.602 -1.639 681 HB3 LEU 92 HB1 LEU 92 11.732 -6.714 -2.677 682 HG LEU 92 HG LEU 92 9.865 -7.334 -1.125 683 HD11 LEU 92 HD11 LEU 92 10.435 -8.117 1.113 684 HD12 LEU 92 HD12 LEU 92 12.123 -8.285 0.632 685 HD13 LEU 92 HD13 LEU 92 10.890 -9.305 -0.110 686 HD21 LEU 92 HD21 LEU 92 12.141 -5.836 0.152 687 HD22 LEU 92 HD22 LEU 92 10.427 -5.680 0.534 688 HD23 LEU 92 HD23 LEU 92 11.032 -5.166 -1.040 689 H LEU 93 HN LEU 93 10.873 -7.662 -4.937 690 HA LEU 93 HA LEU 93 8.095 -7.493 -4.750 691 HB2 LEU 93 HB2 LEU 93 9.883 -7.676 -7.175 692 HB3 LEU 93 HB1 LEU 93 8.191 -7.232 -7.227 693 HG LEU 93 HG LEU 93 10.229 -5.683 -5.648 694 HD11 LEU 93 HD11 LEU 93 10.251 -4.090 -7.491 695 HD12 LEU 93 HD12 LEU 93 9.247 -5.179 -8.450 696 HD13 LEU 93 HD13 LEU 93 10.880 -5.660 -7.986 697 HD21 LEU 93 HD21 LEU 93 7.437 -5.071 -6.596 698 HD22 LEU 93 HD22 LEU 93 8.515 -3.914 -5.819 699 HD23 LEU 93 HD23 LEU 93 7.959 -5.333 -4.932 700 H ARG 94 HN ARG 94 10.159 -9.981 -6.174 701 HA ARG 94 HA ARG 94 8.100 -11.614 -7.188 702 HB2 ARG 94 HB2 ARG 94 10.915 -12.290 -6.321 703 HB3 ARG 94 HB1 ARG 94 9.854 -13.398 -7.181 704 HG2 ARG 94 HG2 ARG 94 9.824 -11.994 -9.106 705 HG3 ARG 94 HG1 ARG 94 10.659 -10.702 -8.243 706 HD2 ARG 94 HD2 ARG 94 12.185 -11.894 -9.721 707 HD3 ARG 94 HD1 ARG 94 12.638 -12.114 -8.033 708 HE ARG 94 HE ARG 94 10.985 -14.243 -8.812 709 HH11 ARG 94 HH11 ARG 94 14.182 -12.966 -9.448 710 HH12 ARG 94 HH12 ARG 94 14.875 -14.520 -9.798 711 HH21 ARG 94 HH21 ARG 94 11.899 -16.300 -9.266 712 HH22 ARG 94 HH22 ARG 94 13.581 -16.414 -9.683 713 H LYS 95 HN LYS 95 9.465 -11.249 -4.018 714 HA LYS 95 HA LYS 95 8.298 -13.612 -2.901 715 HB2 LYS 95 HB2 LYS 95 9.470 -11.122 -1.669 716 HB3 LYS 95 HB1 LYS 95 8.829 -12.449 -0.711 717 HG2 LYS 95 HG2 LYS 95 10.475 -13.954 -1.593 718 HG3 LYS 95 HG1 LYS 95 11.057 -12.720 -2.713 719 HD2 LYS 95 HD2 LYS 95 11.882 -11.380 -0.918 720 HD3 LYS 95 HD1 LYS 95 11.103 -12.410 0.283 721 HE2 LYS 95 HE2 LYS 95 13.315 -13.256 -1.580 722 HE3 LYS 95 HE1 LYS 95 13.520 -12.826 0.116 723 HZ1 LYS 95 HZ1 LYS 95 13.409 -15.205 -0.138 724 HZ2 LYS 95 HZ2 LYS 95 11.922 -15.101 -0.930 725 HZ3 LYS 95 HZ3 LYS 95 12.042 -14.671 0.700 726 H ILE 96 HN ILE 96 7.466 -10.208 -3.025 727 HA ILE 96 HA ILE 96 5.168 -10.352 -1.393 728 HB ILE 96 HB ILE 96 5.968 -8.359 -3.513 729 HG12 ILE 96 HG12 ILE 96 6.160 -8.247 -0.494 730 HG13 ILE 96 HG11 ILE 96 7.510 -8.534 -1.589 731 HG21 ILE 96 HG21 ILE 96 3.607 -8.217 -3.231 732 HG22 ILE 96 HG22 ILE 96 4.343 -6.861 -2.375 733 HG23 ILE 96 HG23 ILE 96 3.761 -8.260 -1.475 734 HD11 ILE 96 HD11 ILE 96 7.466 -6.235 -0.815 735 HD12 ILE 96 HD12 ILE 96 5.839 -6.037 -1.466 736 HD13 ILE 96 HD13 ILE 96 7.196 -6.321 -2.556 737 H ASP 97 HN ASP 97 5.544 -10.190 -4.936 738 HA ASP 97 HA ASP 97 4.207 -10.818 -6.655 739 HB2 ASP 97 HB2 ASP 97 4.352 -13.032 -5.532 740 HB3 ASP 97 HB1 ASP 97 2.888 -12.646 -4.635 741 H ALA 98 HN ALA 98 3.372 -8.639 -6.546 742 HA ALA 98 HA ALA 98 0.511 -8.617 -6.585 743 HB1 ALA 98 HB1 ALA 98 0.873 -8.306 -4.177 744 HB2 ALA 98 HB2 ALA 98 0.182 -6.862 -4.912 745 HB3 ALA 98 HB3 ALA 98 1.896 -6.910 -4.511 746 HA PRO 99 HA PRO 99 1.095 -5.407 -9.591 747 HB2 PRO 99 HB2 PRO 99 -0.792 -3.679 -8.086 748 HB3 PRO 99 HB1 PRO 99 -0.839 -4.187 -9.773 749 HG2 PRO 99 HG2 PRO 99 -2.488 -5.260 -7.994 750 HG3 PRO 99 HG1 PRO 99 -1.738 -6.251 -9.254 751 HD2 PRO 99 HD2 PRO 99 -1.041 -6.029 -6.357 752 HD3 PRO 99 HD1 PRO 99 -1.068 -7.465 -7.402 753 H VAL 100 HN VAL 100 2.205 -3.496 -9.975 754 HA VAL 100 HA VAL 100 3.289 -2.126 -7.605 755 HB VAL 100 HB VAL 100 4.863 -2.824 -10.093 756 HG11 VAL 100 HG11 VAL 100 6.803 -2.092 -8.775 757 HG12 VAL 100 HG12 VAL 100 5.716 -1.603 -7.474 758 HG13 VAL 100 HG13 VAL 100 5.640 -0.792 -9.038 759 HG21 VAL 100 HG21 VAL 100 5.009 -4.074 -7.351 760 HG22 VAL 100 HG22 VAL 100 6.073 -4.432 -8.712 761 HG23 VAL 100 HG23 VAL 100 4.358 -4.837 -8.801 762 H MET 101 HN MET 101 3.196 0.034 -7.680 763 HA MET 101 HA MET 101 2.780 1.364 -10.287 764 HB2 MET 101 HB2 MET 101 1.869 2.168 -7.516 765 HB3 MET 101 HB1 MET 101 1.869 3.281 -8.873 766 HG2 MET 101 HG2 MET 101 0.395 0.668 -8.920 767 HG3 MET 101 HG1 MET 101 -0.321 2.160 -8.318 768 HE1 MET 101 HE1 MET 101 -0.663 4.369 -11.467 769 HE2 MET 101 HE2 MET 101 0.387 4.459 -10.055 770 HE3 MET 101 HE3 MET 101 -1.319 4.050 -9.863 771 H ALA 102 HN ALA 102 4.782 1.922 -10.911 772 HA ALA 102 HA ALA 102 6.941 2.395 -9.155 773 HB1 ALA 102 HB1 ALA 102 6.681 3.128 -12.065 774 HB2 ALA 102 HB2 ALA 102 7.232 1.575 -11.439 775 HB3 ALA 102 HB3 ALA 102 8.183 3.030 -11.146 776 H LYS 103 HN LYS 103 7.703 4.183 -8.215 777 HA LYS 103 HA LYS 103 6.268 6.686 -8.704 778 HB2 LYS 103 HB2 LYS 103 6.864 7.379 -6.553 779 HB3 LYS 103 HB1 LYS 103 6.614 5.652 -6.370 780 HG2 LYS 103 HG2 LYS 103 8.919 5.225 -6.295 781 HG3 LYS 103 HG1 LYS 103 9.314 6.883 -6.748 782 HD2 LYS 103 HD2 LYS 103 9.650 6.459 -4.343 783 HD3 LYS 103 HD1 LYS 103 8.424 7.691 -4.636 784 HE2 LYS 103 HE2 LYS 103 6.660 6.174 -4.140 785 HE3 LYS 103 HE1 LYS 103 7.761 4.796 -4.144 786 HZ1 LYS 103 HZ1 LYS 103 8.533 5.281 -2.075 787 HZ2 LYS 103 HZ2 LYS 103 6.982 5.951 -1.911 788 HZ3 LYS 103 HZ3 LYS 103 8.305 6.948 -2.244 789 HA PRO 104 HA PRO 104 6.958 9.126 -7.942 790 HB2 PRO 104 HB2 PRO 104 6.969 10.564 -10.529 791 HB3 PRO 104 HB1 PRO 104 7.132 11.197 -8.888 792 HG2 PRO 104 HG2 PRO 104 9.239 11.071 -10.511 793 HG3 PRO 104 HG1 PRO 104 9.396 10.705 -8.782 794 HD2 PRO 104 HD2 PRO 104 9.239 8.826 -11.111 795 HD3 PRO 104 HD1 PRO 104 10.277 8.750 -9.672 796 H ALA 105 HN ALA 105 4.915 8.601 -7.855 797 HA ALA 105 HA ALA 105 3.455 7.959 -10.324 798 HB1 ALA 105 HB1 ALA 105 3.237 6.484 -7.692 799 HB2 ALA 105 HB2 ALA 105 3.945 5.852 -9.182 800 HB3 ALA 105 HB3 ALA 105 2.218 6.212 -9.111 801 H ASP 106 HN ASP 106 1.517 8.950 -10.481 802 HA ASP 106 HA ASP 106 0.875 10.994 -8.613 803 HB2 ASP 106 HB2 ASP 106 0.278 11.056 -11.059 804 HB3 ASP 106 HB1 ASP 106 -0.956 9.843 -10.729 805 H THR 107 HN THR 107 -0.228 10.873 -6.830 806 HA THR 107 HA THR 107 -0.715 8.365 -5.704 807 HB THR 107 HB THR 107 -1.724 9.739 -3.824 808 HG1 THR 107 HG1 THR 107 -2.212 11.743 -4.336 809 HG21 THR 107 HG21 THR 107 0.466 10.613 -3.180 810 HG22 THR 107 HG22 THR 107 1.017 10.489 -4.853 811 HG23 THR 107 HG23 THR 107 0.635 9.027 -3.938 812 H SER 108 HN SER 108 -2.814 10.509 -7.452 813 HA SER 108 HA SER 108 -5.268 9.418 -6.512 814 HB2 SER 108 HB2 SER 108 -5.024 10.534 -9.272 815 HB3 SER 108 HB1 SER 108 -6.284 10.788 -8.065 816 HG SER 108 HG SER 108 -3.772 12.025 -8.330 817 H ASP 109 HN ASP 109 -3.094 8.698 -9.205 818 HA ASP 109 HA ASP 109 -4.750 6.693 -10.373 819 HB2 ASP 109 HB2 ASP 109 -1.831 7.365 -10.678 820 HB3 ASP 109 HB1 ASP 109 -2.563 5.990 -11.500 821 H VAL 110 HN VAL 110 -2.153 6.704 -8.031 822 HA VAL 110 HA VAL 110 -1.902 3.911 -7.748 823 HB VAL 110 HB VAL 110 -1.458 5.985 -5.592 824 HG11 VAL 110 HG11 VAL 110 -1.516 3.625 -4.852 825 HG12 VAL 110 HG12 VAL 110 0.071 4.373 -4.648 826 HG13 VAL 110 HG13 VAL 110 -0.216 3.264 -5.990 827 HG21 VAL 110 HG21 VAL 110 0.860 6.058 -6.366 828 HG22 VAL 110 HG22 VAL 110 -0.255 6.593 -7.627 829 HG23 VAL 110 HG23 VAL 110 0.452 4.977 -7.700 830 H ALA 111 HN ALA 111 -3.866 6.318 -6.044 831 HA ALA 111 HA ALA 111 -5.023 4.640 -4.131 832 HB1 ALA 111 HB1 ALA 111 -6.202 7.117 -5.380 833 HB2 ALA 111 HB2 ALA 111 -5.093 7.084 -4.010 834 HB3 ALA 111 HB3 ALA 111 -6.703 6.380 -3.858 835 H LYS 112 HN LYS 112 -6.238 5.634 -7.318 836 HA LYS 112 HA LYS 112 -8.683 4.293 -7.175 837 HB2 LYS 112 HB2 LYS 112 -7.008 5.007 -9.584 838 HB3 LYS 112 HB1 LYS 112 -8.658 4.401 -9.677 839 HG2 LYS 112 HG2 LYS 112 -9.424 6.331 -8.365 840 HG3 LYS 112 HG1 LYS 112 -7.771 6.946 -8.332 841 HD2 LYS 112 HD2 LYS 112 -8.966 8.095 -10.058 842 HD3 LYS 112 HD1 LYS 112 -7.815 7.001 -10.824 843 HE2 LYS 112 HE2 LYS 112 -9.582 5.399 -11.255 844 HE3 LYS 112 HE1 LYS 112 -10.741 6.414 -10.398 845 HZ1 LYS 112 HZ1 LYS 112 -10.948 6.704 -12.770 846 HZ2 LYS 112 HZ2 LYS 112 -9.316 7.123 -12.905 847 HZ3 LYS 112 HZ3 LYS 112 -10.381 8.137 -12.072 848 H ARG 113 HN ARG 113 -5.658 3.193 -8.757 849 HA ARG 113 HA ARG 113 -6.475 0.705 -9.578 850 HB2 ARG 113 HB2 ARG 113 -3.891 1.893 -8.802 851 HB3 ARG 113 HB1 ARG 113 -3.955 0.145 -8.953 852 HG2 ARG 113 HG2 ARG 113 -3.203 1.222 -10.991 853 HG3 ARG 113 HG1 ARG 113 -4.701 0.343 -11.239 854 HD2 ARG 113 HD2 ARG 113 -5.926 2.259 -11.536 855 HD3 ARG 113 HD1 ARG 113 -4.809 3.244 -10.590 856 HE ARG 113 HE ARG 113 -3.692 2.215 -13.039 857 HH11 ARG 113 HH11 ARG 113 -5.605 4.791 -11.664 858 HH12 ARG 113 HH12 ARG 113 -5.040 5.994 -12.785 859 HH21 ARG 113 HH21 ARG 113 -2.963 3.772 -14.537 860 HH22 ARG 113 HH22 ARG 113 -3.549 5.402 -14.433 861 H ALA 114 HN ALA 114 -5.227 1.629 -6.391 862 HA ALA 114 HA ALA 114 -5.133 -0.966 -5.298 863 HB1 ALA 114 HB1 ALA 114 -3.949 0.881 -4.269 864 HB2 ALA 114 HB2 ALA 114 -5.086 0.176 -3.112 865 HB3 ALA 114 HB3 ALA 114 -5.474 1.694 -3.923 866 H LEU 115 HN LEU 115 -7.612 1.577 -5.065 867 HA LEU 115 HA LEU 115 -9.416 0.044 -3.540 868 HB2 LEU 115 HB2 LEU 115 -9.815 2.463 -5.274 869 HB3 LEU 115 HB1 LEU 115 -11.080 1.765 -4.280 870 HG LEU 115 HG LEU 115 -8.467 2.890 -3.267 871 HD11 LEU 115 HD11 LEU 115 -9.935 4.642 -4.001 872 HD12 LEU 115 HD12 LEU 115 -9.921 4.590 -2.236 873 HD13 LEU 115 HD13 LEU 115 -11.285 3.918 -3.127 874 HD21 LEU 115 HD21 LEU 115 -9.443 2.562 -1.041 875 HD22 LEU 115 HD22 LEU 115 -9.223 1.037 -1.894 876 HD23 LEU 115 HD23 LEU 115 -10.828 1.752 -1.772 877 H GLU 116 HN GLU 116 -8.796 0.210 -6.958 878 HA GLU 116 HA GLU 116 -11.172 -0.908 -7.933 879 HB2 GLU 116 HB2 GLU 116 -8.343 -1.129 -8.960 880 HB3 GLU 116 HB1 GLU 116 -9.745 -1.722 -9.839 881 HG2 GLU 116 HG2 GLU 116 -9.226 1.130 -9.039 882 HG3 GLU 116 HG1 GLU 116 -9.060 0.449 -10.656 883 H MET 117 HN MET 117 -8.223 -2.457 -6.730 884 HA MET 117 HA MET 117 -9.116 -5.108 -7.280 885 HB2 MET 117 HB2 MET 117 -6.999 -4.148 -5.350 886 HB3 MET 117 HB1 MET 117 -7.244 -5.821 -5.835 887 HG2 MET 117 HG2 MET 117 -6.791 -5.115 -8.187 888 HG3 MET 117 HG1 MET 117 -6.348 -3.529 -7.559 889 HE1 MET 117 HE1 MET 117 -4.552 -3.274 -5.589 890 HE2 MET 117 HE2 MET 117 -3.334 -4.488 -5.202 891 HE3 MET 117 HE3 MET 117 -5.005 -4.719 -4.684 892 H CYS 118 HN CYS 118 -9.493 -2.891 -4.650 893 HA CYS 118 HA CYS 118 -10.331 -4.852 -2.734 894 HB2 CYS 118 HB2 CYS 118 -9.247 -2.677 -2.144 895 HB3 CYS 118 HB1 CYS 118 -10.711 -1.854 -2.666 896 HG CYS 118 HG CYS 118 -10.216 -3.777 0.090 897 H GLY 119 HN GLY 119 -11.998 -2.252 -4.520 898 HA2 GLY 119 HA2 GLY 119 -14.305 -3.834 -4.987 899 HA3 GLY 119 HA1 GLY 119 -14.579 -2.743 -3.638 900 H GLY 120 HN GLY 120 -13.304 -2.728 -6.949 901 HA2 GLY 120 HA2 GLY 120 -13.990 0.062 -7.278 902 HA3 GLY 120 HA1 GLY 120 -13.253 -0.982 -8.483 903 H ASP 121 HN ASP 121 -14.723 -2.672 -9.419 904 HA ASP 121 HA ASP 121 -17.533 -1.891 -9.431 905 HB2 ASP 121 HB2 ASP 121 -17.643 -1.774 -11.878 906 HB3 ASP 121 HB1 ASP 121 -16.542 -0.561 -11.241 907 H LYS 122 HN LYS 122 -15.686 -4.194 -8.720 908 HA LYS 122 HA LYS 122 -17.411 -6.259 -9.840 909 HB2 LYS 122 HB2 LYS 122 -15.469 -6.250 -11.321 910 HB3 LYS 122 HB1 LYS 122 -14.390 -6.374 -9.940 911 HG2 LYS 122 HG2 LYS 122 -14.616 -8.515 -11.046 912 HG3 LYS 122 HG1 LYS 122 -15.305 -8.584 -9.423 913 HD2 LYS 122 HD2 LYS 122 -17.549 -8.280 -10.381 914 HD3 LYS 122 HD1 LYS 122 -16.843 -8.254 -11.998 915 HE2 LYS 122 HE2 LYS 122 -16.019 -10.527 -11.686 916 HE3 LYS 122 HE1 LYS 122 -16.679 -10.552 -10.052 917 HZ1 LYS 122 HZ1 LYS 122 -18.272 -10.263 -12.541 918 HZ2 LYS 122 HZ2 LYS 122 -18.895 -10.329 -10.971 919 HZ3 LYS 122 HZ3 LYS 122 -18.124 -11.680 -11.630 920 H GLU 123 HN GLU 123 -18.210 -7.357 -8.186 921 HA GLU 123 HA GLU 123 -16.917 -7.405 -5.615 922 HB2 GLU 123 HB2 GLU 123 -19.344 -8.913 -6.609 923 HB3 GLU 123 HB1 GLU 123 -18.828 -8.797 -4.933 924 HG2 GLU 123 HG2 GLU 123 -19.681 -6.471 -6.644 925 HG3 GLU 123 HG1 GLU 123 -20.703 -7.300 -5.473 926 HA PRO 124 HA PRO 124 -14.416 -10.942 -6.619 927 HB2 PRO 124 HB2 PRO 124 -13.586 -11.531 -4.092 928 HB3 PRO 124 HB1 PRO 124 -12.913 -10.208 -5.050 929 HG2 PRO 124 HG2 PRO 124 -14.982 -10.123 -2.892 930 HG3 PRO 124 HG1 PRO 124 -13.622 -9.023 -3.184 931 HD2 PRO 124 HD2 PRO 124 -16.155 -8.417 -3.908 932 HD3 PRO 124 HD1 PRO 124 -14.743 -7.870 -4.834 933 H ALA 125 HN ALA 125 -14.752 -13.081 -6.761 934 HA ALA 125 HA ALA 125 -17.202 -14.208 -5.963 935 HB1 ALA 125 HB1 ALA 125 -14.684 -15.605 -6.863 936 HB2 ALA 125 HB2 ALA 125 -15.960 -14.993 -7.915 937 HB3 ALA 125 HB3 ALA 125 -16.296 -16.317 -6.800 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 -12.728 -5.162 2.982 2 H2 GLY 1 HT2 GLY 1 -12.621 -6.152 1.610 3 H3 GLY 1 HT3 GLY 1 -12.403 -6.816 3.148 4 HA2 GLY 1 HA1 GLY 1 -14.582 -7.381 2.316 5 HA3 GLY 1 HA2 GLY 1 -14.700 -6.327 3.717 6 H ALA 2 HN ALA 2 -16.741 -5.560 3.132 7 HA ALA 2 HA ALA 2 -16.736 -3.735 0.823 8 HB1 ALA 2 HB1 ALA 2 -19.067 -4.330 0.369 9 HB2 ALA 2 HB2 ALA 2 -19.014 -5.526 1.664 10 HB3 ALA 2 HB3 ALA 2 -18.005 -5.731 0.233 11 H MET 3 HN MET 3 -16.100 -2.905 3.370 12 HA MET 3 HA MET 3 -18.355 -1.793 4.719 13 HB2 MET 3 HB2 MET 3 -16.188 -2.297 5.830 14 HB3 MET 3 HB1 MET 3 -15.430 -1.040 4.871 15 HG2 MET 3 HG2 MET 3 -16.705 0.658 5.967 16 HG3 MET 3 HG1 MET 3 -17.663 -0.552 6.818 17 HE1 MET 3 HE1 MET 3 -13.806 -0.945 6.214 18 HE2 MET 3 HE2 MET 3 -13.134 -0.051 7.577 19 HE3 MET 3 HE3 MET 3 -13.997 0.806 6.300 20 H GLY 4 HN GLY 4 -18.568 0.598 4.994 21 HA2 GLY 4 HA2 GLY 4 -19.265 1.856 2.635 22 HA3 GLY 4 HA1 GLY 4 -18.952 2.701 4.143 23 H MET 5 HN MET 5 -16.626 3.105 4.631 24 HA MET 5 HA MET 5 -15.189 3.806 2.176 25 HB2 MET 5 HB2 MET 5 -14.895 4.777 5.013 26 HB3 MET 5 HB1 MET 5 -13.775 5.180 3.719 27 HG2 MET 5 HG2 MET 5 -15.393 6.407 2.550 28 HG3 MET 5 HG1 MET 5 -16.700 5.746 3.520 29 HE1 MET 5 HE1 MET 5 -13.553 8.084 3.528 30 HE2 MET 5 HE2 MET 5 -13.243 7.013 4.895 31 HE3 MET 5 HE3 MET 5 -13.590 8.720 5.172 32 HA PRO 6 HA PRO 6 -12.756 0.172 2.918 33 HB2 PRO 6 HB2 PRO 6 -10.918 1.482 1.009 34 HB3 PRO 6 HB1 PRO 6 -11.667 -0.112 0.931 35 HG2 PRO 6 HG2 PRO 6 -12.520 1.844 -0.639 36 HG3 PRO 6 HG1 PRO 6 -13.669 0.718 0.100 37 HD2 PRO 6 HD2 PRO 6 -12.965 3.511 0.914 38 HD3 PRO 6 HD1 PRO 6 -14.559 2.742 0.833 39 H LYS 7 HN LYS 7 -11.213 -0.273 4.344 40 HA LYS 7 HA LYS 7 -9.745 1.905 5.553 41 HB2 LYS 7 HB2 LYS 7 -10.819 -0.049 6.796 42 HB3 LYS 7 HB1 LYS 7 -9.501 -1.036 6.184 43 HG2 LYS 7 HG2 LYS 7 -9.055 -0.308 8.448 44 HG3 LYS 7 HG1 LYS 7 -7.892 0.404 7.328 45 HD2 LYS 7 HD2 LYS 7 -8.955 2.517 7.419 46 HD3 LYS 7 HD1 LYS 7 -10.381 1.847 8.213 47 HE2 LYS 7 HE2 LYS 7 -9.070 1.372 10.202 48 HE3 LYS 7 HE1 LYS 7 -7.616 1.970 9.407 49 HZ1 LYS 7 HZ1 LYS 7 -8.456 4.157 9.414 50 HZ2 LYS 7 HZ2 LYS 7 -8.752 3.553 10.965 51 HZ3 LYS 7 HZ3 LYS 7 -10.017 3.658 9.841 52 H VAL 8 HN VAL 8 -8.057 2.622 4.473 53 HA VAL 8 HA VAL 8 -6.459 0.769 2.858 54 HB VAL 8 HB VAL 8 -6.487 3.793 2.850 55 HG11 VAL 8 HG11 VAL 8 -4.378 2.828 2.062 56 HG12 VAL 8 HG12 VAL 8 -5.267 3.615 0.757 57 HG13 VAL 8 HG13 VAL 8 -5.265 1.855 0.887 58 HG21 VAL 8 HG21 VAL 8 -8.630 2.836 2.132 59 HG22 VAL 8 HG22 VAL 8 -7.784 1.871 0.920 60 HG23 VAL 8 HG23 VAL 8 -7.784 3.632 0.806 61 H LEU 9 HN LEU 9 -4.376 0.351 3.322 62 HA LEU 9 HA LEU 9 -3.159 1.843 5.540 63 HB2 LEU 9 HB2 LEU 9 -3.492 -0.505 6.048 64 HB3 LEU 9 HB1 LEU 9 -2.670 -0.976 4.575 65 HG LEU 9 HG LEU 9 -0.562 -0.125 5.438 66 HD11 LEU 9 HD11 LEU 9 -0.391 0.722 7.720 67 HD12 LEU 9 HD12 LEU 9 -2.140 0.583 7.911 68 HD13 LEU 9 HD13 LEU 9 -1.468 1.733 6.754 69 HD21 LEU 9 HD21 LEU 9 -0.279 -1.690 7.326 70 HD22 LEU 9 HD22 LEU 9 -1.097 -2.418 5.941 71 HD23 LEU 9 HD23 LEU 9 -2.026 -1.926 7.358 72 H VAL 10 HN VAL 10 -1.793 3.329 4.816 73 HA VAL 10 HA VAL 10 -0.292 2.853 2.360 74 HB VAL 10 HB VAL 10 -0.659 5.326 4.048 75 HG11 VAL 10 HG11 VAL 10 1.097 4.995 1.610 76 HG12 VAL 10 HG12 VAL 10 1.660 5.288 3.255 77 HG13 VAL 10 HG13 VAL 10 0.724 6.522 2.411 78 HG21 VAL 10 HG21 VAL 10 -1.368 4.660 1.196 79 HG22 VAL 10 HG22 VAL 10 -1.692 6.194 2.013 80 HG23 VAL 10 HG23 VAL 10 -2.492 4.717 2.555 81 H LEU 11 HN LEU 11 1.608 2.031 2.400 82 HA LEU 11 HA LEU 11 3.340 2.353 4.749 83 HB2 LEU 11 HB2 LEU 11 2.966 0.249 2.778 84 HB3 LEU 11 HB1 LEU 11 4.651 0.715 2.908 85 HG LEU 11 HG LEU 11 4.217 -1.164 4.357 86 HD11 LEU 11 HD11 LEU 11 4.458 1.379 5.980 87 HD12 LEU 11 HD12 LEU 11 5.783 0.549 5.164 88 HD13 LEU 11 HD13 LEU 11 4.935 -0.242 6.494 89 HD21 LEU 11 HD21 LEU 11 1.784 -0.760 4.565 90 HD22 LEU 11 HD22 LEU 11 2.119 0.577 5.666 91 HD23 LEU 11 HD23 LEU 11 2.560 -1.068 6.114 92 H GLU 12 HN GLU 12 4.479 4.146 4.604 93 HA GLU 12 HA GLU 12 6.233 4.630 2.407 94 HB2 GLU 12 HB2 GLU 12 4.196 5.449 1.349 95 HB3 GLU 12 HB1 GLU 12 3.841 6.455 2.744 96 HG2 GLU 12 HG2 GLU 12 4.728 7.711 0.832 97 HG3 GLU 12 HG1 GLU 12 5.725 7.863 2.274 98 H ASP 13 HN ASP 13 7.962 5.560 3.238 99 HA ASP 13 HA ASP 13 7.879 6.576 5.948 100 HB2 ASP 13 HB2 ASP 13 9.733 5.110 5.177 101 HB3 ASP 13 HB1 ASP 13 10.217 6.355 4.036 102 H GLU 14 HN GLU 14 8.001 7.760 2.708 103 HA GLU 14 HA GLU 14 8.821 10.433 3.386 104 HB2 GLU 14 HB2 GLU 14 7.625 9.261 0.885 105 HB3 GLU 14 HB1 GLU 14 8.178 10.925 1.032 106 HG2 GLU 14 HG2 GLU 14 9.939 8.532 1.488 107 HG3 GLU 14 HG1 GLU 14 9.787 9.370 -0.051 108 HA PRO 15 HA PRO 15 4.745 11.293 5.072 109 HB2 PRO 15 HB2 PRO 15 5.845 14.014 5.221 110 HB3 PRO 15 HB1 PRO 15 5.130 13.021 6.488 111 HG2 PRO 15 HG2 PRO 15 7.762 13.440 6.411 112 HG3 PRO 15 HG1 PRO 15 7.103 11.858 6.872 113 HD2 PRO 15 HD2 PRO 15 8.302 12.727 4.272 114 HD3 PRO 15 HD1 PRO 15 8.489 11.194 5.146 115 H LEU 16 HN LEU 16 6.310 13.322 2.639 116 HA LEU 16 HA LEU 16 3.998 14.727 1.865 117 HB2 LEU 16 HB2 LEU 16 6.279 15.427 1.269 118 HB3 LEU 16 HB1 LEU 16 6.426 14.031 0.221 119 HG LEU 16 HG LEU 16 4.641 14.906 -1.216 120 HD11 LEU 16 HD11 LEU 16 3.360 16.113 0.461 121 HD12 LEU 16 HD12 LEU 16 3.802 17.182 -0.872 122 HD13 LEU 16 HD13 LEU 16 4.678 17.269 0.657 123 HD21 LEU 16 HD21 LEU 16 6.838 16.897 -0.671 124 HD22 LEU 16 HD22 LEU 16 5.879 16.792 -2.147 125 HD23 LEU 16 HD23 LEU 16 6.962 15.474 -1.703 126 H ILE 17 HN ILE 17 5.526 11.825 0.522 127 HA ILE 17 HA ILE 17 3.578 11.312 -1.458 128 HB ILE 17 HB ILE 17 5.478 9.424 -0.049 129 HG12 ILE 17 HG12 ILE 17 5.703 10.881 -2.683 130 HG13 ILE 17 HG11 ILE 17 6.586 11.246 -1.218 131 HG21 ILE 17 HG21 ILE 17 3.838 9.059 -2.534 132 HG22 ILE 17 HG22 ILE 17 3.769 8.112 -1.043 133 HG23 ILE 17 HG23 ILE 17 5.192 8.029 -2.082 134 HD11 ILE 17 HD11 ILE 17 7.972 10.037 -2.790 135 HD12 ILE 17 HD12 ILE 17 6.809 8.710 -2.803 136 HD13 ILE 17 HD13 ILE 17 7.700 9.088 -1.329 137 H ALA 18 HN ALA 18 4.031 10.084 1.838 138 HA ALA 18 HA ALA 18 1.877 8.315 1.928 139 HB1 ALA 18 HB1 ALA 18 3.646 8.420 3.627 140 HB2 ALA 18 HB2 ALA 18 2.038 8.498 4.348 141 HB3 ALA 18 HB3 ALA 18 3.005 9.965 4.186 142 H MET 19 HN MET 19 2.029 11.739 2.887 143 HA MET 19 HA MET 19 -0.667 11.987 3.611 144 HB2 MET 19 HB2 MET 19 1.292 13.530 4.131 145 HB3 MET 19 HB1 MET 19 1.047 14.194 2.522 146 HG2 MET 19 HG2 MET 19 -1.327 14.638 3.190 147 HG3 MET 19 HG1 MET 19 -0.850 14.230 4.835 148 HE1 MET 19 HE1 MET 19 1.227 16.138 2.059 149 HE2 MET 19 HE2 MET 19 0.783 17.804 2.426 150 HE3 MET 19 HE3 MET 19 -0.439 16.673 1.845 151 H ASN 20 HN ASN 20 1.020 12.511 0.545 152 HA ASN 20 HA ASN 20 -1.145 13.642 -0.846 153 HB2 ASN 20 HB2 ASN 20 1.519 12.606 -1.466 154 HB3 ASN 20 HB1 ASN 20 0.368 12.381 -2.766 155 HD21 ASN 20 HD21 ASN 20 2.699 14.105 -2.637 156 HD22 ASN 20 HD22 ASN 20 2.126 15.713 -2.914 157 H LEU 21 HN LEU 21 0.007 10.277 -0.606 158 HA LEU 21 HA LEU 21 -2.016 9.100 -2.141 159 HB2 LEU 21 HB2 LEU 21 -0.303 8.135 0.121 160 HB3 LEU 21 HB1 LEU 21 -1.526 7.104 -0.580 161 HG LEU 21 HG LEU 21 0.660 8.377 -2.204 162 HD11 LEU 21 HD11 LEU 21 0.594 5.613 -1.008 163 HD12 LEU 21 HD12 LEU 21 1.646 6.932 -0.496 164 HD13 LEU 21 HD13 LEU 21 1.815 6.249 -2.112 165 HD21 LEU 21 HD21 LEU 21 -1.160 6.038 -2.726 166 HD22 LEU 21 HD22 LEU 21 0.039 6.703 -3.836 167 HD23 LEU 21 HD23 LEU 21 -1.372 7.661 -3.380 168 H GLN 22 HN GLN 22 -1.810 9.806 1.303 169 HA GLN 22 HA GLN 22 -4.205 8.758 2.176 170 HB2 GLN 22 HB2 GLN 22 -2.395 9.758 3.576 171 HB3 GLN 22 HB1 GLN 22 -2.952 11.348 3.083 172 HG2 GLN 22 HG2 GLN 22 -5.162 10.802 4.092 173 HG3 GLN 22 HG1 GLN 22 -4.439 9.324 4.720 174 HE21 GLN 22 HE21 GLN 22 -1.850 10.629 5.159 175 HE22 GLN 22 HE22 GLN 22 -2.048 11.596 6.576 176 H TYR 23 HN TYR 23 -3.590 12.046 0.936 177 HA TYR 23 HA TYR 23 -6.222 12.984 1.015 178 HB2 TYR 23 HB2 TYR 23 -3.789 13.714 -0.546 179 HB3 TYR 23 HB1 TYR 23 -5.334 14.375 -1.064 180 HD1 TYR 23 HD2 TYR 23 -6.706 15.655 0.658 181 HD2 TYR 23 HD1 TYR 23 -2.598 14.714 1.206 182 HE1 TYR 23 HE2 TYR 23 -6.527 17.446 2.331 183 HE2 TYR 23 HE1 TYR 23 -2.406 16.503 2.882 184 HH TYR 23 HH TYR 23 -5.085 18.009 4.270 185 H ALA 24 HN ALA 24 -4.564 11.045 -1.402 186 HA ALA 24 HA ALA 24 -6.504 11.382 -3.450 187 HB1 ALA 24 HB1 ALA 24 -4.456 9.189 -3.098 188 HB2 ALA 24 HB2 ALA 24 -4.199 10.719 -3.937 189 HB3 ALA 24 HB3 ALA 24 -5.349 9.547 -4.577 190 H PHE 25 HN PHE 25 -5.907 8.812 -1.072 191 HA PHE 25 HA PHE 25 -8.073 7.193 -1.909 192 HB2 PHE 25 HB2 PHE 25 -6.443 7.307 0.613 193 HB3 PHE 25 HB1 PHE 25 -7.787 6.189 0.432 194 HD1 PHE 25 HD2 PHE 25 -7.704 4.425 -1.267 195 HD2 PHE 25 HD1 PHE 25 -4.359 6.926 -0.479 196 HE1 PHE 25 HE2 PHE 25 -6.242 2.817 -2.410 197 HE2 PHE 25 HE1 PHE 25 -2.887 5.323 -1.627 198 HZ PHE 25 HZ PHE 25 -3.829 3.266 -2.595 199 H GLU 26 HN GLU 26 -7.747 9.629 0.667 200 HA GLU 26 HA GLU 26 -10.323 9.359 1.735 201 HB2 GLU 26 HB2 GLU 26 -8.508 11.765 1.587 202 HB3 GLU 26 HB1 GLU 26 -10.024 11.757 2.476 203 HG2 GLU 26 HG2 GLU 26 -9.115 9.825 3.795 204 HG3 GLU 26 HG1 GLU 26 -7.564 10.115 3.007 205 H ASP 27 HN ASP 27 -9.150 11.131 -1.064 206 HA ASP 27 HA ASP 27 -11.522 12.604 -1.551 207 HB2 ASP 27 HB2 ASP 27 -9.305 13.170 -2.530 208 HB3 ASP 27 HB1 ASP 27 -9.444 11.747 -3.551 209 H GLU 28 HN GLU 28 -10.418 9.414 -2.478 210 HA GLU 28 HA GLU 28 -12.562 8.949 -4.332 211 HB2 GLU 28 HB2 GLU 28 -10.495 7.160 -3.068 212 HB3 GLU 28 HB1 GLU 28 -11.744 6.542 -4.139 213 HG2 GLU 28 HG2 GLU 28 -9.745 8.658 -4.888 214 HG3 GLU 28 HG1 GLU 28 -9.581 6.941 -5.254 215 H GLY 29 HN GLY 29 -12.350 9.009 -0.991 216 HA2 GLY 29 HA2 GLY 29 -14.233 8.775 0.407 217 HA3 GLY 29 HA1 GLY 29 -14.950 7.704 -0.783 218 H ALA 30 HN ALA 30 -11.806 7.665 0.873 219 HA ALA 30 HA ALA 30 -12.564 5.124 2.126 220 HB1 ALA 30 HB1 ALA 30 -9.963 5.615 0.665 221 HB2 ALA 30 HB2 ALA 30 -11.286 4.594 0.099 222 HB3 ALA 30 HB3 ALA 30 -10.393 4.155 1.556 223 H GLU 31 HN GLU 31 -10.995 4.523 3.877 224 HA GLU 31 HA GLU 31 -10.152 6.973 5.281 225 HB2 GLU 31 HB2 GLU 31 -12.033 5.635 6.278 226 HB3 GLU 31 HB1 GLU 31 -10.897 4.315 6.497 227 HG2 GLU 31 HG2 GLU 31 -9.585 5.622 8.016 228 HG3 GLU 31 HG1 GLU 31 -10.584 7.043 7.711 229 H VAL 32 HN VAL 32 -8.055 7.176 5.772 230 HA VAL 32 HA VAL 32 -6.327 4.983 4.832 231 HB VAL 32 HB VAL 32 -5.612 7.902 5.034 232 HG11 VAL 32 HG11 VAL 32 -3.713 6.357 5.019 233 HG12 VAL 32 HG12 VAL 32 -3.777 7.319 3.541 234 HG13 VAL 32 HG13 VAL 32 -4.310 5.637 3.524 235 HG21 VAL 32 HG21 VAL 32 -6.523 6.395 2.587 236 HG22 VAL 32 HG22 VAL 32 -6.011 8.086 2.653 237 HG23 VAL 32 HG23 VAL 32 -7.488 7.576 3.474 238 H VAL 33 HN VAL 33 -4.779 4.146 6.075 239 HA VAL 33 HA VAL 33 -4.041 5.503 8.587 240 HB VAL 33 HB VAL 33 -3.543 2.612 7.935 241 HG11 VAL 33 HG11 VAL 33 -3.262 2.397 10.361 242 HG12 VAL 33 HG12 VAL 33 -3.541 4.130 10.533 243 HG13 VAL 33 HG13 VAL 33 -2.126 3.547 9.657 244 HG21 VAL 33 HG21 VAL 33 -5.469 1.994 9.255 245 HG22 VAL 33 HG22 VAL 33 -5.969 3.034 7.919 246 HG23 VAL 33 HG23 VAL 33 -5.842 3.694 9.551 247 H VAL 34 HN VAL 34 -1.914 6.125 8.770 248 HA VAL 34 HA VAL 34 -0.183 5.448 6.489 249 HB VAL 34 HB VAL 34 0.018 7.792 8.388 250 HG11 VAL 34 HG11 VAL 34 2.208 7.125 7.589 251 HG12 VAL 34 HG12 VAL 34 1.718 8.632 6.815 252 HG13 VAL 34 HG13 VAL 34 1.623 7.111 5.926 253 HG21 VAL 34 HG21 VAL 34 -1.899 7.975 6.893 254 HG22 VAL 34 HG22 VAL 34 -0.859 7.668 5.503 255 HG23 VAL 34 HG23 VAL 34 -0.651 9.140 6.451 256 H ALA 35 HN ALA 35 1.597 4.285 6.787 257 HA ALA 35 HA ALA 35 2.890 4.256 9.414 258 HB1 ALA 35 HB1 ALA 35 1.397 2.261 9.243 259 HB2 ALA 35 HB2 ALA 35 3.104 1.876 9.458 260 HB3 ALA 35 HB3 ALA 35 2.361 1.725 7.862 261 H ALA 36 HN ALA 36 5.119 4.007 9.329 262 HA ALA 36 HA ALA 36 6.274 4.107 6.620 263 HB1 ALA 36 HB1 ALA 36 8.133 5.321 7.575 264 HB2 ALA 36 HB2 ALA 36 7.475 5.102 9.199 265 HB3 ALA 36 HB3 ALA 36 6.619 6.108 8.027 266 H THR 37 HN THR 37 5.855 1.985 9.110 267 HA THR 37 HA THR 37 8.323 0.543 8.430 268 HB THR 37 HB THR 37 8.722 -0.101 10.707 269 HG1 THR 37 HG1 THR 37 7.005 1.379 12.098 270 HG21 THR 37 HG21 THR 37 8.086 2.846 10.760 271 HG22 THR 37 HG22 THR 37 9.533 2.155 10.018 272 HG23 THR 37 HG23 THR 37 9.268 1.991 11.753 273 H CYS 38 HN CYS 38 8.152 -1.782 9.372 274 HA CYS 38 HA CYS 38 5.759 -3.015 8.483 275 HB2 CYS 38 HB2 CYS 38 6.797 -4.991 9.841 276 HB3 CYS 38 HB1 CYS 38 7.606 -4.436 8.388 277 HG CYS 38 HG CYS 38 9.591 -4.990 10.231 278 H GLU 39 HN GLU 39 7.111 -2.271 11.651 279 HA GLU 39 HA GLU 39 5.245 -3.605 13.221 280 HB2 GLU 39 HB2 GLU 39 6.798 -1.129 13.925 281 HB3 GLU 39 HB1 GLU 39 6.086 -2.264 15.061 282 HG2 GLU 39 HG2 GLU 39 7.553 -4.029 14.180 283 HG3 GLU 39 HG1 GLU 39 8.297 -2.847 13.107 284 H GLN 40 HN GLN 40 5.316 -0.141 12.353 285 HA GLN 40 HA GLN 40 2.908 0.579 13.531 286 HB2 GLN 40 HB2 GLN 40 4.574 1.640 11.298 287 HB3 GLN 40 HB1 GLN 40 2.970 2.303 11.532 288 HG2 GLN 40 HG2 GLN 40 4.474 3.700 12.663 289 HG3 GLN 40 HG1 GLN 40 3.604 2.786 13.889 290 HE21 GLN 40 HE21 GLN 40 6.612 3.487 12.436 291 HE22 GLN 40 HE22 GLN 40 7.612 2.592 13.532 292 H ALA 41 HN ALA 41 3.552 -0.856 10.396 293 HA ALA 41 HA ALA 41 0.905 -0.564 9.388 294 HB1 ALA 41 HB1 ALA 41 2.927 -0.899 7.994 295 HB2 ALA 41 HB2 ALA 41 1.620 -2.027 7.626 296 HB3 ALA 41 HB3 ALA 41 3.005 -2.562 8.575 297 H LEU 42 HN LEU 42 2.693 -3.277 10.794 298 HA LEU 42 HA LEU 42 0.640 -5.173 10.654 299 HB2 LEU 42 HB2 LEU 42 2.906 -4.987 12.638 300 HB3 LEU 42 HB1 LEU 42 1.977 -6.421 12.264 301 HG LEU 42 HG LEU 42 3.756 -4.957 10.320 302 HD11 LEU 42 HD11 LEU 42 4.222 -7.613 11.650 303 HD12 LEU 42 HD12 LEU 42 4.979 -6.097 12.137 304 HD13 LEU 42 HD13 LEU 42 5.301 -6.767 10.537 305 HD21 LEU 42 HD21 LEU 42 1.930 -6.036 9.180 306 HD22 LEU 42 HD22 LEU 42 2.226 -7.542 10.050 307 HD23 LEU 42 HD23 LEU 42 3.416 -6.939 8.897 308 H LYS 43 HN LYS 43 1.318 -2.622 12.909 309 HA LYS 43 HA LYS 43 -0.417 -3.396 14.980 310 HB2 LYS 43 HB2 LYS 43 1.213 -1.544 15.164 311 HB3 LYS 43 HB1 LYS 43 0.257 -0.597 14.037 312 HG2 LYS 43 HG2 LYS 43 -1.580 -0.514 15.604 313 HG3 LYS 43 HG1 LYS 43 -0.717 -1.575 16.717 314 HD2 LYS 43 HD2 LYS 43 -0.457 0.645 17.525 315 HD3 LYS 43 HD1 LYS 43 1.087 0.166 16.826 316 HE2 LYS 43 HE2 LYS 43 0.605 2.419 16.154 317 HE3 LYS 43 HE1 LYS 43 0.462 1.370 14.748 318 HZ1 LYS 43 HZ1 LYS 43 -1.928 1.416 14.972 319 HZ2 LYS 43 HZ2 LYS 43 -1.342 2.999 14.894 320 HZ3 LYS 43 HZ3 LYS 43 -1.821 2.349 16.378 321 H SER 44 HN SER 44 -1.021 -1.159 12.275 322 HA SER 44 HA SER 44 -3.816 -1.034 12.790 323 HB2 SER 44 HB2 SER 44 -2.830 0.805 11.641 324 HB3 SER 44 HB1 SER 44 -2.183 -0.236 10.373 325 HG SER 44 HG SER 44 -4.569 -0.759 10.087 326 H LEU 45 HN LEU 45 -1.837 -3.296 11.154 327 HA LEU 45 HA LEU 45 -3.793 -4.421 9.439 328 HB2 LEU 45 HB2 LEU 45 -1.136 -4.785 9.798 329 HB3 LEU 45 HB1 LEU 45 -1.739 -6.184 10.661 330 HG LEU 45 HG LEU 45 -1.140 -6.737 8.362 331 HD11 LEU 45 HD11 LEU 45 -4.111 -6.836 8.839 332 HD12 LEU 45 HD12 LEU 45 -2.923 -8.014 9.395 333 HD13 LEU 45 HD13 LEU 45 -3.223 -7.811 7.669 334 HD21 LEU 45 HD21 LEU 45 -2.322 -5.817 6.475 335 HD22 LEU 45 HD22 LEU 45 -1.571 -4.515 7.396 336 HD23 LEU 45 HD23 LEU 45 -3.303 -4.812 7.539 337 H ALA 46 HN ALA 46 -2.809 -5.029 12.797 338 HA ALA 46 HA ALA 46 -4.808 -7.117 13.106 339 HB1 ALA 46 HB1 ALA 46 -3.946 -7.340 15.368 340 HB2 ALA 46 HB2 ALA 46 -2.965 -5.890 15.152 341 HB3 ALA 46 HB3 ALA 46 -2.624 -7.335 14.200 342 H ASP 47 HN ASP 47 -4.231 -3.828 14.260 343 HA ASP 47 HA ASP 47 -6.478 -3.751 15.996 344 HB2 ASP 47 HB2 ASP 47 -4.585 -2.313 16.397 345 HB3 ASP 47 HB1 ASP 47 -4.789 -1.555 14.826 346 H ASN 48 HN ASN 48 -5.944 -2.802 12.665 347 HA ASN 48 HA ASN 48 -8.768 -1.974 12.490 348 HB2 ASN 48 HB2 ASN 48 -6.368 -1.021 10.921 349 HB3 ASN 48 HB1 ASN 48 -8.040 -0.676 10.472 350 HD21 ASN 48 HD21 ASN 48 -5.720 0.989 11.344 351 HD22 ASN 48 HD22 ASN 48 -6.342 1.947 12.641 352 HA PRO 49 HA PRO 49 -9.255 -5.177 9.491 353 HB2 PRO 49 HB2 PRO 49 -11.659 -4.465 8.553 354 HB3 PRO 49 HB1 PRO 49 -11.445 -5.086 10.191 355 HG2 PRO 49 HG2 PRO 49 -11.928 -2.304 9.270 356 HG3 PRO 49 HG1 PRO 49 -12.411 -3.087 10.783 357 HD2 PRO 49 HD2 PRO 49 -10.195 -1.371 10.410 358 HD3 PRO 49 HD1 PRO 49 -10.528 -2.360 11.826 359 H ILE 50 HN ILE 50 -7.490 -4.371 8.185 360 HA ILE 50 HA ILE 50 -7.716 -2.290 6.318 361 HB ILE 50 HB ILE 50 -5.859 -4.670 6.370 362 HG12 ILE 50 HG12 ILE 50 -5.620 -3.252 8.317 363 HG13 ILE 50 HG11 ILE 50 -4.237 -3.024 7.259 364 HG21 ILE 50 HG21 ILE 50 -5.658 -2.137 4.764 365 HG22 ILE 50 HG22 ILE 50 -5.983 -3.750 4.130 366 HG23 ILE 50 HG23 ILE 50 -4.425 -3.391 4.877 367 HD11 ILE 50 HD11 ILE 50 -6.542 -1.172 7.737 368 HD12 ILE 50 HD12 ILE 50 -5.463 -0.996 6.353 369 HD13 ILE 50 HD13 ILE 50 -4.820 -0.881 7.996 370 H ASP 51 HN ASP 51 -8.785 -2.176 4.491 371 HA ASP 51 HA ASP 51 -9.855 -4.578 3.243 372 HB2 ASP 51 HB2 ASP 51 -10.277 -1.635 2.692 373 HB3 ASP 51 HB1 ASP 51 -10.994 -2.914 1.722 374 H VAL 52 HN VAL 52 -7.567 -1.996 2.655 375 HA VAL 52 HA VAL 52 -6.306 -3.494 0.546 376 HB VAL 52 HB VAL 52 -8.138 -2.411 -0.698 377 HG11 VAL 52 HG11 VAL 52 -8.208 0.007 -0.950 378 HG12 VAL 52 HG12 VAL 52 -6.911 0.174 0.231 379 HG13 VAL 52 HG13 VAL 52 -8.478 -0.472 0.724 380 HG21 VAL 52 HG21 VAL 52 -5.427 -1.247 -1.294 381 HG22 VAL 52 HG22 VAL 52 -6.787 -1.299 -2.416 382 HG23 VAL 52 HG23 VAL 52 -6.045 -2.800 -1.855 383 H ALA 53 HN ALA 53 -4.270 -2.492 -0.108 384 HA ALA 53 HA ALA 53 -3.368 -0.371 1.690 385 HB1 ALA 53 HB1 ALA 53 -1.458 -1.625 2.427 386 HB2 ALA 53 HB2 ALA 53 -1.906 -2.986 1.395 387 HB3 ALA 53 HB3 ALA 53 -2.921 -2.550 2.774 388 H VAL 54 HN VAL 54 -1.294 0.500 1.137 389 HA VAL 54 HA VAL 54 -0.356 -0.045 -1.588 390 HB VAL 54 HB VAL 54 0.164 2.655 -1.195 391 HG11 VAL 54 HG11 VAL 54 -0.323 1.755 -3.320 392 HG12 VAL 54 HG12 VAL 54 -1.608 2.919 -2.972 393 HG13 VAL 54 HG13 VAL 54 -1.914 1.188 -2.796 394 HG21 VAL 54 HG21 VAL 54 -1.973 3.687 -0.709 395 HG22 VAL 54 HG22 VAL 54 -1.465 2.684 0.650 396 HG23 VAL 54 HG23 VAL 54 -2.707 2.104 -0.458 397 H LEU 55 HN LEU 55 1.678 -0.694 -1.401 398 HA LEU 55 HA LEU 55 3.126 0.137 1.014 399 HB2 LEU 55 HB2 LEU 55 2.909 -2.474 -0.404 400 HB3 LEU 55 HB1 LEU 55 4.368 -2.117 0.492 401 HG LEU 55 HG LEU 55 3.081 -1.910 2.560 402 HD11 LEU 55 HD11 LEU 55 0.715 -2.556 2.612 403 HD12 LEU 55 HD12 LEU 55 0.699 -2.574 0.846 404 HD13 LEU 55 HD13 LEU 55 0.990 -1.062 1.712 405 HD21 LEU 55 HD21 LEU 55 3.927 -4.081 2.054 406 HD22 LEU 55 HD22 LEU 55 2.573 -4.417 0.978 407 HD23 LEU 55 HD23 LEU 55 2.302 -4.268 2.717 408 H ASP 56 HN ASP 56 4.664 1.573 0.545 409 HA ASP 56 HA ASP 56 6.237 1.383 -1.856 410 HB2 ASP 56 HB2 ASP 56 6.009 3.574 -0.800 411 HB3 ASP 56 HB1 ASP 56 6.705 2.952 0.692 412 H VAL 57 HN VAL 57 7.901 0.103 -2.164 413 HA VAL 57 HA VAL 57 8.603 -1.714 -0.017 414 HB VAL 57 HB VAL 57 9.520 -1.778 -2.899 415 HG11 VAL 57 HG11 VAL 57 10.839 -3.156 -1.385 416 HG12 VAL 57 HG12 VAL 57 9.872 -4.156 -2.471 417 HG13 VAL 57 HG13 VAL 57 9.367 -3.930 -0.796 418 HG21 VAL 57 HG21 VAL 57 7.143 -3.157 -1.662 419 HG22 VAL 57 HG22 VAL 57 7.686 -3.300 -3.333 420 HG23 VAL 57 HG23 VAL 57 7.064 -1.763 -2.735 421 H ASN 58 HN ASN 58 9.744 1.149 -1.292 422 HA ASN 58 HA ASN 58 12.504 0.574 -0.437 423 HB2 ASN 58 HB2 ASN 58 12.093 1.287 -2.859 424 HB3 ASN 58 HB1 ASN 58 11.663 2.868 -2.214 425 HD21 ASN 58 HD21 ASN 58 13.260 4.186 -1.383 426 HD22 ASN 58 HD22 ASN 58 14.944 3.859 -1.605 427 H LEU 59 HN LEU 59 11.002 0.946 1.634 428 HA LEU 59 HA LEU 59 10.364 3.559 2.440 429 HB2 LEU 59 HB2 LEU 59 11.212 1.238 4.182 430 HB3 LEU 59 HB1 LEU 59 10.357 2.669 4.722 431 HG LEU 59 HG LEU 59 9.254 0.613 2.806 432 HD11 LEU 59 HD11 LEU 59 8.605 1.110 5.707 433 HD12 LEU 59 HD12 LEU 59 9.522 -0.260 5.080 434 HD13 LEU 59 HD13 LEU 59 7.823 -0.064 4.648 435 HD21 LEU 59 HD21 LEU 59 7.973 3.004 4.122 436 HD22 LEU 59 HD22 LEU 59 7.129 1.786 3.166 437 HD23 LEU 59 HD23 LEU 59 8.335 2.821 2.405 438 H GLY 60 HN GLY 60 13.319 1.790 2.346 439 HA2 GLY 60 HA2 GLY 60 14.872 4.165 2.573 440 HA3 GLY 60 HA1 GLY 60 15.011 3.166 4.018 441 HA PRO 61 HA PRO 61 18.251 1.729 0.916 442 HB2 PRO 61 HB2 PRO 61 19.570 1.400 3.545 443 HB3 PRO 61 HB1 PRO 61 20.246 1.976 2.023 444 HG2 PRO 61 HG2 PRO 61 19.697 3.684 3.982 445 HG3 PRO 61 HG1 PRO 61 19.359 4.108 2.294 446 HD2 PRO 61 HD2 PRO 61 17.476 3.259 4.447 447 HD3 PRO 61 HD1 PRO 61 17.250 4.449 3.153 448 H LYS 62 HN LYS 62 17.369 0.524 4.133 449 HA LYS 62 HA LYS 62 17.331 -2.195 3.011 450 HB2 LYS 62 HB2 LYS 62 17.818 -1.320 5.861 451 HB3 LYS 62 HB1 LYS 62 17.644 -2.993 5.349 452 HG2 LYS 62 HG2 LYS 62 19.611 -2.744 3.908 453 HG3 LYS 62 HG1 LYS 62 19.795 -1.081 4.468 454 HD2 LYS 62 HD2 LYS 62 20.105 -1.881 6.755 455 HD3 LYS 62 HD1 LYS 62 19.898 -3.545 6.205 456 HE2 LYS 62 HE2 LYS 62 22.258 -3.013 6.473 457 HE3 LYS 62 HE1 LYS 62 21.873 -3.321 4.781 458 HZ1 LYS 62 HZ1 LYS 62 21.800 -0.931 4.409 459 HZ2 LYS 62 HZ2 LYS 62 23.304 -1.399 5.016 460 HZ3 LYS 62 HZ3 LYS 62 22.182 -0.644 6.033 461 H SER 63 HN SER 63 15.615 0.190 4.920 462 HA SER 63 HA SER 63 13.525 -1.364 5.879 463 HB2 SER 63 HB2 SER 63 13.382 1.524 5.001 464 HB3 SER 63 HB1 SER 63 12.303 0.707 6.128 465 HG SER 63 HG SER 63 14.225 2.039 6.923 466 H HIS 64 HN HIS 64 11.933 -2.380 4.943 467 HA HIS 64 HA HIS 64 10.837 -1.451 2.410 468 HB2 HIS 64 HB2 HIS 64 10.991 -3.697 1.393 469 HB3 HIS 64 HB1 HIS 64 12.583 -3.029 1.723 470 HD1 HIS 64 HD1 HIS 64 10.136 -5.464 3.337 471 HD2 HIS 64 HD2 HIS 64 14.211 -4.749 3.038 472 HE1 HIS 64 HE1 HIS 64 11.237 -7.365 4.544 473 HE2 HIS 64 HE2 HIS 64 13.714 -6.914 4.358 474 H CYS 65 HN CYS 65 8.688 -2.096 2.076 475 HA CYS 65 HA CYS 65 7.218 -3.040 4.328 476 HB2 CYS 65 HB2 CYS 65 5.314 -2.989 2.793 477 HB3 CYS 65 HB1 CYS 65 6.274 -1.519 2.648 478 HG CYS 65 HG CYS 65 6.822 -4.099 0.537 479 H GLY 66 HN GLY 66 8.265 -5.062 4.828 480 HA2 GLY 66 HA2 GLY 66 7.941 -7.174 2.796 481 HA3 GLY 66 HA1 GLY 66 9.053 -7.236 4.154 482 HA PRO 67 HA PRO 67 6.204 -9.414 6.753 483 HB2 PRO 67 HB2 PRO 67 6.150 -7.130 8.637 484 HB3 PRO 67 HB1 PRO 67 6.545 -8.821 8.929 485 HG2 PRO 67 HG2 PRO 67 8.433 -6.921 8.841 486 HG3 PRO 67 HG1 PRO 67 8.724 -8.577 8.282 487 HD2 PRO 67 HD2 PRO 67 8.332 -6.092 6.711 488 HD3 PRO 67 HD1 PRO 67 9.261 -7.550 6.327 489 H VAL 68 HN VAL 68 5.553 -6.083 5.955 490 HA VAL 68 HA VAL 68 2.811 -6.023 6.714 491 HB VAL 68 HB VAL 68 4.052 -4.378 4.511 492 HG11 VAL 68 HG11 VAL 68 2.373 -2.757 5.085 493 HG12 VAL 68 HG12 VAL 68 1.821 -3.753 6.431 494 HG13 VAL 68 HG13 VAL 68 1.603 -4.314 4.773 495 HG21 VAL 68 HG21 VAL 68 4.604 -2.708 6.238 496 HG22 VAL 68 HG22 VAL 68 5.516 -4.204 6.431 497 HG23 VAL 68 HG23 VAL 68 4.140 -3.869 7.482 498 H ALA 69 HN ALA 69 4.491 -6.506 3.643 499 HA ALA 69 HA ALA 69 2.275 -6.918 1.997 500 HB1 ALA 69 HB1 ALA 69 4.522 -6.562 1.126 501 HB2 ALA 69 HB2 ALA 69 3.864 -8.083 0.517 502 HB3 ALA 69 HB3 ALA 69 5.049 -8.096 1.823 503 H ASP 70 HN ASP 70 4.279 -9.179 3.816 504 HA ASP 70 HA ASP 70 2.918 -11.537 3.134 505 HB2 ASP 70 HB2 ASP 70 5.133 -11.527 4.203 506 HB3 ASP 70 HB1 ASP 70 4.431 -10.844 5.669 507 H ALA 71 HN ALA 71 2.495 -9.259 5.806 508 HA ALA 71 HA ALA 71 0.502 -10.544 7.256 509 HB1 ALA 71 HB1 ALA 71 -0.007 -8.399 8.181 510 HB2 ALA 71 HB2 ALA 71 0.726 -7.578 6.801 511 HB3 ALA 71 HB3 ALA 71 1.737 -8.494 7.922 512 H LEU 72 HN LEU 72 0.226 -8.255 4.578 513 HA LEU 72 HA LEU 72 -2.577 -8.284 4.384 514 HB2 LEU 72 HB2 LEU 72 -0.422 -7.668 2.374 515 HB3 LEU 72 HB1 LEU 72 -2.129 -7.421 2.068 516 HG LEU 72 HG LEU 72 -0.640 -6.105 4.336 517 HD11 LEU 72 HD11 LEU 72 -1.379 -4.995 1.648 518 HD12 LEU 72 HD12 LEU 72 0.253 -5.375 2.212 519 HD13 LEU 72 HD13 LEU 72 -0.678 -4.097 3.002 520 HD21 LEU 72 HD21 LEU 72 -3.337 -5.577 3.100 521 HD22 LEU 72 HD22 LEU 72 -2.610 -4.681 4.435 522 HD23 LEU 72 HD23 LEU 72 -3.058 -6.374 4.645 523 H LYS 73 HN LYS 73 -0.061 -10.086 2.688 524 HA LYS 73 HA LYS 73 -1.670 -11.634 1.036 525 HB2 LYS 73 HB2 LYS 73 1.044 -11.981 2.229 526 HB3 LYS 73 HB1 LYS 73 0.348 -13.247 1.243 527 HG2 LYS 73 HG2 LYS 73 0.809 -10.401 0.389 528 HG3 LYS 73 HG1 LYS 73 1.807 -11.776 -0.042 529 HD2 LYS 73 HD2 LYS 73 -1.108 -11.543 -0.751 530 HD3 LYS 73 HD1 LYS 73 0.203 -11.034 -1.813 531 HE2 LYS 73 HE2 LYS 73 -0.166 -13.816 -0.723 532 HE3 LYS 73 HE1 LYS 73 -0.645 -13.290 -2.336 533 HZ1 LYS 73 HZ1 LYS 73 1.744 -12.678 -2.689 534 HZ2 LYS 73 HZ2 LYS 73 1.452 -14.336 -2.533 535 HZ3 LYS 73 HZ3 LYS 73 2.103 -13.471 -1.237 536 H GLN 74 HN GLN 74 -0.768 -12.066 4.403 537 HA GLN 74 HA GLN 74 -1.665 -14.678 4.835 538 HB2 GLN 74 HB2 GLN 74 -1.680 -12.287 6.682 539 HB3 GLN 74 HB1 GLN 74 -2.082 -13.915 7.206 540 HG2 GLN 74 HG2 GLN 74 0.134 -14.680 6.682 541 HG3 GLN 74 HG1 GLN 74 0.549 -13.112 5.993 542 HE21 GLN 74 HE21 GLN 74 1.812 -14.557 8.169 543 HE22 GLN 74 HE22 GLN 74 1.748 -13.510 9.543 544 H ARG 75 HN ARG 75 -3.457 -11.622 5.070 545 HA ARG 75 HA ARG 75 -5.939 -13.086 5.498 546 HB2 ARG 75 HB2 ARG 75 -5.388 -10.121 5.399 547 HB3 ARG 75 HB1 ARG 75 -6.930 -10.851 5.818 548 HG2 ARG 75 HG2 ARG 75 -5.866 -11.924 7.754 549 HG3 ARG 75 HG1 ARG 75 -4.352 -11.119 7.343 550 HD2 ARG 75 HD2 ARG 75 -5.411 -8.947 7.617 551 HD3 ARG 75 HD1 ARG 75 -6.951 -9.727 7.975 552 HE ARG 75 HE ARG 75 -4.815 -10.513 9.734 553 HH11 ARG 75 HH11 ARG 75 -7.290 -8.131 9.116 554 HH12 ARG 75 HH12 ARG 75 -7.441 -7.661 10.777 555 HH21 ARG 75 HH21 ARG 75 -5.014 -9.902 11.948 556 HH22 ARG 75 HH22 ARG 75 -6.159 -8.675 12.389 557 H ALA 76 HN ALA 76 -4.198 -12.522 2.906 558 HA ALA 76 HA ALA 76 -4.535 -12.358 0.675 559 HB1 ALA 76 HB1 ALA 76 -6.074 -14.222 1.088 560 HB2 ALA 76 HB2 ALA 76 -6.623 -13.198 -0.238 561 HB3 ALA 76 HB3 ALA 76 -7.388 -13.073 1.346 562 H ILE 77 HN ILE 77 -4.791 -9.969 2.296 563 HA ILE 77 HA ILE 77 -6.924 -8.370 1.233 564 HB ILE 77 HB ILE 77 -4.402 -7.610 2.724 565 HG12 ILE 77 HG12 ILE 77 -7.246 -7.723 3.733 566 HG13 ILE 77 HG11 ILE 77 -6.110 -9.057 3.901 567 HG21 ILE 77 HG21 ILE 77 -6.825 -5.943 2.060 568 HG22 ILE 77 HG22 ILE 77 -5.193 -5.725 1.425 569 HG23 ILE 77 HG23 ILE 77 -5.516 -5.457 3.138 570 HD11 ILE 77 HD11 ILE 77 -6.227 -7.761 5.936 571 HD12 ILE 77 HD12 ILE 77 -5.788 -6.297 5.056 572 HD13 ILE 77 HD13 ILE 77 -4.629 -7.617 5.209 573 HA PRO 78 HA PRO 78 -4.740 -7.306 -2.487 574 HB2 PRO 78 HB2 PRO 78 -6.418 -5.339 -3.321 575 HB3 PRO 78 HB1 PRO 78 -6.708 -7.060 -3.556 576 HG2 PRO 78 HG2 PRO 78 -7.949 -5.179 -1.667 577 HG3 PRO 78 HG1 PRO 78 -8.591 -6.680 -2.347 578 HD2 PRO 78 HD2 PRO 78 -7.556 -6.318 0.234 579 HD3 PRO 78 HD1 PRO 78 -7.911 -7.864 -0.547 580 H PHE 79 HN PHE 79 -3.197 -5.912 -2.982 581 HA PHE 79 HA PHE 79 -3.187 -3.219 -1.983 582 HB2 PHE 79 HB2 PHE 79 -1.072 -3.404 -0.751 583 HB3 PHE 79 HB1 PHE 79 -2.365 -4.323 -0.006 584 HD1 PHE 79 HD2 PHE 79 -2.394 -6.823 -0.307 585 HD2 PHE 79 HD1 PHE 79 0.924 -4.401 -1.381 586 HE1 PHE 79 HE2 PHE 79 -0.947 -8.814 -0.280 587 HE2 PHE 79 HE1 PHE 79 2.382 -6.381 -1.353 588 HZ PHE 79 HZ PHE 79 1.448 -8.592 -0.801 589 H ILE 80 HN ILE 80 -1.363 -2.007 -2.762 590 HA ILE 80 HA ILE 80 -0.154 -3.243 -5.149 591 HB ILE 80 HB ILE 80 -1.050 -0.370 -4.879 592 HG12 ILE 80 HG12 ILE 80 -2.168 -2.674 -6.485 593 HG13 ILE 80 HG11 ILE 80 -2.961 -1.825 -5.163 594 HG21 ILE 80 HG21 ILE 80 0.953 -0.570 -6.238 595 HG22 ILE 80 HG22 ILE 80 -0.440 -0.169 -7.242 596 HG23 ILE 80 HG23 ILE 80 0.183 -1.820 -7.218 597 HD11 ILE 80 HD11 ILE 80 -2.251 -0.659 -7.840 598 HD12 ILE 80 HD12 ILE 80 -3.030 0.203 -6.514 599 HD13 ILE 80 HD13 ILE 80 -3.859 -1.142 -7.299 600 H LEU 81 HN LEU 81 2.012 -2.879 -5.444 601 HA LEU 81 HA LEU 81 3.408 -1.614 -3.222 602 HB2 LEU 81 HB2 LEU 81 4.480 -3.094 -5.628 603 HB3 LEU 81 HB1 LEU 81 5.469 -2.439 -4.341 604 HG LEU 81 HG LEU 81 5.343 -4.686 -3.815 605 HD11 LEU 81 HD11 LEU 81 3.039 -3.471 -2.302 606 HD12 LEU 81 HD12 LEU 81 4.745 -3.297 -1.896 607 HD13 LEU 81 HD13 LEU 81 3.978 -4.883 -1.819 608 HD21 LEU 81 HD21 LEU 81 2.397 -4.677 -4.428 609 HD22 LEU 81 HD22 LEU 81 3.380 -6.068 -3.966 610 HD23 LEU 81 HD23 LEU 81 3.661 -5.260 -5.510 611 H HIS 82 HN HIS 82 3.560 0.501 -3.331 612 HA HIS 82 HA HIS 82 4.102 1.751 -5.931 613 HB2 HIS 82 HB2 HIS 82 2.123 2.620 -4.797 614 HB3 HIS 82 HB1 HIS 82 3.046 2.944 -3.340 615 HD1 HIS 82 HD1 HIS 82 2.077 5.426 -3.683 616 HD2 HIS 82 HD2 HIS 82 4.841 4.157 -6.512 617 HE1 HIS 82 HE1 HIS 82 2.814 7.503 -4.896 618 HE2 HIS 82 HE2 HIS 82 4.576 6.730 -6.503 619 H THR 83 HN THR 83 6.240 0.914 -5.773 620 HA THR 83 HA THR 83 7.932 1.934 -3.613 621 HB THR 83 HB THR 83 7.963 -0.454 -3.844 622 HG1 THR 83 HG1 THR 83 10.327 -0.518 -4.863 623 HG21 THR 83 HG21 THR 83 7.173 -0.572 -6.166 624 HG22 THR 83 HG22 THR 83 8.590 -1.591 -5.898 625 HG23 THR 83 HG23 THR 83 8.762 -0.041 -6.722 626 H GLY 84 HN GLY 84 9.984 2.811 -4.041 627 HA2 GLY 84 HA2 GLY 84 10.190 4.228 -6.585 628 HA3 GLY 84 HA1 GLY 84 11.164 4.517 -5.150 629 H ASP 85 HN ASP 85 11.250 1.328 -5.337 630 HA ASP 85 HA ASP 85 13.275 1.140 -7.443 631 HB2 ASP 85 HB2 ASP 85 14.705 1.422 -5.590 632 HB3 ASP 85 HB1 ASP 85 13.685 0.439 -4.544 633 H LEU 86 HN LEU 86 12.998 -0.585 -8.664 634 HA LEU 86 HA LEU 86 11.541 -2.883 -7.542 635 HB2 LEU 86 HB2 LEU 86 11.652 -1.914 -10.402 636 HB3 LEU 86 HB1 LEU 86 10.957 -3.445 -9.914 637 HG LEU 86 HG LEU 86 9.368 -2.058 -8.447 638 HD11 LEU 86 HD11 LEU 86 8.946 0.220 -9.225 639 HD12 LEU 86 HD12 LEU 86 10.343 0.113 -10.296 640 HD13 LEU 86 HD13 LEU 86 10.566 0.055 -8.548 641 HD21 LEU 86 HD21 LEU 86 7.868 -1.647 -10.353 642 HD22 LEU 86 HD22 LEU 86 8.641 -3.230 -10.431 643 HD23 LEU 86 HD23 LEU 86 9.221 -1.915 -11.453 644 H ASP 87 HN ASP 87 14.505 -1.798 -8.374 645 HA ASP 87 HA ASP 87 15.473 -4.158 -9.744 646 HB2 ASP 87 HB2 ASP 87 16.422 -2.056 -10.430 647 HB3 ASP 87 HB1 ASP 87 16.861 -1.655 -8.773 648 H ARG 88 HN ARG 88 16.330 -2.483 -6.713 649 HA ARG 88 HA ARG 88 17.934 -4.622 -5.760 650 HB2 ARG 88 HB2 ARG 88 16.731 -2.277 -4.316 651 HB3 ARG 88 HB1 ARG 88 18.003 -3.318 -3.712 652 HG2 ARG 88 HG2 ARG 88 19.343 -2.635 -5.743 653 HG3 ARG 88 HG1 ARG 88 18.123 -1.381 -5.980 654 HD2 ARG 88 HD2 ARG 88 18.550 -0.660 -3.629 655 HD3 ARG 88 HD1 ARG 88 19.905 -1.787 -3.609 656 HE ARG 88 HE ARG 88 20.391 -0.270 -5.797 657 HH11 ARG 88 HH11 ARG 88 19.797 0.451 -2.430 658 HH12 ARG 88 HH12 ARG 88 20.650 1.958 -2.463 659 HH21 ARG 88 HH21 ARG 88 21.537 1.703 -5.850 660 HH22 ARG 88 HH22 ARG 88 21.654 2.664 -4.411 661 H HIS 89 HN HIS 89 14.669 -3.471 -5.121 662 HA HIS 89 HA HIS 89 14.178 -5.592 -3.197 663 HB2 HIS 89 HB2 HIS 89 12.285 -3.517 -4.308 664 HB3 HIS 89 HB1 HIS 89 11.970 -4.574 -2.940 665 HD1 HIS 89 HD1 HIS 89 14.140 -4.212 -1.031 666 HD2 HIS 89 HD2 HIS 89 12.913 -1.084 -3.451 667 HE1 HIS 89 HE1 HIS 89 14.961 -2.123 0.103 668 HE2 HIS 89 HE2 HIS 89 14.408 -0.267 -1.508 669 H GLY 90 HN GLY 90 14.602 -5.931 -6.238 670 HA2 GLY 90 HA2 GLY 90 12.221 -6.651 -7.493 671 HA3 GLY 90 HA1 GLY 90 13.804 -7.253 -7.930 672 H GLU 91 HN GLU 91 14.531 -8.788 -5.816 673 HA GLU 91 HA GLU 91 13.032 -11.143 -6.194 674 HB2 GLU 91 HB2 GLU 91 15.401 -11.166 -5.537 675 HB3 GLU 91 HB1 GLU 91 14.978 -10.467 -3.981 676 HG2 GLU 91 HG2 GLU 91 13.627 -12.460 -3.482 677 HG3 GLU 91 HG1 GLU 91 14.146 -13.167 -5.008 678 H LEU 92 HN LEU 92 13.068 -8.738 -3.623 679 HA LEU 92 HA LEU 92 11.328 -9.988 -1.824 680 HB2 LEU 92 HB2 LEU 92 12.674 -7.982 -1.323 681 HB3 LEU 92 HB1 LEU 92 11.647 -7.041 -2.386 682 HG LEU 92 HG LEU 92 9.714 -7.646 -0.868 683 HD11 LEU 92 HD11 LEU 92 10.245 -8.341 1.393 684 HD12 LEU 92 HD12 LEU 92 11.953 -8.469 0.974 685 HD13 LEU 92 HD13 LEU 92 10.778 -9.562 0.237 686 HD21 LEU 92 HD21 LEU 92 10.255 -5.917 0.720 687 HD22 LEU 92 HD22 LEU 92 10.852 -5.467 -0.878 688 HD23 LEU 92 HD23 LEU 92 11.969 -6.070 0.345 689 H LEU 93 HN LEU 93 10.690 -7.843 -4.565 690 HA LEU 93 HA LEU 93 7.923 -7.619 -4.299 691 HB2 LEU 93 HB2 LEU 93 9.655 -7.600 -6.768 692 HB3 LEU 93 HB1 LEU 93 7.978 -7.102 -6.734 693 HG LEU 93 HG LEU 93 10.109 -5.785 -5.065 694 HD11 LEU 93 HD11 LEU 93 10.691 -5.515 -7.398 695 HD12 LEU 93 HD12 LEU 93 10.087 -3.996 -6.735 696 HD13 LEU 93 HD13 LEU 93 9.050 -4.982 -7.767 697 HD21 LEU 93 HD21 LEU 93 7.896 -5.432 -4.218 698 HD22 LEU 93 HD22 LEU 93 7.297 -5.023 -5.825 699 HD23 LEU 93 HD23 LEU 93 8.439 -3.953 -5.011 700 H ARG 94 HN ARG 94 9.900 -10.127 -5.781 701 HA ARG 94 HA ARG 94 7.744 -11.483 -7.032 702 HB2 ARG 94 HB2 ARG 94 10.434 -12.566 -6.229 703 HB3 ARG 94 HB1 ARG 94 9.322 -13.280 -7.392 704 HG2 ARG 94 HG2 ARG 94 10.865 -10.725 -7.636 705 HG3 ARG 94 HG1 ARG 94 10.969 -12.164 -8.635 706 HD2 ARG 94 HD2 ARG 94 8.672 -10.230 -8.479 707 HD3 ARG 94 HD1 ARG 94 9.778 -10.447 -9.833 708 HE ARG 94 HE ARG 94 8.788 -12.829 -9.834 709 HH11 ARG 94 HH11 ARG 94 7.031 -9.892 -9.054 710 HH12 ARG 94 HH12 ARG 94 5.500 -10.518 -9.579 711 HH21 ARG 94 HH21 ARG 94 6.770 -13.643 -10.544 712 HH22 ARG 94 HH22 ARG 94 5.353 -12.648 -10.428 713 H LYS 95 HN LYS 95 9.147 -11.541 -3.859 714 HA LYS 95 HA LYS 95 7.845 -13.922 -2.964 715 HB2 LYS 95 HB2 LYS 95 9.022 -11.598 -1.428 716 HB3 LYS 95 HB1 LYS 95 8.466 -13.099 -0.699 717 HG2 LYS 95 HG2 LYS 95 10.163 -14.349 -1.855 718 HG3 LYS 95 HG1 LYS 95 10.665 -12.912 -2.747 719 HD2 LYS 95 HD2 LYS 95 11.348 -11.846 -0.663 720 HD3 LYS 95 HD1 LYS 95 10.809 -13.259 0.246 721 HE2 LYS 95 HE2 LYS 95 12.476 -14.636 -0.802 722 HE3 LYS 95 HE1 LYS 95 12.944 -13.322 -1.878 723 HZ1 LYS 95 HZ1 LYS 95 13.720 -12.072 0.023 724 HZ2 LYS 95 HZ2 LYS 95 14.481 -13.581 -0.025 725 HZ3 LYS 95 HZ3 LYS 95 13.230 -13.300 1.076 726 H ILE 96 HN ILE 96 7.105 -10.527 -3.062 727 HA ILE 96 HA ILE 96 4.785 -10.595 -1.431 728 HB ILE 96 HB ILE 96 5.646 -8.623 -3.553 729 HG12 ILE 96 HG12 ILE 96 5.896 -8.490 -0.539 730 HG13 ILE 96 HG11 ILE 96 7.216 -8.859 -1.645 731 HG21 ILE 96 HG21 ILE 96 3.291 -8.425 -3.206 732 HG22 ILE 96 HG22 ILE 96 4.092 -7.077 -2.399 733 HG23 ILE 96 HG23 ILE 96 3.501 -8.443 -1.457 734 HD11 ILE 96 HD11 ILE 96 7.236 -6.529 -0.867 735 HD12 ILE 96 HD12 ILE 96 5.657 -6.285 -1.620 736 HD13 ILE 96 HD13 ILE 96 7.062 -6.659 -2.618 737 H ASP 97 HN ASP 97 5.215 -10.323 -4.957 738 HA ASP 97 HA ASP 97 3.889 -10.813 -6.725 739 HB2 ASP 97 HB2 ASP 97 4.065 -13.105 -5.802 740 HB3 ASP 97 HB1 ASP 97 2.607 -12.819 -4.859 741 H ALA 98 HN ALA 98 3.025 -8.695 -6.505 742 HA ALA 98 HA ALA 98 0.154 -8.662 -6.439 743 HB1 ALA 98 HB1 ALA 98 1.667 -7.025 -4.396 744 HB2 ALA 98 HB2 ALA 98 0.632 -8.408 -4.044 745 HB3 ALA 98 HB3 ALA 98 -0.065 -6.934 -4.715 746 HA PRO 99 HA PRO 99 0.658 -5.498 -9.444 747 HB2 PRO 99 HB2 PRO 99 -1.144 -3.698 -7.922 748 HB3 PRO 99 HB1 PRO 99 -1.281 -4.279 -9.581 749 HG2 PRO 99 HG2 PRO 99 -2.855 -5.261 -7.687 750 HG3 PRO 99 HG1 PRO 99 -2.154 -6.322 -8.920 751 HD2 PRO 99 HD2 PRO 99 -1.305 -5.919 -6.081 752 HD3 PRO 99 HD1 PRO 99 -1.440 -7.425 -7.012 753 H VAL 100 HN VAL 100 1.994 -3.813 -9.891 754 HA VAL 100 HA VAL 100 3.119 -2.372 -7.584 755 HB VAL 100 HB VAL 100 4.588 -3.167 -10.105 756 HG11 VAL 100 HG11 VAL 100 5.474 -1.140 -9.110 757 HG12 VAL 100 HG12 VAL 100 6.596 -2.480 -8.862 758 HG13 VAL 100 HG13 VAL 100 5.571 -1.931 -7.536 759 HG21 VAL 100 HG21 VAL 100 5.765 -4.800 -8.732 760 HG22 VAL 100 HG22 VAL 100 4.031 -5.125 -8.740 761 HG23 VAL 100 HG23 VAL 100 4.780 -4.356 -7.339 762 H MET 101 HN MET 101 3.149 -0.229 -7.671 763 HA MET 101 HA MET 101 2.773 1.121 -10.268 764 HB2 MET 101 HB2 MET 101 1.795 1.924 -7.520 765 HB3 MET 101 HB1 MET 101 1.853 3.043 -8.873 766 HG2 MET 101 HG2 MET 101 0.349 0.450 -8.993 767 HG3 MET 101 HG1 MET 101 -0.370 1.935 -8.378 768 HE1 MET 101 HE1 MET 101 0.506 4.250 -10.077 769 HE2 MET 101 HE2 MET 101 -1.219 3.917 -9.890 770 HE3 MET 101 HE3 MET 101 -0.548 4.225 -11.491 771 H ALA 102 HN ALA 102 4.925 1.342 -10.707 772 HA ALA 102 HA ALA 102 6.924 1.944 -8.818 773 HB1 ALA 102 HB1 ALA 102 6.970 2.332 -11.807 774 HB2 ALA 102 HB2 ALA 102 7.370 0.841 -10.956 775 HB3 ALA 102 HB3 ALA 102 8.374 2.274 -10.743 776 H LYS 103 HN LYS 103 8.183 3.831 -8.568 777 HA LYS 103 HA LYS 103 6.664 6.300 -8.865 778 HB2 LYS 103 HB2 LYS 103 9.262 5.696 -7.434 779 HB3 LYS 103 HB1 LYS 103 8.494 7.275 -7.466 780 HG2 LYS 103 HG2 LYS 103 6.577 6.414 -6.282 781 HG3 LYS 103 HG1 LYS 103 7.239 4.781 -6.339 782 HD2 LYS 103 HD2 LYS 103 9.067 5.411 -4.911 783 HD3 LYS 103 HD1 LYS 103 8.587 7.108 -4.972 784 HE2 LYS 103 HE2 LYS 103 6.549 6.626 -3.782 785 HE3 LYS 103 HE1 LYS 103 6.876 4.896 -3.848 786 HZ1 LYS 103 HZ1 LYS 103 8.759 6.739 -2.512 787 HZ2 LYS 103 HZ2 LYS 103 8.573 5.066 -2.298 788 HZ3 LYS 103 HZ3 LYS 103 7.402 6.136 -1.693 789 HA PRO 104 HA PRO 104 7.154 8.516 -8.858 790 HB2 PRO 104 HB2 PRO 104 6.500 10.076 -11.197 791 HB3 PRO 104 HB1 PRO 104 7.422 10.560 -9.775 792 HG2 PRO 104 HG2 PRO 104 8.519 10.267 -12.258 793 HG3 PRO 104 HG1 PRO 104 9.428 10.066 -10.750 794 HD2 PRO 104 HD2 PRO 104 8.267 7.983 -12.555 795 HD3 PRO 104 HD1 PRO 104 9.822 7.994 -11.699 796 H ALA 105 HN ALA 105 5.021 8.400 -8.492 797 HA ALA 105 HA ALA 105 3.239 7.531 -10.649 798 HB1 ALA 105 HB1 ALA 105 3.288 6.285 -7.901 799 HB2 ALA 105 HB2 ALA 105 3.881 5.525 -9.383 800 HB3 ALA 105 HB3 ALA 105 2.163 5.904 -9.212 801 H ASP 106 HN ASP 106 1.417 8.656 -10.682 802 HA ASP 106 HA ASP 106 1.001 10.739 -8.766 803 HB2 ASP 106 HB2 ASP 106 0.376 10.871 -11.223 804 HB3 ASP 106 HB1 ASP 106 -0.968 9.792 -10.857 805 H THR 107 HN THR 107 -0.284 10.762 -7.064 806 HA THR 107 HA THR 107 -0.842 8.299 -5.859 807 HB THR 107 HB THR 107 -1.904 9.763 -4.080 808 HG1 THR 107 HG1 THR 107 -2.074 11.868 -4.469 809 HG21 THR 107 HG21 THR 107 0.478 9.035 -4.117 810 HG22 THR 107 HG22 THR 107 0.249 10.607 -3.353 811 HG23 THR 107 HG23 THR 107 0.878 10.512 -5.000 812 H SER 108 HN SER 108 -2.829 10.368 -7.820 813 HA SER 108 HA SER 108 -5.338 9.374 -6.922 814 HB2 SER 108 HB2 SER 108 -6.222 10.296 -9.046 815 HB3 SER 108 HB1 SER 108 -5.208 11.456 -8.191 816 HG SER 108 HG SER 108 -3.561 11.086 -9.632 817 H ASP 109 HN ASP 109 -3.095 8.434 -9.488 818 HA ASP 109 HA ASP 109 -4.729 6.366 -10.571 819 HB2 ASP 109 HB2 ASP 109 -1.721 6.679 -10.705 820 HB3 ASP 109 HB1 ASP 109 -2.693 5.624 -11.722 821 H VAL 110 HN VAL 110 -2.152 6.492 -8.193 822 HA VAL 110 HA VAL 110 -1.928 3.736 -7.722 823 HB VAL 110 HB VAL 110 -1.515 5.920 -5.675 824 HG11 VAL 110 HG11 VAL 110 0.004 4.376 -4.630 825 HG12 VAL 110 HG12 VAL 110 -0.211 3.215 -5.940 826 HG13 VAL 110 HG13 VAL 110 -1.555 3.575 -4.854 827 HG21 VAL 110 HG21 VAL 110 -0.301 6.438 -7.736 828 HG22 VAL 110 HG22 VAL 110 0.435 4.834 -7.707 829 HG23 VAL 110 HG23 VAL 110 0.804 5.995 -6.433 830 H ALA 111 HN ALA 111 -3.963 6.220 -6.219 831 HA ALA 111 HA ALA 111 -5.109 4.575 -4.237 832 HB1 ALA 111 HB1 ALA 111 -6.764 6.346 -3.981 833 HB2 ALA 111 HB2 ALA 111 -6.233 7.073 -5.498 834 HB3 ALA 111 HB3 ALA 111 -5.138 7.016 -4.117 835 H LYS 112 HN LYS 112 -6.312 5.583 -7.425 836 HA LYS 112 HA LYS 112 -8.808 4.305 -7.171 837 HB2 LYS 112 HB2 LYS 112 -7.294 5.139 -9.650 838 HB3 LYS 112 HB1 LYS 112 -8.980 4.628 -9.629 839 HG2 LYS 112 HG2 LYS 112 -9.483 6.504 -8.090 840 HG3 LYS 112 HG1 LYS 112 -7.811 7.040 -8.257 841 HD2 LYS 112 HD2 LYS 112 -9.073 8.345 -9.770 842 HD3 LYS 112 HD1 LYS 112 -8.232 7.144 -10.751 843 HE2 LYS 112 HE2 LYS 112 -10.494 7.316 -11.526 844 HE3 LYS 112 HE1 LYS 112 -10.293 5.761 -10.723 845 HZ1 LYS 112 HZ1 LYS 112 -11.630 8.179 -9.651 846 HZ2 LYS 112 HZ2 LYS 112 -11.267 6.829 -8.699 847 HZ3 LYS 112 HZ3 LYS 112 -12.336 6.683 -10.004 848 H ARG 113 HN ARG 113 -5.763 3.213 -8.664 849 HA ARG 113 HA ARG 113 -6.686 0.753 -9.605 850 HB2 ARG 113 HB2 ARG 113 -4.060 1.927 -8.918 851 HB3 ARG 113 HB1 ARG 113 -4.144 0.180 -9.086 852 HG2 ARG 113 HG2 ARG 113 -3.477 1.304 -11.137 853 HG3 ARG 113 HG1 ARG 113 -4.959 0.389 -11.326 854 HD2 ARG 113 HD2 ARG 113 -6.266 2.314 -11.446 855 HD3 ARG 113 HD1 ARG 113 -5.009 3.317 -10.728 856 HE ARG 113 HE ARG 113 -4.026 2.273 -13.129 857 HH11 ARG 113 HH11 ARG 113 -6.546 4.466 -12.086 858 HH12 ARG 113 HH12 ARG 113 -6.431 5.470 -13.493 859 HH21 ARG 113 HH21 ARG 113 -3.897 3.565 -14.997 860 HH22 ARG 113 HH22 ARG 113 -4.930 4.952 -15.157 861 H ALA 114 HN ALA 114 -5.684 1.786 -6.415 862 HA ALA 114 HA ALA 114 -5.435 -0.876 -5.361 863 HB1 ALA 114 HB1 ALA 114 -5.531 1.804 -3.978 864 HB2 ALA 114 HB2 ALA 114 -4.080 0.903 -4.421 865 HB3 ALA 114 HB3 ALA 114 -5.174 0.272 -3.184 866 H LEU 115 HN LEU 115 -7.771 1.777 -4.975 867 HA LEU 115 HA LEU 115 -9.418 0.453 -3.136 868 HB2 LEU 115 HB2 LEU 115 -9.918 2.753 -4.986 869 HB3 LEU 115 HB1 LEU 115 -11.109 2.185 -3.829 870 HG LEU 115 HG LEU 115 -8.363 3.240 -3.164 871 HD11 LEU 115 HD11 LEU 115 -9.609 5.074 -2.135 872 HD12 LEU 115 HD12 LEU 115 -11.108 4.387 -2.759 873 HD13 LEU 115 HD13 LEU 115 -9.875 4.975 -3.876 874 HD21 LEU 115 HD21 LEU 115 -8.937 1.562 -1.574 875 HD22 LEU 115 HD22 LEU 115 -10.580 2.179 -1.424 876 HD23 LEU 115 HD23 LEU 115 -9.223 3.129 -0.820 877 H GLU 116 HN GLU 116 -9.324 0.239 -6.614 878 HA GLU 116 HA GLU 116 -11.983 -0.740 -6.896 879 HB2 GLU 116 HB2 GLU 116 -11.330 -1.371 -9.150 880 HB3 GLU 116 HB1 GLU 116 -10.791 0.253 -8.771 881 HG2 GLU 116 HG2 GLU 116 -8.828 -0.368 -9.582 882 HG3 GLU 116 HG1 GLU 116 -8.628 -1.285 -8.090 883 H MET 117 HN MET 117 -8.967 -2.175 -6.025 884 HA MET 117 HA MET 117 -9.670 -4.863 -6.597 885 HB2 MET 117 HB2 MET 117 -7.568 -3.708 -4.767 886 HB3 MET 117 HB1 MET 117 -7.736 -5.419 -5.111 887 HG2 MET 117 HG2 MET 117 -7.511 -4.756 -7.570 888 HG3 MET 117 HG1 MET 117 -6.931 -3.211 -6.959 889 HE1 MET 117 HE1 MET 117 -3.635 -4.164 -5.127 890 HE2 MET 117 HE2 MET 117 -5.196 -4.219 -4.305 891 HE3 MET 117 HE3 MET 117 -4.849 -2.922 -5.449 892 H CYS 118 HN CYS 118 -10.305 -2.725 -3.931 893 HA CYS 118 HA CYS 118 -12.071 -4.732 -2.824 894 HB2 CYS 118 HB2 CYS 118 -9.941 -5.149 -1.646 895 HB3 CYS 118 HB1 CYS 118 -9.935 -3.480 -1.091 896 HG CYS 118 HG CYS 118 -12.234 -3.744 0.464 897 H GLY 119 HN GLY 119 -13.279 -2.895 -3.942 898 HA2 GLY 119 HA2 GLY 119 -13.858 -0.818 -1.922 899 HA3 GLY 119 HA1 GLY 119 -14.175 -0.644 -3.643 900 H GLY 120 HN GLY 120 -14.900 -3.709 -3.110 901 HA2 GLY 120 HA2 GLY 120 -16.898 -4.585 -1.926 902 HA3 GLY 120 HA1 GLY 120 -17.710 -3.110 -2.435 903 H ASP 121 HN ASP 121 -16.466 -3.108 -5.069 904 HA ASP 121 HA ASP 121 -18.424 -4.785 -6.353 905 HB2 ASP 121 HB2 ASP 121 -17.857 -2.477 -7.151 906 HB3 ASP 121 HB1 ASP 121 -16.283 -3.089 -7.648 907 H LYS 122 HN LYS 122 -17.965 -6.897 -6.341 908 HA LYS 122 HA LYS 122 -15.289 -7.741 -7.214 909 HB2 LYS 122 HB2 LYS 122 -17.388 -9.045 -5.516 910 HB3 LYS 122 HB1 LYS 122 -16.205 -10.036 -6.359 911 HG2 LYS 122 HG2 LYS 122 -15.455 -7.779 -4.515 912 HG3 LYS 122 HG1 LYS 122 -15.630 -9.456 -3.990 913 HD2 LYS 122 HD2 LYS 122 -13.877 -10.165 -5.465 914 HD3 LYS 122 HD1 LYS 122 -13.788 -8.570 -6.206 915 HE2 LYS 122 HE2 LYS 122 -13.169 -9.160 -3.316 916 HE3 LYS 122 HE1 LYS 122 -11.961 -9.019 -4.591 917 HZ1 LYS 122 HZ1 LYS 122 -12.792 -6.728 -4.973 918 HZ2 LYS 122 HZ2 LYS 122 -12.094 -6.955 -3.451 919 HZ3 LYS 122 HZ3 LYS 122 -13.775 -6.889 -3.604 920 H GLU 123 HN GLU 123 -15.090 -9.381 -8.788 921 HA GLU 123 HA GLU 123 -17.059 -9.041 -10.879 922 HB2 GLU 123 HB2 GLU 123 -14.534 -10.684 -11.025 923 HB3 GLU 123 HB1 GLU 123 -15.445 -9.993 -12.357 924 HG2 GLU 123 HG2 GLU 123 -13.650 -8.573 -12.228 925 HG3 GLU 123 HG1 GLU 123 -14.840 -7.722 -11.247 926 HA PRO 124 HA PRO 124 -18.764 -13.102 -9.939 927 HB2 PRO 124 HB2 PRO 124 -21.102 -12.765 -11.188 928 HB3 PRO 124 HB1 PRO 124 -20.768 -11.977 -9.641 929 HG2 PRO 124 HG2 PRO 124 -20.720 -10.837 -12.399 930 HG3 PRO 124 HG1 PRO 124 -21.289 -10.103 -10.891 931 HD2 PRO 124 HD2 PRO 124 -18.813 -9.642 -12.062 932 HD3 PRO 124 HD1 PRO 124 -19.215 -9.341 -10.362 933 H ALA 125 HN ALA 125 -19.682 -14.855 -11.384 934 HA ALA 125 HA ALA 125 -18.124 -14.985 -13.822 935 HB1 ALA 125 HB1 ALA 125 -18.218 -16.920 -12.322 936 HB2 ALA 125 HB2 ALA 125 -18.846 -17.311 -13.922 937 HB3 ALA 125 HB3 ALA 125 -19.958 -17.035 -12.581 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 -12.286 5.189 11.999 2 H2 GLY 1 HT2 GLY 1 -12.798 4.947 13.593 3 H3 GLY 1 HT3 GLY 1 -13.647 6.003 12.586 4 HA2 GLY 1 HA1 GLY 1 -13.414 3.077 12.200 5 HA3 GLY 1 HA2 GLY 1 -14.821 3.905 12.850 6 H ALA 2 HN ALA 2 -13.973 2.349 10.241 7 HA ALA 2 HA ALA 2 -15.672 3.960 8.518 8 HB1 ALA 2 HB1 ALA 2 -13.440 4.815 8.031 9 HB2 ALA 2 HB2 ALA 2 -14.095 3.931 6.652 10 HB3 ALA 2 HB3 ALA 2 -12.881 3.178 7.687 11 H MET 3 HN MET 3 -17.198 2.427 8.288 12 HA MET 3 HA MET 3 -16.368 -0.256 7.443 13 HB2 MET 3 HB2 MET 3 -17.870 -0.157 9.381 14 HB3 MET 3 HB1 MET 3 -19.051 0.732 8.430 15 HG2 MET 3 HG2 MET 3 -19.266 -1.213 6.933 16 HG3 MET 3 HG1 MET 3 -18.146 -2.099 7.964 17 HE1 MET 3 HE1 MET 3 -21.648 -3.756 8.647 18 HE2 MET 3 HE2 MET 3 -19.998 -4.023 8.082 19 HE3 MET 3 HE3 MET 3 -21.114 -3.050 7.122 20 H GLY 4 HN GLY 4 -17.827 2.632 6.347 21 HA2 GLY 4 HA2 GLY 4 -18.904 1.357 3.936 22 HA3 GLY 4 HA1 GLY 4 -19.135 3.036 4.410 23 H MET 5 HN MET 5 -16.442 3.604 4.984 24 HA MET 5 HA MET 5 -15.333 3.791 2.299 25 HB2 MET 5 HB2 MET 5 -14.597 5.068 4.931 26 HB3 MET 5 HB1 MET 5 -13.650 5.278 3.470 27 HG2 MET 5 HG2 MET 5 -15.347 6.464 2.397 28 HG3 MET 5 HG1 MET 5 -16.564 5.923 3.541 29 HE1 MET 5 HE1 MET 5 -13.329 9.083 4.471 30 HE2 MET 5 HE2 MET 5 -13.544 8.317 2.896 31 HE3 MET 5 HE3 MET 5 -12.944 7.374 4.262 32 HA PRO 6 HA PRO 6 -12.751 0.255 2.986 33 HB2 PRO 6 HB2 PRO 6 -10.949 1.561 1.047 34 HB3 PRO 6 HB1 PRO 6 -11.691 -0.037 0.990 35 HG2 PRO 6 HG2 PRO 6 -12.560 1.922 -0.580 36 HG3 PRO 6 HG1 PRO 6 -13.688 0.765 0.143 37 HD2 PRO 6 HD2 PRO 6 -13.078 3.576 0.948 38 HD3 PRO 6 HD1 PRO 6 -14.638 2.737 0.904 39 H LYS 7 HN LYS 7 -11.200 -0.144 4.415 40 HA LYS 7 HA LYS 7 -9.751 2.080 5.573 41 HB2 LYS 7 HB2 LYS 7 -10.848 -0.028 6.728 42 HB3 LYS 7 HB1 LYS 7 -9.306 -0.773 6.353 43 HG2 LYS 7 HG2 LYS 7 -9.279 0.063 8.608 44 HG3 LYS 7 HG1 LYS 7 -8.166 1.014 7.620 45 HD2 LYS 7 HD2 LYS 7 -9.600 2.854 7.569 46 HD3 LYS 7 HD1 LYS 7 -10.999 1.895 8.047 47 HE2 LYS 7 HE2 LYS 7 -10.454 3.137 9.955 48 HE3 LYS 7 HE1 LYS 7 -9.783 1.540 10.259 49 HZ1 LYS 7 HZ1 LYS 7 -8.306 3.959 9.408 50 HZ2 LYS 7 HZ2 LYS 7 -7.621 2.418 9.510 51 HZ3 LYS 7 HZ3 LYS 7 -8.206 3.175 10.902 52 H VAL 8 HN VAL 8 -8.068 2.759 4.432 53 HA VAL 8 HA VAL 8 -6.450 0.829 2.938 54 HB VAL 8 HB VAL 8 -6.429 3.847 2.775 55 HG11 VAL 8 HG11 VAL 8 -5.270 1.755 0.936 56 HG12 VAL 8 HG12 VAL 8 -4.359 2.809 2.017 57 HG13 VAL 8 HG13 VAL 8 -5.252 3.497 0.660 58 HG21 VAL 8 HG21 VAL 8 -7.762 3.628 0.759 59 HG22 VAL 8 HG22 VAL 8 -8.612 2.907 2.128 60 HG23 VAL 8 HG23 VAL 8 -7.801 1.875 0.949 61 H LEU 9 HN LEU 9 -4.455 0.345 3.522 62 HA LEU 9 HA LEU 9 -3.210 1.891 5.681 63 HB2 LEU 9 HB2 LEU 9 -3.577 -0.451 6.194 64 HB3 LEU 9 HB1 LEU 9 -2.759 -0.937 4.724 65 HG LEU 9 HG LEU 9 -0.637 -0.124 5.601 66 HD11 LEU 9 HD11 LEU 9 -0.451 0.714 7.874 67 HD12 LEU 9 HD12 LEU 9 -2.194 0.561 8.095 68 HD13 LEU 9 HD13 LEU 9 -1.551 1.732 6.944 69 HD21 LEU 9 HD21 LEU 9 -2.151 -1.920 7.490 70 HD22 LEU 9 HD22 LEU 9 -0.399 -1.730 7.461 71 HD23 LEU 9 HD23 LEU 9 -1.233 -2.414 6.065 72 H VAL 10 HN VAL 10 -1.788 3.353 4.970 73 HA VAL 10 HA VAL 10 -0.373 2.873 2.463 74 HB VAL 10 HB VAL 10 -0.622 5.331 4.195 75 HG11 VAL 10 HG11 VAL 10 1.012 4.997 1.674 76 HG12 VAL 10 HG12 VAL 10 1.655 5.256 3.296 77 HG13 VAL 10 HG13 VAL 10 0.707 6.520 2.511 78 HG21 VAL 10 HG21 VAL 10 -1.747 6.247 2.240 79 HG22 VAL 10 HG22 VAL 10 -2.532 4.758 2.772 80 HG23 VAL 10 HG23 VAL 10 -1.468 4.738 1.364 81 H LEU 11 HN LEU 11 1.544 2.043 2.404 82 HA LEU 11 HA LEU 11 3.332 2.289 4.722 83 HB2 LEU 11 HB2 LEU 11 2.888 0.196 2.758 84 HB3 LEU 11 HB1 LEU 11 4.580 0.650 2.836 85 HG LEU 11 HG LEU 11 4.207 -1.216 4.307 86 HD11 LEU 11 HD11 LEU 11 4.928 -0.262 6.442 87 HD12 LEU 11 HD12 LEU 11 4.443 1.349 5.907 88 HD13 LEU 11 HD13 LEU 11 5.765 0.509 5.094 89 HD21 LEU 11 HD21 LEU 11 1.768 -0.830 4.550 90 HD22 LEU 11 HD22 LEU 11 2.113 0.496 5.662 91 HD23 LEU 11 HD23 LEU 11 2.574 -1.152 6.080 92 H GLU 12 HN GLU 12 4.363 4.137 4.549 93 HA GLU 12 HA GLU 12 6.091 4.620 2.302 94 HB2 GLU 12 HB2 GLU 12 4.004 5.498 1.390 95 HB3 GLU 12 HB1 GLU 12 3.752 6.468 2.834 96 HG2 GLU 12 HG2 GLU 12 4.552 7.758 0.902 97 HG3 GLU 12 HG1 GLU 12 5.626 7.859 2.293 98 H ASP 13 HN ASP 13 7.861 5.570 3.021 99 HA ASP 13 HA ASP 13 7.916 6.475 5.788 100 HB2 ASP 13 HB2 ASP 13 9.595 4.845 4.990 101 HB3 ASP 13 HB1 ASP 13 10.177 6.029 3.833 102 H GLU 14 HN GLU 14 7.838 7.738 2.624 103 HA GLU 14 HA GLU 14 8.791 10.374 3.397 104 HB2 GLU 14 HB2 GLU 14 7.655 9.252 0.850 105 HB3 GLU 14 HB1 GLU 14 8.017 10.962 1.054 106 HG2 GLU 14 HG2 GLU 14 10.012 8.737 1.367 107 HG3 GLU 14 HG1 GLU 14 9.793 9.704 -0.084 108 HA PRO 15 HA PRO 15 4.719 11.097 5.145 109 HB2 PRO 15 HB2 PRO 15 5.765 13.824 5.446 110 HB3 PRO 15 HB1 PRO 15 5.084 12.742 6.657 111 HG2 PRO 15 HG2 PRO 15 7.709 13.224 6.579 112 HG3 PRO 15 HG1 PRO 15 7.084 11.608 6.961 113 HD2 PRO 15 HD2 PRO 15 8.243 12.635 4.400 114 HD3 PRO 15 HD1 PRO 15 8.465 11.061 5.190 115 H LEU 16 HN LEU 16 6.225 13.310 2.814 116 HA LEU 16 HA LEU 16 3.866 14.645 2.068 117 HB2 LEU 16 HB2 LEU 16 6.050 15.488 1.447 118 HB3 LEU 16 HB1 LEU 16 6.340 14.072 0.465 119 HG LEU 16 HG LEU 16 4.554 14.745 -1.073 120 HD11 LEU 16 HD11 LEU 16 3.134 15.922 0.544 121 HD12 LEU 16 HD12 LEU 16 3.479 16.910 -0.875 122 HD13 LEU 16 HD13 LEU 16 4.331 17.216 0.641 123 HD21 LEU 16 HD21 LEU 16 6.576 16.912 -0.522 124 HD22 LEU 16 HD22 LEU 16 5.666 16.709 -2.021 125 HD23 LEU 16 HD23 LEU 16 6.825 15.477 -1.518 126 H ILE 17 HN ILE 17 5.484 11.848 0.604 127 HA ILE 17 HA ILE 17 3.521 11.314 -1.339 128 HB ILE 17 HB ILE 17 5.451 9.402 -0.012 129 HG12 ILE 17 HG12 ILE 17 5.656 10.955 -2.593 130 HG13 ILE 17 HG11 ILE 17 6.539 11.284 -1.119 131 HG21 ILE 17 HG21 ILE 17 3.798 9.138 -2.504 132 HG22 ILE 17 HG22 ILE 17 3.742 8.125 -1.057 133 HG23 ILE 17 HG23 ILE 17 5.159 8.094 -2.106 134 HD11 ILE 17 HD11 ILE 17 7.672 9.139 -1.301 135 HD12 ILE 17 HD12 ILE 17 7.934 10.139 -2.729 136 HD13 ILE 17 HD13 ILE 17 6.784 8.804 -2.786 137 H ALA 18 HN ALA 18 4.019 10.033 1.925 138 HA ALA 18 HA ALA 18 1.924 8.201 2.008 139 HB1 ALA 18 HB1 ALA 18 2.085 8.362 4.421 140 HB2 ALA 18 HB2 ALA 18 2.971 9.880 4.286 141 HB3 ALA 18 HB3 ALA 18 3.699 8.379 3.709 142 H MET 19 HN MET 19 1.967 11.578 3.099 143 HA MET 19 HA MET 19 -0.730 11.796 3.772 144 HB2 MET 19 HB2 MET 19 1.159 13.330 4.381 145 HB3 MET 19 HB1 MET 19 1.078 13.960 2.744 146 HG2 MET 19 HG2 MET 19 -1.304 14.546 3.187 147 HG3 MET 19 HG1 MET 19 -1.013 14.126 4.872 148 HE1 MET 19 HE1 MET 19 1.201 17.515 2.658 149 HE2 MET 19 HE2 MET 19 0.009 16.455 1.906 150 HE3 MET 19 HE3 MET 19 1.566 15.807 2.419 151 H ASN 20 HN ASN 20 0.974 12.267 0.730 152 HA ASN 20 HA ASN 20 -1.128 13.499 -0.694 153 HB2 ASN 20 HB2 ASN 20 1.436 13.178 -1.261 154 HB3 ASN 20 HB1 ASN 20 0.837 11.761 -2.078 155 HD21 ASN 20 HD21 ASN 20 2.033 14.317 -3.015 156 HD22 ASN 20 HD22 ASN 20 0.925 14.920 -4.194 157 H LEU 21 HN LEU 21 -0.024 10.127 -0.580 158 HA LEU 21 HA LEU 21 -2.065 9.008 -2.130 159 HB2 LEU 21 HB2 LEU 21 -0.362 7.939 0.104 160 HB3 LEU 21 HB1 LEU 21 -1.536 6.941 -0.719 161 HG LEU 21 HG LEU 21 0.664 8.374 -2.180 162 HD11 LEU 21 HD11 LEU 21 0.679 5.543 -1.149 163 HD12 LEU 21 HD12 LEU 21 1.648 6.870 -0.507 164 HD13 LEU 21 HD13 LEU 21 1.912 6.302 -2.156 165 HD21 LEU 21 HD21 LEU 21 -1.282 7.646 -3.474 166 HD22 LEU 21 HD22 LEU 21 -1.053 6.003 -2.875 167 HD23 LEU 21 HD23 LEU 21 0.171 6.744 -3.907 168 H GLN 22 HN GLN 22 -1.791 9.566 1.328 169 HA GLN 22 HA GLN 22 -4.151 8.489 2.231 170 HB2 GLN 22 HB2 GLN 22 -2.440 9.312 3.708 171 HB3 GLN 22 HB1 GLN 22 -2.666 10.951 3.128 172 HG2 GLN 22 HG2 GLN 22 -4.927 10.951 4.094 173 HG3 GLN 22 HG1 GLN 22 -4.623 9.339 4.728 174 HE21 GLN 22 HE21 GLN 22 -4.868 10.003 6.847 175 HE22 GLN 22 HE22 GLN 22 -3.676 10.958 7.657 176 H TYR 23 HN TYR 23 -3.633 11.840 1.070 177 HA TYR 23 HA TYR 23 -6.363 12.563 1.279 178 HB2 TYR 23 HB2 TYR 23 -4.054 13.728 -0.260 179 HB3 TYR 23 HB1 TYR 23 -5.673 14.403 -0.358 180 HD1 TYR 23 HD2 TYR 23 -6.645 14.291 2.371 181 HD2 TYR 23 HD1 TYR 23 -2.747 15.208 0.940 182 HE1 TYR 23 HE2 TYR 23 -6.217 15.605 4.403 183 HE2 TYR 23 HE1 TYR 23 -2.308 16.523 2.970 184 HH TYR 23 HH TYR 23 -4.312 16.395 5.719 185 H ALA 24 HN ALA 24 -4.489 11.016 -1.230 186 HA ALA 24 HA ALA 24 -6.317 11.407 -3.355 187 HB1 ALA 24 HB1 ALA 24 -5.083 9.628 -4.491 188 HB2 ALA 24 HB2 ALA 24 -4.270 9.221 -2.979 189 HB3 ALA 24 HB3 ALA 24 -3.989 10.788 -3.738 190 H PHE 25 HN PHE 25 -5.862 8.762 -1.037 191 HA PHE 25 HA PHE 25 -7.964 7.148 -2.045 192 HB2 PHE 25 HB2 PHE 25 -6.481 7.228 0.568 193 HB3 PHE 25 HB1 PHE 25 -7.829 6.128 0.319 194 HD1 PHE 25 HD2 PHE 25 -7.666 4.334 -1.361 195 HD2 PHE 25 HD1 PHE 25 -4.369 6.849 -0.426 196 HE1 PHE 25 HE2 PHE 25 -6.145 2.730 -2.432 197 HE2 PHE 25 HE1 PHE 25 -2.840 5.253 -1.502 198 HZ PHE 25 HZ PHE 25 -3.743 3.154 -2.474 199 H GLU 26 HN GLU 26 -7.786 9.484 0.630 200 HA GLU 26 HA GLU 26 -10.448 9.194 1.473 201 HB2 GLU 26 HB2 GLU 26 -8.537 11.516 1.693 202 HB3 GLU 26 HB1 GLU 26 -10.132 11.512 2.437 203 HG2 GLU 26 HG2 GLU 26 -9.468 9.431 3.648 204 HG3 GLU 26 HG1 GLU 26 -7.835 9.661 3.020 205 H ASP 27 HN ASP 27 -9.013 11.048 -1.113 206 HA ASP 27 HA ASP 27 -11.253 12.612 -1.790 207 HB2 ASP 27 HB2 ASP 27 -9.015 13.059 -2.679 208 HB3 ASP 27 HB1 ASP 27 -9.071 11.546 -3.570 209 H GLU 28 HN GLU 28 -10.244 9.360 -2.762 210 HA GLU 28 HA GLU 28 -12.417 9.002 -4.595 211 HB2 GLU 28 HB2 GLU 28 -10.533 7.003 -3.334 212 HB3 GLU 28 HB1 GLU 28 -11.718 6.602 -4.568 213 HG2 GLU 28 HG2 GLU 28 -9.390 8.479 -4.878 214 HG3 GLU 28 HG1 GLU 28 -9.515 6.850 -5.532 215 H GLY 29 HN GLY 29 -12.106 8.831 -1.220 216 HA2 GLY 29 HA2 GLY 29 -14.111 8.776 0.107 217 HA3 GLY 29 HA1 GLY 29 -14.803 7.667 -1.066 218 H ALA 30 HN ALA 30 -11.646 7.582 0.547 219 HA ALA 30 HA ALA 30 -12.514 5.161 1.967 220 HB1 ALA 30 HB1 ALA 30 -10.407 4.059 1.435 221 HB2 ALA 30 HB2 ALA 30 -9.891 5.460 0.495 222 HB3 ALA 30 HB3 ALA 30 -11.263 4.491 -0.046 223 H GLU 31 HN GLU 31 -11.296 4.714 3.896 224 HA GLU 31 HA GLU 31 -10.195 7.144 5.103 225 HB2 GLU 31 HB2 GLU 31 -12.001 5.931 6.294 226 HB3 GLU 31 HB1 GLU 31 -10.955 4.520 6.395 227 HG2 GLU 31 HG2 GLU 31 -10.922 5.696 8.478 228 HG3 GLU 31 HG1 GLU 31 -9.347 5.832 7.706 229 H VAL 32 HN VAL 32 -8.101 7.147 6.062 230 HA VAL 32 HA VAL 32 -6.391 5.003 4.966 231 HB VAL 32 HB VAL 32 -5.739 7.943 5.022 232 HG11 VAL 32 HG11 VAL 32 -4.256 5.699 3.661 233 HG12 VAL 32 HG12 VAL 32 -3.799 6.390 5.216 234 HG13 VAL 32 HG13 VAL 32 -3.771 7.395 3.766 235 HG21 VAL 32 HG21 VAL 32 -6.018 7.922 2.618 236 HG22 VAL 32 HG22 VAL 32 -7.510 7.406 3.406 237 HG23 VAL 32 HG23 VAL 32 -6.447 6.211 2.662 238 H VAL 33 HN VAL 33 -4.721 4.285 6.172 239 HA VAL 33 HA VAL 33 -4.067 5.721 8.661 240 HB VAL 33 HB VAL 33 -3.503 2.816 8.153 241 HG11 VAL 33 HG11 VAL 33 -3.229 2.740 10.591 242 HG12 VAL 33 HG12 VAL 33 -3.544 4.473 10.666 243 HG13 VAL 33 HG13 VAL 33 -2.113 3.873 9.828 244 HG21 VAL 33 HG21 VAL 33 -5.418 2.268 9.586 245 HG22 VAL 33 HG22 VAL 33 -5.917 3.079 8.099 246 HG23 VAL 33 HG23 VAL 33 -5.870 3.974 9.617 247 H VAL 34 HN VAL 34 -1.990 6.441 8.824 248 HA VAL 34 HA VAL 34 -0.205 5.811 6.608 249 HB VAL 34 HB VAL 34 -0.660 8.166 7.178 250 HG11 VAL 34 HG11 VAL 34 0.819 7.568 9.731 251 HG12 VAL 34 HG12 VAL 34 -0.879 8.014 9.578 252 HG13 VAL 34 HG13 VAL 34 0.378 9.177 9.158 253 HG21 VAL 34 HG21 VAL 34 1.404 7.513 6.028 254 HG22 VAL 34 HG22 VAL 34 2.216 7.363 7.585 255 HG23 VAL 34 HG23 VAL 34 1.640 8.938 7.039 256 H ALA 35 HN ALA 35 1.516 4.519 6.800 257 HA ALA 35 HA ALA 35 2.837 4.279 9.399 258 HB1 ALA 35 HB1 ALA 35 2.934 1.923 9.383 259 HB2 ALA 35 HB2 ALA 35 2.309 1.826 7.734 260 HB3 ALA 35 HB3 ALA 35 1.248 2.333 9.054 261 H ALA 36 HN ALA 36 4.999 4.315 9.251 262 HA ALA 36 HA ALA 36 6.183 4.319 6.566 263 HB1 ALA 36 HB1 ALA 36 8.082 5.447 7.581 264 HB2 ALA 36 HB2 ALA 36 7.357 5.251 9.183 265 HB3 ALA 36 HB3 ALA 36 6.583 6.287 7.982 266 H THR 37 HN THR 37 5.832 2.329 9.250 267 HA THR 37 HA THR 37 8.201 0.766 8.481 268 HB THR 37 HB THR 37 8.416 0.022 10.822 269 HG1 THR 37 HG1 THR 37 7.213 1.436 12.378 270 HG21 THR 37 HG21 THR 37 8.438 3.024 10.538 271 HG22 THR 37 HG22 THR 37 9.741 1.934 10.066 272 HG23 THR 37 HG23 THR 37 9.297 2.096 11.765 273 H CYS 38 HN CYS 38 8.017 -1.540 8.949 274 HA CYS 38 HA CYS 38 5.523 -2.638 8.194 275 HB2 CYS 38 HB2 CYS 38 7.902 -3.995 9.488 276 HB3 CYS 38 HB1 CYS 38 6.577 -4.808 8.662 277 HG CYS 38 HG CYS 38 9.333 -3.461 7.407 278 H GLU 39 HN GLU 39 7.103 -2.024 11.240 279 HA GLU 39 HA GLU 39 5.432 -3.521 12.921 280 HB2 GLU 39 HB2 GLU 39 6.991 -1.008 13.476 281 HB3 GLU 39 HB1 GLU 39 6.263 -2.022 14.711 282 HG2 GLU 39 HG2 GLU 39 7.683 -3.871 14.073 283 HG3 GLU 39 HG1 GLU 39 8.370 -2.916 12.759 284 H GLN 40 HN GLN 40 5.284 -0.062 11.997 285 HA GLN 40 HA GLN 40 2.940 0.580 13.368 286 HB2 GLN 40 HB2 GLN 40 4.161 1.630 10.833 287 HB3 GLN 40 HB1 GLN 40 2.676 2.292 11.476 288 HG2 GLN 40 HG2 GLN 40 3.961 2.711 13.609 289 HG3 GLN 40 HG1 GLN 40 5.407 2.338 12.673 290 HE21 GLN 40 HE21 GLN 40 6.149 3.775 11.176 291 HE22 GLN 40 HE22 GLN 40 5.520 5.381 11.012 292 H ALA 41 HN ALA 41 3.445 -0.779 10.180 293 HA ALA 41 HA ALA 41 0.807 -0.709 9.257 294 HB1 ALA 41 HB1 ALA 41 2.859 -2.790 8.564 295 HB2 ALA 41 HB2 ALA 41 2.885 -1.142 7.934 296 HB3 ALA 41 HB3 ALA 41 1.525 -2.206 7.568 297 H LEU 42 HN LEU 42 2.612 -3.385 10.773 298 HA LEU 42 HA LEU 42 0.502 -5.219 10.774 299 HB2 LEU 42 HB2 LEU 42 2.828 -5.018 12.681 300 HB3 LEU 42 HB1 LEU 42 1.825 -6.429 12.435 301 HG LEU 42 HG LEU 42 3.623 -5.180 10.369 302 HD11 LEU 42 HD11 LEU 42 4.871 -6.277 12.141 303 HD12 LEU 42 HD12 LEU 42 4.974 -7.196 10.638 304 HD13 LEU 42 HD13 LEU 42 3.905 -7.740 11.931 305 HD21 LEU 42 HD21 LEU 42 3.119 -7.233 9.070 306 HD22 LEU 42 HD22 LEU 42 1.730 -6.170 9.288 307 HD23 LEU 42 HD23 LEU 42 1.879 -7.637 10.259 308 H LYS 43 HN LYS 43 1.325 -2.619 12.928 309 HA LYS 43 HA LYS 43 -0.333 -3.386 15.099 310 HB2 LYS 43 HB2 LYS 43 1.565 -1.689 15.119 311 HB3 LYS 43 HB1 LYS 43 0.465 -0.574 14.335 312 HG2 LYS 43 HG2 LYS 43 -0.150 -1.847 16.987 313 HG3 LYS 43 HG1 LYS 43 0.751 -0.341 16.840 314 HD2 LYS 43 HD2 LYS 43 -1.179 0.607 15.573 315 HD3 LYS 43 HD1 LYS 43 -2.074 -0.871 15.926 316 HE2 LYS 43 HE2 LYS 43 -2.690 0.828 17.515 317 HE3 LYS 43 HE1 LYS 43 -1.774 -0.433 18.339 318 HZ1 LYS 43 HZ1 LYS 43 -0.686 2.179 17.431 319 HZ2 LYS 43 HZ2 LYS 43 0.184 0.975 18.241 320 HZ3 LYS 43 HZ3 LYS 43 -1.079 1.775 19.026 321 H SER 44 HN SER 44 -0.796 -1.036 12.463 322 HA SER 44 HA SER 44 -3.480 -0.452 13.128 323 HB2 SER 44 HB2 SER 44 -2.034 1.001 11.702 324 HB3 SER 44 HB1 SER 44 -2.156 -0.199 10.415 325 HG SER 44 HG SER 44 -4.165 1.448 11.508 326 H LEU 45 HN LEU 45 -1.968 -2.836 11.070 327 HA LEU 45 HA LEU 45 -4.205 -3.783 9.696 328 HB2 LEU 45 HB2 LEU 45 -1.726 -4.272 9.348 329 HB3 LEU 45 HB1 LEU 45 -1.884 -5.457 10.626 330 HG LEU 45 HG LEU 45 -3.535 -6.687 9.295 331 HD11 LEU 45 HD11 LEU 45 -2.980 -4.556 7.235 332 HD12 LEU 45 HD12 LEU 45 -4.515 -4.876 8.045 333 HD13 LEU 45 HD13 LEU 45 -3.846 -6.061 6.924 334 HD21 LEU 45 HD21 LEU 45 -0.972 -6.071 7.836 335 HD22 LEU 45 HD22 LEU 45 -1.993 -7.485 7.571 336 HD23 LEU 45 HD23 LEU 45 -1.180 -7.262 9.120 337 H ALA 46 HN ALA 46 -2.940 -4.526 12.900 338 HA ALA 46 HA ALA 46 -4.825 -6.678 13.322 339 HB1 ALA 46 HB1 ALA 46 -2.598 -6.748 14.338 340 HB2 ALA 46 HB2 ALA 46 -3.870 -6.807 15.558 341 HB3 ALA 46 HB3 ALA 46 -2.986 -5.308 15.279 342 H ASP 47 HN ASP 47 -4.566 -3.285 14.095 343 HA ASP 47 HA ASP 47 -6.673 -3.315 16.056 344 HB2 ASP 47 HB2 ASP 47 -4.809 -1.719 16.186 345 HB3 ASP 47 HB1 ASP 47 -5.319 -0.995 14.668 346 H ASN 48 HN ASN 48 -6.368 -2.466 12.662 347 HA ASN 48 HA ASN 48 -9.245 -1.804 12.599 348 HB2 ASN 48 HB2 ASN 48 -7.103 -0.889 10.675 349 HB3 ASN 48 HB1 ASN 48 -8.782 -0.403 10.661 350 HD21 ASN 48 HD21 ASN 48 -5.724 -0.033 12.158 351 HD22 ASN 48 HD22 ASN 48 -6.118 1.346 13.124 352 HA PRO 49 HA PRO 49 -9.573 -4.959 9.459 353 HB2 PRO 49 HB2 PRO 49 -11.942 -4.216 8.378 354 HB3 PRO 49 HB1 PRO 49 -11.800 -4.948 9.977 355 HG2 PRO 49 HG2 PRO 49 -12.527 -2.218 9.271 356 HG3 PRO 49 HG1 PRO 49 -12.646 -3.031 10.838 357 HD2 PRO 49 HD2 PRO 49 -10.594 -1.202 9.852 358 HD3 PRO 49 HD1 PRO 49 -10.879 -1.768 11.506 359 H ILE 50 HN ILE 50 -7.768 -4.196 8.197 360 HA ILE 50 HA ILE 50 -7.958 -2.080 6.348 361 HB ILE 50 HB ILE 50 -5.996 -4.350 6.581 362 HG12 ILE 50 HG12 ILE 50 -6.008 -2.781 8.443 363 HG13 ILE 50 HG11 ILE 50 -4.533 -2.612 7.508 364 HG21 ILE 50 HG21 ILE 50 -5.801 -1.899 4.855 365 HG22 ILE 50 HG22 ILE 50 -6.047 -3.548 4.280 366 HG23 ILE 50 HG23 ILE 50 -4.543 -3.110 5.093 367 HD11 ILE 50 HD11 ILE 50 -6.919 -0.776 7.515 368 HD12 ILE 50 HD12 ILE 50 -5.583 -0.652 6.368 369 HD13 ILE 50 HD13 ILE 50 -5.287 -0.432 8.093 370 H ASP 51 HN ASP 51 -8.881 -1.977 4.479 371 HA ASP 51 HA ASP 51 -9.935 -4.377 3.218 372 HB2 ASP 51 HB2 ASP 51 -10.369 -1.433 2.708 373 HB3 ASP 51 HB1 ASP 51 -11.073 -2.699 1.714 374 H VAL 52 HN VAL 52 -7.563 -1.872 2.695 375 HA VAL 52 HA VAL 52 -6.323 -3.385 0.597 376 HB VAL 52 HB VAL 52 -8.117 -2.204 -0.655 377 HG11 VAL 52 HG11 VAL 52 -8.438 -0.230 0.601 378 HG12 VAL 52 HG12 VAL 52 -7.821 0.267 -0.976 379 HG13 VAL 52 HG13 VAL 52 -6.749 0.239 0.419 380 HG21 VAL 52 HG21 VAL 52 -6.690 -1.217 -2.386 381 HG22 VAL 52 HG22 VAL 52 -6.065 -2.765 -1.809 382 HG23 VAL 52 HG23 VAL 52 -5.327 -1.257 -1.266 383 H ALA 53 HN ALA 53 -4.252 -2.394 -0.052 384 HA ALA 53 HA ALA 53 -3.315 -0.280 1.732 385 HB1 ALA 53 HB1 ALA 53 -1.863 -2.907 1.496 386 HB2 ALA 53 HB2 ALA 53 -2.931 -2.486 2.837 387 HB3 ALA 53 HB3 ALA 53 -1.464 -1.547 2.550 388 H VAL 54 HN VAL 54 -1.247 0.593 1.140 389 HA VAL 54 HA VAL 54 -0.302 -0.089 -1.558 390 HB VAL 54 HB VAL 54 0.342 2.550 -1.395 391 HG11 VAL 54 HG11 VAL 54 -0.457 1.637 -3.391 392 HG12 VAL 54 HG12 VAL 54 -1.655 2.858 -2.942 393 HG13 VAL 54 HG13 VAL 54 -1.988 1.147 -2.656 394 HG21 VAL 54 HG21 VAL 54 -1.640 3.793 -0.743 395 HG22 VAL 54 HG22 VAL 54 -1.018 2.861 0.617 396 HG23 VAL 54 HG23 VAL 54 -2.439 2.297 -0.261 397 H LEU 55 HN LEU 55 1.705 -0.783 -1.384 398 HA LEU 55 HA LEU 55 3.221 0.046 0.995 399 HB2 LEU 55 HB2 LEU 55 2.939 -2.563 -0.427 400 HB3 LEU 55 HB1 LEU 55 4.402 -2.231 0.473 401 HG LEU 55 HG LEU 55 3.100 -1.998 2.535 402 HD11 LEU 55 HD11 LEU 55 0.722 -2.713 0.833 403 HD12 LEU 55 HD12 LEU 55 1.005 -1.162 1.628 404 HD13 LEU 55 HD13 LEU 55 0.742 -2.619 2.594 405 HD21 LEU 55 HD21 LEU 55 3.966 -4.165 2.000 406 HD22 LEU 55 HD22 LEU 55 2.581 -4.509 0.964 407 HD23 LEU 55 HD23 LEU 55 2.362 -4.350 2.710 408 H ASP 56 HN ASP 56 4.946 1.308 0.569 409 HA ASP 56 HA ASP 56 6.323 1.074 -1.961 410 HB2 ASP 56 HB2 ASP 56 6.237 3.264 -0.759 411 HB3 ASP 56 HB1 ASP 56 7.230 2.563 0.514 412 H VAL 57 HN VAL 57 7.594 -0.503 -2.370 413 HA VAL 57 HA VAL 57 8.565 -2.294 -0.369 414 HB VAL 57 HB VAL 57 9.295 -2.221 -3.304 415 HG11 VAL 57 HG11 VAL 57 9.187 -4.500 -1.342 416 HG12 VAL 57 HG12 VAL 57 10.649 -3.709 -1.928 417 HG13 VAL 57 HG13 VAL 57 9.626 -4.612 -3.046 418 HG21 VAL 57 HG21 VAL 57 6.866 -2.150 -3.036 419 HG22 VAL 57 HG22 VAL 57 6.940 -3.579 -2.005 420 HG23 VAL 57 HG23 VAL 57 7.402 -3.690 -3.703 421 H ASN 58 HN ASN 58 9.634 0.630 -1.534 422 HA ASN 58 HA ASN 58 12.395 0.044 -0.696 423 HB2 ASN 58 HB2 ASN 58 12.180 0.377 -3.184 424 HB3 ASN 58 HB1 ASN 58 11.627 2.016 -2.861 425 HD21 ASN 58 HD21 ASN 58 13.090 3.569 -2.340 426 HD22 ASN 58 HD22 ASN 58 14.800 3.321 -2.348 427 H LEU 59 HN LEU 59 11.146 0.694 1.324 428 HA LEU 59 HA LEU 59 10.421 3.380 1.787 429 HB2 LEU 59 HB2 LEU 59 11.420 1.309 3.754 430 HB3 LEU 59 HB1 LEU 59 10.594 2.797 4.175 431 HG LEU 59 HG LEU 59 9.345 0.585 2.540 432 HD11 LEU 59 HD11 LEU 59 9.888 -0.141 4.842 433 HD12 LEU 59 HD12 LEU 59 8.154 -0.067 4.529 434 HD13 LEU 59 HD13 LEU 59 8.940 1.210 5.462 435 HD21 LEU 59 HD21 LEU 59 8.393 2.809 2.173 436 HD22 LEU 59 HD22 LEU 59 8.152 2.993 3.910 437 HD23 LEU 59 HD23 LEU 59 7.263 1.754 3.022 438 H GLY 60 HN GLY 60 13.425 1.648 1.854 439 HA2 GLY 60 HA2 GLY 60 14.892 4.123 1.688 440 HA3 GLY 60 HA1 GLY 60 15.201 3.207 3.160 441 HA PRO 61 HA PRO 61 18.280 1.771 -0.056 442 HB2 PRO 61 HB2 PRO 61 19.708 1.353 2.500 443 HB3 PRO 61 HB1 PRO 61 20.307 2.008 0.977 444 HG2 PRO 61 HG2 PRO 61 19.811 3.613 3.044 445 HG3 PRO 61 HG1 PRO 61 19.424 4.114 1.387 446 HD2 PRO 61 HD2 PRO 61 17.604 3.162 3.553 447 HD3 PRO 61 HD1 PRO 61 17.332 4.400 2.312 448 H LYS 62 HN LYS 62 17.368 0.411 3.093 449 HA LYS 62 HA LYS 62 17.341 -2.248 1.825 450 HB2 LYS 62 HB2 LYS 62 19.237 -2.045 3.387 451 HB3 LYS 62 HB1 LYS 62 18.125 -1.621 4.677 452 HG2 LYS 62 HG2 LYS 62 17.081 -3.815 4.522 453 HG3 LYS 62 HG1 LYS 62 18.161 -4.245 3.196 454 HD2 LYS 62 HD2 LYS 62 19.244 -3.392 5.859 455 HD3 LYS 62 HD1 LYS 62 18.729 -5.053 5.582 456 HE2 LYS 62 HE2 LYS 62 21.104 -4.882 5.212 457 HE3 LYS 62 HE1 LYS 62 20.297 -5.190 3.678 458 HZ1 LYS 62 HZ1 LYS 62 22.082 -3.474 3.619 459 HZ2 LYS 62 HZ2 LYS 62 21.106 -2.482 4.572 460 HZ3 LYS 62 HZ3 LYS 62 20.591 -2.949 3.029 461 H SER 63 HN SER 63 15.905 -0.032 4.121 462 HA SER 63 HA SER 63 13.983 -1.726 5.229 463 HB2 SER 63 HB2 SER 63 12.750 0.571 5.540 464 HB3 SER 63 HB1 SER 63 14.241 0.235 6.421 465 HG SER 63 HG SER 63 14.099 2.324 5.287 466 H HIS 64 HN HIS 64 12.125 -2.491 4.547 467 HA HIS 64 HA HIS 64 10.880 -1.439 2.125 468 HB2 HIS 64 HB2 HIS 64 10.819 -3.708 1.110 469 HB3 HIS 64 HB1 HIS 64 12.456 -3.082 1.267 470 HD1 HIS 64 HD1 HIS 64 10.174 -5.255 3.426 471 HD2 HIS 64 HD2 HIS 64 14.119 -5.006 2.167 472 HE1 HIS 64 HE1 HIS 64 11.318 -7.236 4.438 473 HE2 HIS 64 HE2 HIS 64 13.744 -6.964 3.815 474 H CYS 65 HN CYS 65 8.681 -2.093 1.876 475 HA CYS 65 HA CYS 65 7.264 -2.979 4.170 476 HB2 CYS 65 HB2 CYS 65 5.352 -3.029 2.667 477 HB3 CYS 65 HB1 CYS 65 6.314 -1.588 2.352 478 HG CYS 65 HG CYS 65 6.829 -4.359 0.495 479 H GLY 66 HN GLY 66 8.339 -4.947 4.807 480 HA2 GLY 66 HA2 GLY 66 8.216 -7.151 2.854 481 HA3 GLY 66 HA1 GLY 66 9.240 -7.110 4.279 482 HA PRO 67 HA PRO 67 6.358 -9.384 6.737 483 HB2 PRO 67 HB2 PRO 67 6.162 -7.097 8.605 484 HB3 PRO 67 HB1 PRO 67 6.596 -8.774 8.919 485 HG2 PRO 67 HG2 PRO 67 8.425 -6.806 8.890 486 HG3 PRO 67 HG1 PRO 67 8.792 -8.462 8.382 487 HD2 PRO 67 HD2 PRO 67 8.427 -6.021 6.746 488 HD3 PRO 67 HD1 PRO 67 9.382 -7.476 6.425 489 H VAL 68 HN VAL 68 5.639 -6.067 5.888 490 HA VAL 68 HA VAL 68 2.874 -6.111 6.572 491 HB VAL 68 HB VAL 68 4.077 -4.411 4.394 492 HG11 VAL 68 HG11 VAL 68 2.352 -2.841 5.015 493 HG12 VAL 68 HG12 VAL 68 1.825 -3.897 6.328 494 HG13 VAL 68 HG13 VAL 68 1.634 -4.413 4.651 495 HG21 VAL 68 HG21 VAL 68 5.535 -4.204 6.316 496 HG22 VAL 68 HG22 VAL 68 4.147 -3.913 7.365 497 HG23 VAL 68 HG23 VAL 68 4.577 -2.735 6.123 498 H ALA 69 HN ALA 69 4.685 -6.651 3.596 499 HA ALA 69 HA ALA 69 2.536 -7.025 1.847 500 HB1 ALA 69 HB1 ALA 69 4.163 -8.222 0.442 501 HB2 ALA 69 HB2 ALA 69 5.293 -8.252 1.796 502 HB3 ALA 69 HB3 ALA 69 4.823 -6.713 1.071 503 H ASP 70 HN ASP 70 4.506 -9.376 3.601 504 HA ASP 70 HA ASP 70 3.061 -11.675 2.896 505 HB2 ASP 70 HB2 ASP 70 5.314 -11.739 3.881 506 HB3 ASP 70 HB1 ASP 70 4.680 -11.093 5.393 507 H ALA 71 HN ALA 71 2.691 -9.380 5.544 508 HA ALA 71 HA ALA 71 0.770 -10.696 7.082 509 HB1 ALA 71 HB1 ALA 71 0.970 -7.734 6.603 510 HB2 ALA 71 HB2 ALA 71 1.994 -8.643 7.717 511 HB3 ALA 71 HB3 ALA 71 0.255 -8.543 8.000 512 H LEU 72 HN LEU 72 0.366 -8.381 4.430 513 HA LEU 72 HA LEU 72 -2.458 -8.472 4.397 514 HB2 LEU 72 HB2 LEU 72 -0.483 -7.664 2.270 515 HB3 LEU 72 HB1 LEU 72 -2.211 -7.387 2.184 516 HG LEU 72 HG LEU 72 -0.435 -6.258 4.347 517 HD11 LEU 72 HD11 LEU 72 0.177 -5.341 2.210 518 HD12 LEU 72 HD12 LEU 72 -0.676 -4.141 3.188 519 HD13 LEU 72 HD13 LEU 72 -1.512 -4.962 1.863 520 HD21 LEU 72 HD21 LEU 72 -3.296 -5.736 3.555 521 HD22 LEU 72 HD22 LEU 72 -2.389 -4.802 4.748 522 HD23 LEU 72 HD23 LEU 72 -2.738 -6.508 5.039 523 H LYS 73 HN LYS 73 0.064 -10.159 2.624 524 HA LYS 73 HA LYS 73 -1.522 -11.664 0.891 525 HB2 LYS 73 HB2 LYS 73 1.153 -12.143 2.154 526 HB3 LYS 73 HB1 LYS 73 0.452 -13.301 1.041 527 HG2 LYS 73 HG2 LYS 73 1.066 -10.419 0.445 528 HG3 LYS 73 HG1 LYS 73 2.006 -11.810 -0.067 529 HD2 LYS 73 HD2 LYS 73 -0.856 -11.309 -0.851 530 HD3 LYS 73 HD1 LYS 73 0.541 -10.905 -1.846 531 HE2 LYS 73 HE2 LYS 73 1.195 -13.303 -1.793 532 HE3 LYS 73 HE1 LYS 73 -0.309 -13.650 -0.939 533 HZ1 LYS 73 HZ1 LYS 73 -1.544 -12.805 -2.826 534 HZ2 LYS 73 HZ2 LYS 73 -0.508 -14.046 -3.319 535 HZ3 LYS 73 HZ3 LYS 73 -0.109 -12.436 -3.642 536 H GLN 74 HN GLN 74 -0.568 -12.250 4.237 537 HA GLN 74 HA GLN 74 -1.639 -14.855 4.459 538 HB2 GLN 74 HB2 GLN 74 -1.091 -12.739 6.532 539 HB3 GLN 74 HB1 GLN 74 -1.691 -14.339 6.942 540 HG2 GLN 74 HG2 GLN 74 0.306 -15.330 5.914 541 HG3 GLN 74 HG1 GLN 74 0.911 -13.708 5.571 542 HE21 GLN 74 HE21 GLN 74 0.264 -16.068 8.033 543 HE22 GLN 74 HE22 GLN 74 1.155 -15.292 9.293 544 H ARG 75 HN ARG 75 -3.040 -11.662 5.093 545 HA ARG 75 HA ARG 75 -5.533 -12.870 5.973 546 HB2 ARG 75 HB2 ARG 75 -4.840 -9.958 5.584 547 HB3 ARG 75 HB1 ARG 75 -6.243 -10.591 6.431 548 HG2 ARG 75 HG2 ARG 75 -4.841 -11.517 8.156 549 HG3 ARG 75 HG1 ARG 75 -3.387 -11.038 7.274 550 HD2 ARG 75 HD2 ARG 75 -4.068 -8.686 7.475 551 HD3 ARG 75 HD1 ARG 75 -5.482 -9.185 8.392 552 HE ARG 75 HE ARG 75 -2.754 -9.738 9.354 553 HH11 ARG 75 HH11 ARG 75 -5.989 -8.502 9.856 554 HH12 ARG 75 HH12 ARG 75 -5.686 -8.003 11.487 555 HH21 ARG 75 HH21 ARG 75 -2.345 -9.089 11.509 556 HH22 ARG 75 HH22 ARG 75 -3.621 -8.363 12.437 557 H ALA 76 HN ALA 76 -4.196 -12.417 3.083 558 HA ALA 76 HA ALA 76 -4.904 -12.338 0.940 559 HB1 ALA 76 HB1 ALA 76 -6.427 -14.110 1.679 560 HB2 ALA 76 HB2 ALA 76 -7.147 -13.105 0.422 561 HB3 ALA 76 HB3 ALA 76 -7.628 -12.893 2.104 562 H ILE 77 HN ILE 77 -4.810 -9.901 2.500 563 HA ILE 77 HA ILE 77 -7.005 -8.265 1.561 564 HB ILE 77 HB ILE 77 -4.450 -7.545 3.014 565 HG12 ILE 77 HG12 ILE 77 -7.265 -7.565 4.094 566 HG13 ILE 77 HG11 ILE 77 -6.214 -8.974 4.185 567 HG21 ILE 77 HG21 ILE 77 -6.853 -5.861 2.314 568 HG22 ILE 77 HG22 ILE 77 -5.194 -5.637 1.754 569 HG23 ILE 77 HG23 ILE 77 -5.593 -5.379 3.453 570 HD11 ILE 77 HD11 ILE 77 -6.233 -7.653 6.251 571 HD12 ILE 77 HD12 ILE 77 -5.581 -6.278 5.358 572 HD13 ILE 77 HD13 ILE 77 -4.631 -7.760 5.523 573 HA PRO 78 HA PRO 78 -4.885 -7.330 -2.222 574 HB2 PRO 78 HB2 PRO 78 -6.555 -5.339 -3.043 575 HB3 PRO 78 HB1 PRO 78 -6.864 -7.059 -3.266 576 HG2 PRO 78 HG2 PRO 78 -8.061 -5.157 -1.367 577 HG3 PRO 78 HG1 PRO 78 -8.724 -6.657 -2.024 578 HD2 PRO 78 HD2 PRO 78 -7.652 -6.285 0.534 579 HD3 PRO 78 HD1 PRO 78 -8.010 -7.839 -0.230 580 H PHE 79 HN PHE 79 -3.329 -5.963 -2.773 581 HA PHE 79 HA PHE 79 -3.260 -3.253 -1.825 582 HB2 PHE 79 HB2 PHE 79 -1.138 -3.438 -0.619 583 HB3 PHE 79 HB1 PHE 79 -2.419 -4.348 0.154 584 HD1 PHE 79 HD2 PHE 79 -2.517 -6.871 -0.466 585 HD2 PHE 79 HD1 PHE 79 0.918 -4.421 -0.951 586 HE1 PHE 79 HE2 PHE 79 -1.094 -8.876 -0.480 587 HE2 PHE 79 HE1 PHE 79 2.353 -6.421 -0.973 588 HZ PHE 79 HZ PHE 79 1.404 -8.609 -0.627 589 H ILE 80 HN ILE 80 -1.489 -2.058 -2.691 590 HA ILE 80 HA ILE 80 -0.296 -3.350 -5.059 591 HB ILE 80 HB ILE 80 -1.290 -0.505 -4.847 592 HG12 ILE 80 HG12 ILE 80 -2.246 -2.914 -6.388 593 HG13 ILE 80 HG11 ILE 80 -3.134 -1.973 -5.196 594 HG21 ILE 80 HG21 ILE 80 0.083 -1.888 -7.149 595 HG22 ILE 80 HG22 ILE 80 0.768 -0.607 -6.146 596 HG23 ILE 80 HG23 ILE 80 -0.615 -0.268 -7.186 597 HD11 ILE 80 HD11 ILE 80 -3.912 -1.514 -7.443 598 HD12 ILE 80 HD12 ILE 80 -2.287 -1.020 -7.918 599 HD13 ILE 80 HD13 ILE 80 -3.182 -0.079 -6.725 600 H LEU 81 HN LEU 81 1.831 -2.923 -5.460 601 HA LEU 81 HA LEU 81 3.287 -1.678 -3.269 602 HB2 LEU 81 HB2 LEU 81 4.296 -3.127 -5.720 603 HB3 LEU 81 HB1 LEU 81 5.307 -2.515 -4.429 604 HG LEU 81 HG LEU 81 5.160 -4.769 -3.942 605 HD11 LEU 81 HD11 LEU 81 2.882 -3.539 -2.404 606 HD12 LEU 81 HD12 LEU 81 4.591 -3.430 -1.989 607 HD13 LEU 81 HD13 LEU 81 3.773 -4.992 -1.952 608 HD21 LEU 81 HD21 LEU 81 2.210 -4.720 -4.543 609 HD22 LEU 81 HD22 LEU 81 3.183 -6.131 -4.129 610 HD23 LEU 81 HD23 LEU 81 3.461 -5.284 -5.650 611 H HIS 82 HN HIS 82 3.423 0.442 -3.373 612 HA HIS 82 HA HIS 82 3.944 1.691 -5.979 613 HB2 HIS 82 HB2 HIS 82 1.988 2.601 -4.844 614 HB3 HIS 82 HB1 HIS 82 2.912 2.892 -3.381 615 HD1 HIS 82 HD1 HIS 82 1.967 5.392 -3.721 616 HD2 HIS 82 HD2 HIS 82 4.762 4.113 -6.512 617 HE1 HIS 82 HE1 HIS 82 2.749 7.471 -4.903 618 HE2 HIS 82 HE2 HIS 82 4.567 6.695 -6.446 619 H THR 83 HN THR 83 6.049 0.839 -5.863 620 HA THR 83 HA THR 83 7.783 1.812 -3.724 621 HB THR 83 HB THR 83 7.734 -0.596 -4.081 622 HG1 THR 83 HG1 THR 83 9.749 0.499 -3.525 623 HG21 THR 83 HG21 THR 83 8.770 -0.026 -6.852 624 HG22 THR 83 HG22 THR 83 7.121 -0.527 -6.469 625 HG23 THR 83 HG23 THR 83 8.476 -1.614 -6.141 626 H GLY 84 HN GLY 84 9.862 2.654 -4.191 627 HA2 GLY 84 HA2 GLY 84 9.960 4.125 -6.720 628 HA3 GLY 84 HA1 GLY 84 10.898 4.484 -5.280 629 H ASP 85 HN ASP 85 11.068 1.215 -5.685 630 HA ASP 85 HA ASP 85 13.074 1.165 -7.764 631 HB2 ASP 85 HB2 ASP 85 14.303 1.926 -5.692 632 HB3 ASP 85 HB1 ASP 85 13.904 0.369 -4.969 633 H LEU 86 HN LEU 86 12.796 -0.664 -8.834 634 HA LEU 86 HA LEU 86 11.344 -2.824 -7.475 635 HB2 LEU 86 HB2 LEU 86 11.504 -2.100 -10.398 636 HB3 LEU 86 HB1 LEU 86 10.741 -3.558 -9.800 637 HG LEU 86 HG LEU 86 9.204 -2.028 -8.451 638 HD11 LEU 86 HD11 LEU 86 8.912 0.241 -9.325 639 HD12 LEU 86 HD12 LEU 86 10.329 0.020 -10.352 640 HD13 LEU 86 HD13 LEU 86 10.504 0.017 -8.597 641 HD21 LEU 86 HD21 LEU 86 8.457 -3.229 -10.418 642 HD22 LEU 86 HD22 LEU 86 9.096 -1.960 -11.460 643 HD23 LEU 86 HD23 LEU 86 7.747 -1.615 -10.379 644 H ASP 87 HN ASP 87 14.336 -2.066 -9.014 645 HA ASP 87 HA ASP 87 14.892 -4.820 -9.730 646 HB2 ASP 87 HB2 ASP 87 17.035 -4.004 -10.564 647 HB3 ASP 87 HB1 ASP 87 15.710 -3.032 -11.189 648 H ARG 88 HN ARG 88 15.688 -2.577 -7.179 649 HA ARG 88 HA ARG 88 17.688 -4.287 -6.000 650 HB2 ARG 88 HB2 ARG 88 17.715 -1.838 -5.744 651 HB3 ARG 88 HB1 ARG 88 16.221 -1.932 -4.823 652 HG2 ARG 88 HG2 ARG 88 17.255 -2.927 -3.005 653 HG3 ARG 88 HG1 ARG 88 18.644 -3.450 -3.961 654 HD2 ARG 88 HD2 ARG 88 19.281 -1.598 -2.564 655 HD3 ARG 88 HD1 ARG 88 19.288 -1.111 -4.257 656 HE ARG 88 HE ARG 88 16.791 -0.478 -3.157 657 HH11 ARG 88 HH11 ARG 88 20.132 0.512 -2.947 658 HH12 ARG 88 HH12 ARG 88 19.758 2.134 -2.461 659 HH21 ARG 88 HH21 ARG 88 16.276 1.649 -2.496 660 HH22 ARG 88 HH22 ARG 88 17.559 2.784 -2.197 661 H HIS 89 HN HIS 89 14.359 -4.381 -6.179 662 HA HIS 89 HA HIS 89 14.204 -6.040 -3.757 663 HB2 HIS 89 HB2 HIS 89 12.185 -3.974 -4.640 664 HB3 HIS 89 HB1 HIS 89 11.921 -5.134 -3.348 665 HD1 HIS 89 HD1 HIS 89 13.876 -4.924 -1.351 666 HD2 HIS 89 HD2 HIS 89 13.174 -1.629 -3.785 667 HE1 HIS 89 HE1 HIS 89 14.830 -2.952 -0.112 668 HE2 HIS 89 HE2 HIS 89 14.354 -0.959 -1.584 669 H GLY 90 HN GLY 90 14.458 -6.646 -6.654 670 HA2 GLY 90 HA2 GLY 90 11.959 -7.370 -7.745 671 HA3 GLY 90 HA1 GLY 90 13.516 -7.970 -8.277 672 H GLU 91 HN GLU 91 14.333 -9.249 -5.918 673 HA GLU 91 HA GLU 91 12.896 -11.696 -6.177 674 HB2 GLU 91 HB2 GLU 91 14.984 -10.958 -4.119 675 HB3 GLU 91 HB1 GLU 91 14.467 -12.584 -4.553 676 HG2 GLU 91 HG2 GLU 91 15.279 -12.118 -6.876 677 HG3 GLU 91 HG1 GLU 91 15.978 -10.624 -6.258 678 H LEU 92 HN LEU 92 12.769 -9.004 -4.001 679 HA LEU 92 HA LEU 92 11.159 -10.285 -2.015 680 HB2 LEU 92 HB2 LEU 92 12.484 -8.260 -1.558 681 HB3 LEU 92 HB1 LEU 92 11.481 -7.359 -2.677 682 HG LEU 92 HG LEU 92 9.523 -7.777 -1.202 683 HD11 LEU 92 HD11 LEU 92 9.899 -8.576 1.066 684 HD12 LEU 92 HD12 LEU 92 11.594 -8.882 0.688 685 HD13 LEU 92 HD13 LEU 92 10.330 -9.815 -0.114 686 HD21 LEU 92 HD21 LEU 92 10.852 -5.712 -1.079 687 HD22 LEU 92 HD22 LEU 92 11.861 -6.457 0.162 688 HD23 LEU 92 HD23 LEU 92 10.150 -6.159 0.476 689 H LEU 93 HN LEU 93 10.520 -8.234 -4.831 690 HA LEU 93 HA LEU 93 7.777 -7.917 -4.541 691 HB2 LEU 93 HB2 LEU 93 9.476 -8.063 -7.027 692 HB3 LEU 93 HB1 LEU 93 7.807 -7.533 -7.010 693 HG LEU 93 HG LEU 93 9.964 -6.177 -5.405 694 HD11 LEU 93 HD11 LEU 93 10.530 -6.062 -7.777 695 HD12 LEU 93 HD12 LEU 93 10.041 -4.490 -7.147 696 HD13 LEU 93 HD13 LEU 93 8.920 -5.432 -8.132 697 HD21 LEU 93 HD21 LEU 93 7.724 -5.770 -4.613 698 HD22 LEU 93 HD22 LEU 93 7.188 -5.356 -6.242 699 HD23 LEU 93 HD23 LEU 93 8.346 -4.323 -5.404 700 H ARG 94 HN ARG 94 9.602 -10.548 -6.020 701 HA ARG 94 HA ARG 94 7.405 -11.882 -7.156 702 HB2 ARG 94 HB2 ARG 94 8.826 -13.690 -7.570 703 HB3 ARG 94 HB1 ARG 94 9.854 -12.262 -7.663 704 HG2 ARG 94 HG2 ARG 94 10.567 -12.636 -5.384 705 HG3 ARG 94 HG1 ARG 94 9.542 -14.060 -5.315 706 HD2 ARG 94 HD2 ARG 94 10.855 -15.126 -7.059 707 HD3 ARG 94 HD1 ARG 94 11.839 -13.673 -7.229 708 HE ARG 94 HE ARG 94 11.942 -14.582 -4.562 709 HH11 ARG 94 HH11 ARG 94 13.098 -15.415 -7.759 710 HH12 ARG 94 HH12 ARG 94 14.495 -16.255 -7.175 711 HH21 ARG 94 HH21 ARG 94 13.780 -15.684 -3.785 712 HH22 ARG 94 HH22 ARG 94 14.883 -16.414 -4.907 713 H LYS 95 HN LYS 95 8.627 -11.780 -3.923 714 HA LYS 95 HA LYS 95 7.163 -14.067 -2.986 715 HB2 LYS 95 HB2 LYS 95 8.420 -11.757 -1.497 716 HB3 LYS 95 HB1 LYS 95 7.694 -13.157 -0.721 717 HG2 LYS 95 HG2 LYS 95 9.346 -14.604 -1.795 718 HG3 LYS 95 HG1 LYS 95 10.075 -13.191 -2.562 719 HD2 LYS 95 HD2 LYS 95 11.345 -13.795 -0.593 720 HD3 LYS 95 HD1 LYS 95 10.539 -12.250 -0.330 721 HE2 LYS 95 HE2 LYS 95 8.804 -13.354 0.967 722 HE3 LYS 95 HE1 LYS 95 9.543 -14.923 0.654 723 HZ1 LYS 95 HZ1 LYS 95 10.814 -12.694 2.147 724 HZ2 LYS 95 HZ2 LYS 95 11.495 -14.217 1.872 725 HZ3 LYS 95 HZ3 LYS 95 10.120 -14.069 2.844 726 H ILE 96 HN ILE 96 6.658 -10.635 -3.216 727 HA ILE 96 HA ILE 96 4.328 -10.495 -1.617 728 HB ILE 96 HB ILE 96 5.222 -8.640 -3.828 729 HG12 ILE 96 HG12 ILE 96 5.812 -8.540 -0.859 730 HG13 ILE 96 HG11 ILE 96 6.973 -8.957 -2.115 731 HG21 ILE 96 HG21 ILE 96 3.326 -8.290 -1.524 732 HG22 ILE 96 HG22 ILE 96 2.941 -8.252 -3.244 733 HG23 ILE 96 HG23 ILE 96 3.921 -6.972 -2.528 734 HD11 ILE 96 HD11 ILE 96 7.263 -6.666 -1.361 735 HD12 ILE 96 HD12 ILE 96 5.591 -6.301 -1.802 736 HD13 ILE 96 HD13 ILE 96 6.763 -6.717 -3.052 737 H ASP 97 HN ASP 97 4.846 -10.489 -5.137 738 HA ASP 97 HA ASP 97 3.500 -10.984 -6.900 739 HB2 ASP 97 HB2 ASP 97 3.598 -13.216 -5.682 740 HB3 ASP 97 HB1 ASP 97 2.015 -12.825 -5.020 741 H ALA 98 HN ALA 98 2.747 -8.747 -6.531 742 HA ALA 98 HA ALA 98 -0.139 -8.664 -6.580 743 HB1 ALA 98 HB1 ALA 98 1.393 -7.081 -4.510 744 HB2 ALA 98 HB2 ALA 98 0.306 -8.429 -4.179 745 HB3 ALA 98 HB3 ALA 98 -0.327 -6.928 -4.855 746 HA PRO 99 HA PRO 99 0.474 -5.498 -9.561 747 HB2 PRO 99 HB2 PRO 99 -1.317 -3.701 -8.020 748 HB3 PRO 99 HB1 PRO 99 -1.430 -4.223 -9.700 749 HG2 PRO 99 HG2 PRO 99 -3.059 -5.240 -7.877 750 HG3 PRO 99 HG1 PRO 99 -2.343 -6.277 -9.122 751 HD2 PRO 99 HD2 PRO 99 -1.567 -5.973 -6.252 752 HD3 PRO 99 HD1 PRO 99 -1.686 -7.447 -7.238 753 H VAL 100 HN VAL 100 1.860 -3.862 -9.969 754 HA VAL 100 HA VAL 100 2.944 -2.416 -7.646 755 HB VAL 100 HB VAL 100 4.442 -3.215 -10.149 756 HG11 VAL 100 HG11 VAL 100 5.309 -1.171 -9.184 757 HG12 VAL 100 HG12 VAL 100 6.435 -2.498 -8.901 758 HG13 VAL 100 HG13 VAL 100 5.395 -1.930 -7.595 759 HG21 VAL 100 HG21 VAL 100 3.911 -5.166 -8.783 760 HG22 VAL 100 HG22 VAL 100 4.602 -4.371 -7.368 761 HG23 VAL 100 HG23 VAL 100 5.638 -4.804 -8.728 762 H MET 101 HN MET 101 3.009 -0.278 -7.724 763 HA MET 101 HA MET 101 2.626 1.097 -10.309 764 HB2 MET 101 HB2 MET 101 1.707 1.931 -7.545 765 HB3 MET 101 HB1 MET 101 1.692 2.998 -8.940 766 HG2 MET 101 HG2 MET 101 0.234 0.380 -8.938 767 HG3 MET 101 HG1 MET 101 -0.483 1.849 -8.285 768 HE1 MET 101 HE1 MET 101 -0.921 4.125 -11.368 769 HE2 MET 101 HE2 MET 101 0.280 4.183 -10.079 770 HE3 MET 101 HE3 MET 101 -1.405 3.821 -9.702 771 H ALA 102 HN ALA 102 4.795 1.302 -10.735 772 HA ALA 102 HA ALA 102 6.774 1.903 -8.819 773 HB1 ALA 102 HB1 ALA 102 6.882 2.274 -11.808 774 HB2 ALA 102 HB2 ALA 102 7.242 0.778 -10.947 775 HB3 ALA 102 HB3 ALA 102 8.263 2.197 -10.714 776 H LYS 103 HN LYS 103 8.010 3.779 -8.520 777 HA LYS 103 HA LYS 103 6.523 6.258 -8.873 778 HB2 LYS 103 HB2 LYS 103 9.119 5.706 -7.414 779 HB3 LYS 103 HB1 LYS 103 8.273 7.242 -7.423 780 HG2 LYS 103 HG2 LYS 103 6.373 6.210 -6.288 781 HG3 LYS 103 HG1 LYS 103 7.218 4.663 -6.283 782 HD2 LYS 103 HD2 LYS 103 8.944 5.549 -4.859 783 HD3 LYS 103 HD1 LYS 103 8.267 7.174 -4.980 784 HE2 LYS 103 HE2 LYS 103 6.263 6.457 -3.817 785 HE3 LYS 103 HE1 LYS 103 6.861 4.799 -3.763 786 HZ1 LYS 103 HZ1 LYS 103 7.140 6.241 -1.689 787 HZ2 LYS 103 HZ2 LYS 103 8.399 7.005 -2.536 788 HZ3 LYS 103 HZ3 LYS 103 8.482 5.344 -2.210 789 HA PRO 104 HA PRO 104 7.034 8.522 -8.868 790 HB2 PRO 104 HB2 PRO 104 6.429 9.913 -11.364 791 HB3 PRO 104 HB1 PRO 104 7.158 10.544 -9.885 792 HG2 PRO 104 HG2 PRO 104 8.562 10.242 -12.173 793 HG3 PRO 104 HG1 PRO 104 9.298 10.052 -10.572 794 HD2 PRO 104 HD2 PRO 104 8.377 7.950 -12.495 795 HD3 PRO 104 HD1 PRO 104 9.846 7.998 -11.498 796 H ALA 105 HN ALA 105 4.884 8.408 -8.543 797 HA ALA 105 HA ALA 105 3.151 7.421 -10.682 798 HB1 ALA 105 HB1 ALA 105 3.194 6.231 -7.908 799 HB2 ALA 105 HB2 ALA 105 3.821 5.451 -9.367 800 HB3 ALA 105 HB3 ALA 105 2.094 5.799 -9.226 801 H ASP 106 HN ASP 106 1.318 8.496 -10.764 802 HA ASP 106 HA ASP 106 0.776 10.658 -9.016 803 HB2 ASP 106 HB2 ASP 106 0.042 10.532 -11.412 804 HB3 ASP 106 HB1 ASP 106 -1.135 9.311 -10.942 805 H THR 107 HN THR 107 -0.256 10.706 -7.175 806 HA THR 107 HA THR 107 -0.731 8.317 -5.799 807 HB THR 107 HB THR 107 -1.676 9.865 -4.024 808 HG1 THR 107 HG1 THR 107 -1.608 12.045 -4.425 809 HG21 THR 107 HG21 THR 107 0.646 9.168 -4.030 810 HG22 THR 107 HG22 THR 107 0.557 10.885 -3.600 811 HG23 THR 107 HG23 THR 107 1.041 10.402 -5.231 812 H SER 108 HN SER 108 -2.889 10.398 -7.595 813 HA SER 108 HA SER 108 -5.300 9.303 -6.555 814 HB2 SER 108 HB2 SER 108 -5.184 11.480 -7.765 815 HB3 SER 108 HB1 SER 108 -4.838 10.602 -9.253 816 HG SER 108 HG SER 108 -7.160 10.209 -7.666 817 H ASP 109 HN ASP 109 -3.194 8.528 -9.292 818 HA ASP 109 HA ASP 109 -4.806 6.458 -10.375 819 HB2 ASP 109 HB2 ASP 109 -1.906 7.180 -10.617 820 HB3 ASP 109 HB1 ASP 109 -2.479 5.643 -11.250 821 H VAL 110 HN VAL 110 -2.161 6.520 -8.069 822 HA VAL 110 HA VAL 110 -1.971 3.764 -7.608 823 HB VAL 110 HB VAL 110 -1.463 5.944 -5.567 824 HG11 VAL 110 HG11 VAL 110 0.086 4.375 -4.595 825 HG12 VAL 110 HG12 VAL 110 -0.216 3.216 -5.891 826 HG13 VAL 110 HG13 VAL 110 -1.497 3.608 -4.742 827 HG21 VAL 110 HG21 VAL 110 -0.321 6.452 -7.667 828 HG22 VAL 110 HG22 VAL 110 0.404 4.841 -7.665 829 HG23 VAL 110 HG23 VAL 110 0.824 6.000 -6.402 830 H ALA 111 HN ALA 111 -3.923 6.270 -6.045 831 HA ALA 111 HA ALA 111 -5.115 4.629 -4.090 832 HB1 ALA 111 HB1 ALA 111 -5.113 7.080 -3.984 833 HB2 ALA 111 HB2 ALA 111 -6.739 6.415 -3.829 834 HB3 ALA 111 HB3 ALA 111 -6.222 7.134 -5.355 835 H LYS 112 HN LYS 112 -6.289 5.697 -7.272 836 HA LYS 112 HA LYS 112 -8.758 4.423 -7.219 837 HB2 LYS 112 HB2 LYS 112 -6.944 5.101 -9.529 838 HB3 LYS 112 HB1 LYS 112 -8.550 4.423 -9.748 839 HG2 LYS 112 HG2 LYS 112 -9.522 6.351 -8.606 840 HG3 LYS 112 HG1 LYS 112 -7.909 7.029 -8.379 841 HD2 LYS 112 HD2 LYS 112 -9.028 8.059 -10.287 842 HD3 LYS 112 HD1 LYS 112 -7.613 7.141 -10.805 843 HE2 LYS 112 HE2 LYS 112 -9.105 5.257 -11.398 844 HE3 LYS 112 HE1 LYS 112 -10.492 6.253 -10.968 845 HZ1 LYS 112 HZ1 LYS 112 -8.520 6.919 -13.084 846 HZ2 LYS 112 HZ2 LYS 112 -9.923 7.788 -12.714 847 HZ3 LYS 112 HZ3 LYS 112 -10.036 6.230 -13.360 848 H ARG 113 HN ARG 113 -5.706 3.208 -8.630 849 HA ARG 113 HA ARG 113 -6.776 0.799 -9.571 850 HB2 ARG 113 HB2 ARG 113 -3.938 1.372 -8.762 851 HB3 ARG 113 HB1 ARG 113 -4.473 0.012 -9.742 852 HG2 ARG 113 HG2 ARG 113 -4.626 2.923 -10.454 853 HG3 ARG 113 HG1 ARG 113 -3.570 1.707 -11.157 854 HD2 ARG 113 HD2 ARG 113 -5.518 0.531 -12.050 855 HD3 ARG 113 HD1 ARG 113 -6.573 1.751 -11.340 856 HE ARG 113 HE ARG 113 -4.624 2.942 -13.027 857 HH11 ARG 113 HH11 ARG 113 -7.605 1.110 -13.147 858 HH12 ARG 113 HH12 ARG 113 -8.123 1.823 -14.642 859 HH21 ARG 113 HH21 ARG 113 -5.289 3.848 -15.011 860 HH22 ARG 113 HH22 ARG 113 -6.806 3.368 -15.704 861 H ALA 114 HN ALA 114 -5.404 1.661 -6.456 862 HA ALA 114 HA ALA 114 -5.259 -0.966 -5.398 863 HB1 ALA 114 HB1 ALA 114 -3.991 0.873 -4.422 864 HB2 ALA 114 HB2 ALA 114 -5.055 0.147 -3.213 865 HB3 ALA 114 HB3 ALA 114 -5.490 1.681 -3.968 866 H LEU 115 HN LEU 115 -7.641 1.641 -5.006 867 HA LEU 115 HA LEU 115 -9.426 0.194 -3.397 868 HB2 LEU 115 HB2 LEU 115 -9.816 2.578 -5.174 869 HB3 LEU 115 HB1 LEU 115 -11.071 1.945 -4.125 870 HG LEU 115 HG LEU 115 -8.394 3.006 -3.225 871 HD11 LEU 115 HD11 LEU 115 -9.742 4.802 -2.230 872 HD12 LEU 115 HD12 LEU 115 -11.168 4.141 -3.033 873 HD13 LEU 115 HD13 LEU 115 -9.829 4.774 -3.992 874 HD21 LEU 115 HD21 LEU 115 -9.301 2.776 -0.968 875 HD22 LEU 115 HD22 LEU 115 -9.199 1.216 -1.781 876 HD23 LEU 115 HD23 LEU 115 -10.755 2.027 -1.626 877 H GLU 116 HN GLU 116 -8.958 0.233 -6.842 878 HA GLU 116 HA GLU 116 -11.414 -0.815 -7.684 879 HB2 GLU 116 HB2 GLU 116 -8.640 -1.165 -8.811 880 HB3 GLU 116 HB1 GLU 116 -10.081 -1.775 -9.607 881 HG2 GLU 116 HG2 GLU 116 -9.508 1.108 -8.967 882 HG3 GLU 116 HG1 GLU 116 -9.354 0.348 -10.548 883 H MET 117 HN MET 117 -8.747 -2.320 -6.046 884 HA MET 117 HA MET 117 -9.638 -5.007 -6.647 885 HB2 MET 117 HB2 MET 117 -7.470 -4.015 -4.790 886 HB3 MET 117 HB1 MET 117 -7.766 -5.702 -5.192 887 HG2 MET 117 HG2 MET 117 -7.392 -5.056 -7.599 888 HG3 MET 117 HG1 MET 117 -6.813 -3.508 -7.000 889 HE1 MET 117 HE1 MET 117 -4.772 -3.206 -5.444 890 HE2 MET 117 HE2 MET 117 -3.653 -4.484 -4.969 891 HE3 MET 117 HE3 MET 117 -5.277 -4.432 -4.282 892 H CYS 118 HN CYS 118 -10.723 -2.681 -4.621 893 HA CYS 118 HA CYS 118 -11.898 -4.681 -2.832 894 HB2 CYS 118 HB2 CYS 118 -10.063 -3.579 -1.608 895 HB3 CYS 118 HB1 CYS 118 -10.785 -2.009 -1.943 896 HG CYS 118 HG CYS 118 -12.581 -4.354 -0.254 897 H GLY 119 HN GLY 119 -13.576 -4.362 -4.508 898 HA2 GLY 119 HA2 GLY 119 -15.851 -3.702 -4.499 899 HA3 GLY 119 HA1 GLY 119 -15.401 -2.258 -3.604 900 H GLY 120 HN GLY 120 -13.699 -3.349 -6.460 901 HA2 GLY 120 HA2 GLY 120 -14.642 -0.918 -7.841 902 HA3 GLY 120 HA1 GLY 120 -13.100 -1.709 -8.133 903 H ASP 121 HN ASP 121 -16.305 -3.124 -7.852 904 HA ASP 121 HA ASP 121 -17.664 -4.233 -9.285 905 HB2 ASP 121 HB2 ASP 121 -17.319 -2.388 -10.888 906 HB3 ASP 121 HB1 ASP 121 -15.875 -3.192 -11.497 907 H LYS 122 HN LYS 122 -17.765 -6.241 -10.436 908 HA LYS 122 HA LYS 122 -17.147 -8.387 -10.849 909 HB2 LYS 122 HB2 LYS 122 -15.576 -7.233 -12.438 910 HB3 LYS 122 HB1 LYS 122 -14.342 -7.335 -11.191 911 HG2 LYS 122 HG2 LYS 122 -14.510 -9.773 -11.228 912 HG3 LYS 122 HG1 LYS 122 -15.737 -9.664 -12.491 913 HD2 LYS 122 HD2 LYS 122 -14.117 -8.531 -13.941 914 HD3 LYS 122 HD1 LYS 122 -12.891 -8.694 -12.685 915 HE2 LYS 122 HE2 LYS 122 -12.592 -10.438 -14.328 916 HE3 LYS 122 HE1 LYS 122 -13.137 -11.149 -12.810 917 HZ1 LYS 122 HZ1 LYS 122 -14.862 -10.570 -15.159 918 HZ2 LYS 122 HZ2 LYS 122 -15.374 -11.267 -13.708 919 HZ3 LYS 122 HZ3 LYS 122 -14.295 -12.097 -14.706 920 H GLU 123 HN GLU 123 -17.625 -8.290 -8.412 921 HA GLU 123 HA GLU 123 -15.391 -8.661 -6.647 922 HB2 GLU 123 HB2 GLU 123 -17.509 -7.652 -5.879 923 HB3 GLU 123 HB1 GLU 123 -18.339 -9.170 -6.199 924 HG2 GLU 123 HG2 GLU 123 -16.841 -10.258 -4.536 925 HG3 GLU 123 HG1 GLU 123 -16.203 -8.661 -4.145 926 HA PRO 124 HA PRO 124 -14.985 -12.995 -7.665 927 HB2 PRO 124 HB2 PRO 124 -13.028 -13.560 -5.874 928 HB3 PRO 124 HB1 PRO 124 -12.721 -12.712 -7.393 929 HG2 PRO 124 HG2 PRO 124 -13.052 -11.600 -4.638 930 HG3 PRO 124 HG1 PRO 124 -11.880 -11.154 -5.889 931 HD2 PRO 124 HD2 PRO 124 -14.116 -9.704 -5.386 932 HD3 PRO 124 HD1 PRO 124 -13.389 -9.818 -7.001 933 H ALA 125 HN ALA 125 -15.305 -15.033 -6.619 934 HA ALA 125 HA ALA 125 -17.124 -14.812 -4.348 935 HB1 ALA 125 HB1 ALA 125 -16.588 -17.132 -6.197 936 HB2 ALA 125 HB2 ALA 125 -17.924 -15.990 -6.329 937 HB3 ALA 125 HB3 ALA 125 -17.826 -17.074 -4.943 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 -19.882 3.973 -6.608 2 H2 GLY 1 HT2 GLY 1 -19.244 4.030 -5.045 3 H3 GLY 1 HT3 GLY 1 -20.784 3.386 -5.304 4 HA2 GLY 1 HA1 GLY 1 -19.840 1.574 -6.590 5 HA3 GLY 1 HA2 GLY 1 -18.239 2.238 -6.299 6 H ALA 2 HN ALA 2 -17.606 2.471 -4.000 7 HA ALA 2 HA ALA 2 -17.962 0.038 -2.601 8 HB1 ALA 2 HB1 ALA 2 -15.909 1.362 -2.462 9 HB2 ALA 2 HB2 ALA 2 -16.595 1.082 -0.862 10 HB3 ALA 2 HB3 ALA 2 -16.793 2.651 -1.643 11 H MET 3 HN MET 3 -19.175 -0.481 -0.858 12 HA MET 3 HA MET 3 -21.641 0.856 -0.505 13 HB2 MET 3 HB2 MET 3 -21.340 -1.581 -0.220 14 HB3 MET 3 HB1 MET 3 -20.370 -1.279 1.214 15 HG2 MET 3 HG2 MET 3 -22.352 -0.176 2.237 16 HG3 MET 3 HG1 MET 3 -23.293 -0.689 0.837 17 HE1 MET 3 HE1 MET 3 -25.056 -2.006 2.275 18 HE2 MET 3 HE2 MET 3 -24.235 -1.403 3.713 19 HE3 MET 3 HE3 MET 3 -24.618 -3.118 3.572 20 H GLY 4 HN GLY 4 -18.614 0.987 1.123 21 HA2 GLY 4 HA2 GLY 4 -19.603 3.245 2.703 22 HA3 GLY 4 HA1 GLY 4 -18.817 1.924 3.562 23 H MET 5 HN MET 5 -16.982 2.934 4.225 24 HA MET 5 HA MET 5 -15.245 3.941 2.076 25 HB2 MET 5 HB2 MET 5 -15.279 4.669 4.999 26 HB3 MET 5 HB1 MET 5 -14.027 5.164 3.865 27 HG2 MET 5 HG2 MET 5 -15.530 6.483 2.622 28 HG3 MET 5 HG1 MET 5 -16.922 5.787 3.435 29 HE1 MET 5 HE1 MET 5 -13.505 7.143 4.909 30 HE2 MET 5 HE2 MET 5 -13.977 8.791 5.320 31 HE3 MET 5 HE3 MET 5 -13.944 8.279 3.634 32 HA PRO 6 HA PRO 6 -12.928 0.233 2.958 33 HB2 PRO 6 HB2 PRO 6 -10.991 1.455 1.110 34 HB3 PRO 6 HB1 PRO 6 -11.834 -0.089 0.986 35 HG2 PRO 6 HG2 PRO 6 -12.487 1.943 -0.595 36 HG3 PRO 6 HG1 PRO 6 -13.734 0.870 0.059 37 HD2 PRO 6 HD2 PRO 6 -12.895 3.593 1.006 38 HD3 PRO 6 HD1 PRO 6 -14.532 2.953 0.763 39 H LYS 7 HN LYS 7 -11.395 -0.188 4.443 40 HA LYS 7 HA LYS 7 -9.900 2.028 5.573 41 HB2 LYS 7 HB2 LYS 7 -10.939 0.366 7.063 42 HB3 LYS 7 HB1 LYS 7 -9.969 -0.903 6.332 43 HG2 LYS 7 HG2 LYS 7 -8.989 -0.334 8.416 44 HG3 LYS 7 HG1 LYS 7 -7.934 0.266 7.138 45 HD2 LYS 7 HD2 LYS 7 -7.967 2.060 8.588 46 HD3 LYS 7 HD1 LYS 7 -9.259 2.492 7.472 47 HE2 LYS 7 HE2 LYS 7 -9.904 0.938 9.940 48 HE3 LYS 7 HE1 LYS 7 -9.611 2.669 10.063 49 HZ1 LYS 7 HZ1 LYS 7 -11.443 3.147 8.731 50 HZ2 LYS 7 HZ2 LYS 7 -11.989 1.901 9.739 51 HZ3 LYS 7 HZ3 LYS 7 -11.566 1.565 8.141 52 H VAL 8 HN VAL 8 -8.159 2.647 4.538 53 HA VAL 8 HA VAL 8 -6.593 0.716 2.982 54 HB VAL 8 HB VAL 8 -6.487 3.739 2.949 55 HG11 VAL 8 HG11 VAL 8 -5.326 1.722 1.030 56 HG12 VAL 8 HG12 VAL 8 -4.416 2.684 2.196 57 HG13 VAL 8 HG13 VAL 8 -5.255 3.478 0.864 58 HG21 VAL 8 HG21 VAL 8 -7.857 1.872 1.020 59 HG22 VAL 8 HG22 VAL 8 -7.754 3.628 0.879 60 HG23 VAL 8 HG23 VAL 8 -8.665 2.901 2.203 61 H LEU 9 HN LEU 9 -4.499 0.288 3.437 62 HA LEU 9 HA LEU 9 -3.256 1.758 5.656 63 HB2 LEU 9 HB2 LEU 9 -3.528 -0.593 6.126 64 HB3 LEU 9 HB1 LEU 9 -2.769 -1.028 4.610 65 HG LEU 9 HG LEU 9 -0.631 -0.166 5.402 66 HD11 LEU 9 HD11 LEU 9 -1.517 1.629 6.826 67 HD12 LEU 9 HD12 LEU 9 -0.366 0.611 7.693 68 HD13 LEU 9 HD13 LEU 9 -2.097 0.422 7.973 69 HD21 LEU 9 HD21 LEU 9 -1.995 -2.045 7.318 70 HD22 LEU 9 HD22 LEU 9 -0.254 -1.795 7.212 71 HD23 LEU 9 HD23 LEU 9 -1.130 -2.480 5.843 72 H VAL 10 HN VAL 10 -1.798 3.213 5.014 73 HA VAL 10 HA VAL 10 -0.449 2.807 2.445 74 HB VAL 10 HB VAL 10 -0.861 5.283 4.114 75 HG11 VAL 10 HG11 VAL 10 1.471 5.308 3.345 76 HG12 VAL 10 HG12 VAL 10 0.508 6.521 2.502 77 HG13 VAL 10 HG13 VAL 10 0.929 5.011 1.693 78 HG21 VAL 10 HG21 VAL 10 -1.528 4.572 1.261 79 HG22 VAL 10 HG22 VAL 10 -1.888 6.111 2.047 80 HG23 VAL 10 HG23 VAL 10 -2.664 4.628 2.608 81 H LEU 11 HN LEU 11 1.504 2.098 2.386 82 HA LEU 11 HA LEU 11 3.249 2.370 4.726 83 HB2 LEU 11 HB2 LEU 11 2.846 0.310 2.726 84 HB3 LEU 11 HB1 LEU 11 4.533 0.787 2.812 85 HG LEU 11 HG LEU 11 4.199 -1.111 4.248 86 HD11 LEU 11 HD11 LEU 11 5.708 0.660 5.071 87 HD12 LEU 11 HD12 LEU 11 4.924 -0.211 6.390 88 HD13 LEU 11 HD13 LEU 11 4.362 1.401 5.938 89 HD21 LEU 11 HD21 LEU 11 1.757 -0.800 4.502 90 HD22 LEU 11 HD22 LEU 11 2.058 0.534 5.617 91 HD23 LEU 11 HD23 LEU 11 2.565 -1.100 6.037 92 H GLU 12 HN GLU 12 4.355 4.193 4.611 93 HA GLU 12 HA GLU 12 6.173 4.711 2.494 94 HB2 GLU 12 HB2 GLU 12 4.220 5.470 1.279 95 HB3 GLU 12 HB1 GLU 12 3.694 6.441 2.643 96 HG2 GLU 12 HG2 GLU 12 4.643 7.791 0.852 97 HG3 GLU 12 HG1 GLU 12 5.560 7.941 2.345 98 H ASP 13 HN ASP 13 7.834 5.667 3.406 99 HA ASP 13 HA ASP 13 7.540 6.777 6.076 100 HB2 ASP 13 HB2 ASP 13 9.355 5.160 5.583 101 HB3 ASP 13 HB1 ASP 13 10.038 6.300 4.435 102 H GLU 14 HN GLU 14 7.889 7.821 2.827 103 HA GLU 14 HA GLU 14 8.795 10.481 3.486 104 HB2 GLU 14 HB2 GLU 14 7.706 9.314 0.927 105 HB3 GLU 14 HB1 GLU 14 8.278 10.967 1.099 106 HG2 GLU 14 HG2 GLU 14 9.908 8.467 1.452 107 HG3 GLU 14 HG1 GLU 14 9.980 9.597 0.109 108 HA PRO 15 HA PRO 15 4.674 11.317 5.033 109 HB2 PRO 15 HB2 PRO 15 5.751 14.040 5.283 110 HB3 PRO 15 HB1 PRO 15 4.988 13.017 6.495 111 HG2 PRO 15 HG2 PRO 15 7.619 13.437 6.536 112 HG3 PRO 15 HG1 PRO 15 6.940 11.846 6.929 113 HD2 PRO 15 HD2 PRO 15 8.247 12.776 4.405 114 HD3 PRO 15 HD1 PRO 15 8.395 11.221 5.244 115 H LEU 16 HN LEU 16 6.281 13.238 2.562 116 HA LEU 16 HA LEU 16 3.973 14.742 1.844 117 HB2 LEU 16 HB2 LEU 16 6.523 15.084 1.300 118 HB3 LEU 16 HB1 LEU 16 6.133 14.115 -0.103 119 HG LEU 16 HG LEU 16 4.778 16.716 0.605 120 HD11 LEU 16 HD11 LEU 16 7.119 17.062 0.041 121 HD12 LEU 16 HD12 LEU 16 6.064 17.667 -1.235 122 HD13 LEU 16 HD13 LEU 16 6.908 16.133 -1.443 123 HD21 LEU 16 HD21 LEU 16 3.362 15.230 -0.703 124 HD22 LEU 16 HD22 LEU 16 4.653 15.032 -1.891 125 HD23 LEU 16 HD23 LEU 16 3.894 16.609 -1.669 126 H ILE 17 HN ILE 17 5.553 11.913 0.385 127 HA ILE 17 HA ILE 17 3.602 11.409 -1.585 128 HB ILE 17 HB ILE 17 5.581 9.566 -0.225 129 HG12 ILE 17 HG12 ILE 17 6.668 9.657 -2.510 130 HG13 ILE 17 HG11 ILE 17 5.562 10.965 -2.894 131 HG21 ILE 17 HG21 ILE 17 3.844 8.959 -2.616 132 HG22 ILE 17 HG22 ILE 17 3.706 8.239 -1.008 133 HG23 ILE 17 HG23 ILE 17 5.139 7.937 -1.988 134 HD11 ILE 17 HD11 ILE 17 7.624 10.980 -0.715 135 HD12 ILE 17 HD12 ILE 17 6.521 12.300 -1.098 136 HD13 ILE 17 HD13 ILE 17 7.742 11.803 -2.267 137 H ALA 18 HN ALA 18 4.077 10.185 1.689 138 HA ALA 18 HA ALA 18 1.923 8.403 1.804 139 HB1 ALA 18 HB1 ALA 18 3.049 10.068 4.053 140 HB2 ALA 18 HB2 ALA 18 3.697 8.525 3.498 141 HB3 ALA 18 HB3 ALA 18 2.088 8.598 4.219 142 H MET 19 HN MET 19 2.078 11.821 2.767 143 HA MET 19 HA MET 19 -0.585 12.195 3.453 144 HB2 MET 19 HB2 MET 19 1.330 13.754 3.850 145 HB3 MET 19 HB1 MET 19 1.250 14.189 2.147 146 HG2 MET 19 HG2 MET 19 -1.054 14.952 2.479 147 HG3 MET 19 HG1 MET 19 -0.901 14.586 4.194 148 HE1 MET 19 HE1 MET 19 1.978 16.023 1.949 149 HE2 MET 19 HE2 MET 19 1.667 17.757 2.050 150 HE3 MET 19 HE3 MET 19 0.518 16.699 1.230 151 H ASN 20 HN ASN 20 1.040 12.460 0.335 152 HA ASN 20 HA ASN 20 -1.129 13.489 -1.120 153 HB2 ASN 20 HB2 ASN 20 1.497 12.234 -1.707 154 HB3 ASN 20 HB1 ASN 20 0.326 12.245 -2.996 155 HD21 ASN 20 HD21 ASN 20 0.402 14.763 -0.635 156 HD22 ASN 20 HD22 ASN 20 1.018 15.982 -1.687 157 H LEU 21 HN LEU 21 0.094 10.159 -0.776 158 HA LEU 21 HA LEU 21 -1.937 8.890 -2.205 159 HB2 LEU 21 HB2 LEU 21 -0.137 8.039 0.035 160 HB3 LEU 21 HB1 LEU 21 -1.356 6.956 -0.595 161 HG LEU 21 HG LEU 21 0.731 8.230 -2.343 162 HD11 LEU 21 HD11 LEU 21 1.935 6.107 -2.222 163 HD12 LEU 21 HD12 LEU 21 0.809 5.538 -0.989 164 HD13 LEU 21 HD13 LEU 21 1.869 6.907 -0.653 165 HD21 LEU 21 HD21 LEU 21 -1.032 5.814 -2.688 166 HD22 LEU 21 HD22 LEU 21 0.107 6.459 -3.873 167 HD23 LEU 21 HD23 LEU 21 -1.312 7.399 -3.408 168 H GLN 22 HN GLN 22 -1.685 9.711 1.220 169 HA GLN 22 HA GLN 22 -4.013 8.541 2.134 170 HB2 GLN 22 HB2 GLN 22 -2.254 9.612 3.542 171 HB3 GLN 22 HB1 GLN 22 -2.892 11.183 3.062 172 HG2 GLN 22 HG2 GLN 22 -5.070 10.544 4.024 173 HG3 GLN 22 HG1 GLN 22 -4.341 9.044 4.583 174 HE21 GLN 22 HE21 GLN 22 -5.582 11.142 6.094 175 HE22 GLN 22 HE22 GLN 22 -4.388 11.686 7.220 176 H TYR 23 HN TYR 23 -3.567 11.860 0.883 177 HA TYR 23 HA TYR 23 -6.314 12.510 1.175 178 HB2 TYR 23 HB2 TYR 23 -4.060 13.790 -0.348 179 HB3 TYR 23 HB1 TYR 23 -5.698 14.422 -0.391 180 HD1 TYR 23 HD2 TYR 23 -6.504 13.937 2.452 181 HD2 TYR 23 HD1 TYR 23 -2.895 15.473 0.803 182 HE1 TYR 23 HE2 TYR 23 -6.062 15.134 4.550 183 HE2 TYR 23 HE1 TYR 23 -2.446 16.673 2.900 184 HH TYR 23 HH TYR 23 -3.554 17.487 4.834 185 H ALA 24 HN ALA 24 -4.456 10.985 -1.312 186 HA ALA 24 HA ALA 24 -6.329 11.275 -3.420 187 HB1 ALA 24 HB1 ALA 24 -4.257 9.120 -2.987 188 HB2 ALA 24 HB2 ALA 24 -4.000 10.652 -3.823 189 HB3 ALA 24 HB3 ALA 24 -5.104 9.454 -4.498 190 H PHE 25 HN PHE 25 -5.747 8.716 -1.031 191 HA PHE 25 HA PHE 25 -7.854 7.037 -1.899 192 HB2 PHE 25 HB2 PHE 25 -6.222 7.219 0.613 193 HB3 PHE 25 HB1 PHE 25 -7.601 6.131 0.531 194 HD1 PHE 25 HD2 PHE 25 -7.643 4.382 -1.268 195 HD2 PHE 25 HD1 PHE 25 -4.143 6.601 -0.310 196 HE1 PHE 25 HE2 PHE 25 -6.266 2.664 -2.353 197 HE2 PHE 25 HE1 PHE 25 -2.750 4.875 -1.407 198 HZ PHE 25 HZ PHE 25 -3.817 2.910 -2.425 199 H GLU 26 HN GLU 26 -7.644 9.505 0.651 200 HA GLU 26 HA GLU 26 -10.308 9.140 1.546 201 HB2 GLU 26 HB2 GLU 26 -8.420 11.472 1.839 202 HB3 GLU 26 HB1 GLU 26 -10.002 11.403 2.603 203 HG2 GLU 26 HG2 GLU 26 -9.195 9.185 3.608 204 HG3 GLU 26 HG1 GLU 26 -7.583 9.724 3.137 205 H ASP 27 HN ASP 27 -8.899 10.988 -1.047 206 HA ASP 27 HA ASP 27 -11.159 12.615 -1.609 207 HB2 ASP 27 HB2 ASP 27 -8.880 13.089 -2.457 208 HB3 ASP 27 HB1 ASP 27 -8.997 11.671 -3.483 209 H GLU 28 HN GLU 28 -10.240 9.355 -2.380 210 HA GLU 28 HA GLU 28 -12.439 8.968 -4.219 211 HB2 GLU 28 HB2 GLU 28 -10.358 7.147 -3.040 212 HB3 GLU 28 HB1 GLU 28 -11.705 6.523 -3.983 213 HG2 GLU 28 HG2 GLU 28 -9.706 8.543 -4.963 214 HG3 GLU 28 HG1 GLU 28 -9.655 6.814 -5.302 215 H GLY 29 HN GLY 29 -12.358 9.401 -1.013 216 HA2 GLY 29 HA2 GLY 29 -14.104 9.167 0.493 217 HA3 GLY 29 HA1 GLY 29 -14.923 8.130 -0.664 218 H ALA 30 HN ALA 30 -11.717 7.828 0.831 219 HA ALA 30 HA ALA 30 -12.689 5.403 2.191 220 HB1 ALA 30 HB1 ALA 30 -11.336 4.799 0.216 221 HB2 ALA 30 HB2 ALA 30 -10.565 4.304 1.724 222 HB3 ALA 30 HB3 ALA 30 -9.988 5.734 0.866 223 H GLU 31 HN GLU 31 -10.881 4.719 3.864 224 HA GLU 31 HA GLU 31 -9.995 7.155 5.266 225 HB2 GLU 31 HB2 GLU 31 -11.903 6.113 6.406 226 HB3 GLU 31 HB1 GLU 31 -11.033 4.589 6.475 227 HG2 GLU 31 HG2 GLU 31 -9.461 5.447 8.012 228 HG3 GLU 31 HG1 GLU 31 -10.021 7.102 7.763 229 H VAL 32 HN VAL 32 -7.919 7.140 6.070 230 HA VAL 32 HA VAL 32 -6.317 4.884 5.054 231 HB VAL 32 HB VAL 32 -5.453 7.759 5.239 232 HG11 VAL 32 HG11 VAL 32 -3.640 7.045 3.747 233 HG12 VAL 32 HG12 VAL 32 -4.237 5.389 3.835 234 HG13 VAL 32 HG13 VAL 32 -3.617 6.179 5.283 235 HG21 VAL 32 HG21 VAL 32 -6.379 6.272 2.785 236 HG22 VAL 32 HG22 VAL 32 -5.777 7.932 2.848 237 HG23 VAL 32 HG23 VAL 32 -7.297 7.515 3.637 238 H VAL 33 HN VAL 33 -4.956 3.912 6.407 239 HA VAL 33 HA VAL 33 -4.078 5.334 8.832 240 HB VAL 33 HB VAL 33 -3.556 2.438 8.257 241 HG11 VAL 33 HG11 VAL 33 -2.221 3.548 9.981 242 HG12 VAL 33 HG12 VAL 33 -3.255 2.290 10.660 243 HG13 VAL 33 HG13 VAL 33 -3.701 3.987 10.835 244 HG21 VAL 33 HG21 VAL 33 -5.975 2.715 8.166 245 HG22 VAL 33 HG22 VAL 33 -5.948 3.527 9.733 246 HG23 VAL 33 HG23 VAL 33 -5.486 1.826 9.609 247 H VAL 34 HN VAL 34 -2.048 6.137 8.767 248 HA VAL 34 HA VAL 34 -0.389 5.313 6.492 249 HB VAL 34 HB VAL 34 -0.122 7.789 8.206 250 HG11 VAL 34 HG11 VAL 34 1.359 8.563 6.391 251 HG12 VAL 34 HG12 VAL 34 1.231 6.973 5.637 252 HG13 VAL 34 HG13 VAL 34 1.989 7.139 7.220 253 HG21 VAL 34 HG21 VAL 34 -2.191 7.825 6.927 254 HG22 VAL 34 HG22 VAL 34 -1.305 7.439 5.452 255 HG23 VAL 34 HG23 VAL 34 -1.037 8.981 6.263 256 H ALA 35 HN ALA 35 1.354 4.139 6.806 257 HA ALA 35 HA ALA 35 2.623 4.152 9.458 258 HB1 ALA 35 HB1 ALA 35 2.256 1.676 7.782 259 HB2 ALA 35 HB2 ALA 35 1.188 2.131 9.112 260 HB3 ALA 35 HB3 ALA 35 2.890 1.786 9.429 261 H ALA 36 HN ALA 36 4.804 4.149 9.465 262 HA ALA 36 HA ALA 36 6.120 4.336 6.849 263 HB1 ALA 36 HB1 ALA 36 6.353 6.257 8.361 264 HB2 ALA 36 HB2 ALA 36 7.908 5.503 8.009 265 HB3 ALA 36 HB3 ALA 36 7.114 5.209 9.560 266 H THR 37 HN THR 37 5.706 2.157 9.390 267 HA THR 37 HA THR 37 8.142 0.714 8.587 268 HB THR 37 HB THR 37 8.453 -0.089 10.882 269 HG1 THR 37 HG1 THR 37 7.096 1.513 12.381 270 HG21 THR 37 HG21 THR 37 9.222 1.990 11.913 271 HG22 THR 37 HG22 THR 37 8.297 2.920 10.735 272 HG23 THR 37 HG23 THR 37 9.656 1.926 10.206 273 H CYS 38 HN CYS 38 8.054 -1.624 9.227 274 HA CYS 38 HA CYS 38 5.714 -2.938 8.433 275 HB2 CYS 38 HB2 CYS 38 6.768 -4.950 9.464 276 HB3 CYS 38 HB1 CYS 38 7.851 -4.061 8.416 277 HG CYS 38 HG CYS 38 9.702 -3.572 10.137 278 H GLU 39 HN GLU 39 7.076 -2.337 11.602 279 HA GLU 39 HA GLU 39 5.195 -3.511 13.231 280 HB2 GLU 39 HB2 GLU 39 6.765 -0.991 13.703 281 HB3 GLU 39 HB1 GLU 39 5.890 -1.854 14.955 282 HG2 GLU 39 HG2 GLU 39 7.295 -3.823 14.560 283 HG3 GLU 39 HG1 GLU 39 8.186 -2.922 13.335 284 H GLN 40 HN GLN 40 5.174 -0.128 12.083 285 HA GLN 40 HA GLN 40 2.764 0.612 13.280 286 HB2 GLN 40 HB2 GLN 40 4.207 1.569 10.831 287 HB3 GLN 40 HB1 GLN 40 2.717 2.310 11.367 288 HG2 GLN 40 HG2 GLN 40 3.754 2.868 13.489 289 HG3 GLN 40 HG1 GLN 40 5.249 2.111 12.952 290 HE21 GLN 40 HE21 GLN 40 6.427 4.001 13.151 291 HE22 GLN 40 HE22 GLN 40 6.233 5.338 12.073 292 H ALA 41 HN ALA 41 3.428 -0.997 10.251 293 HA ALA 41 HA ALA 41 0.789 -0.829 9.204 294 HB1 ALA 41 HB1 ALA 41 2.914 -2.836 8.514 295 HB2 ALA 41 HB2 ALA 41 2.881 -1.188 7.892 296 HB3 ALA 41 HB3 ALA 41 1.569 -2.302 7.507 297 H LEU 42 HN LEU 42 2.633 -3.425 10.769 298 HA LEU 42 HA LEU 42 0.583 -5.342 10.748 299 HB2 LEU 42 HB2 LEU 42 2.872 -5.068 12.696 300 HB3 LEU 42 HB1 LEU 42 1.952 -6.520 12.371 301 HG LEU 42 HG LEU 42 3.748 -5.115 10.395 302 HD11 LEU 42 HD11 LEU 42 5.218 -7.029 10.646 303 HD12 LEU 42 HD12 LEU 42 4.140 -7.716 11.862 304 HD13 LEU 42 HD13 LEU 42 4.991 -6.207 12.190 305 HD21 LEU 42 HD21 LEU 42 3.393 -7.123 9.008 306 HD22 LEU 42 HD22 LEU 42 1.915 -6.197 9.258 307 HD23 LEU 42 HD23 LEU 42 2.186 -7.686 10.163 308 H LYS 43 HN LYS 43 1.367 -2.716 12.918 309 HA LYS 43 HA LYS 43 -0.407 -3.367 15.006 310 HB2 LYS 43 HB2 LYS 43 1.376 -1.571 15.023 311 HB3 LYS 43 HB1 LYS 43 0.302 -0.595 14.039 312 HG2 LYS 43 HG2 LYS 43 -0.558 -1.656 16.707 313 HG3 LYS 43 HG1 LYS 43 0.364 -0.161 16.556 314 HD2 LYS 43 HD2 LYS 43 -1.379 0.765 15.109 315 HD3 LYS 43 HD1 LYS 43 -2.295 -0.736 15.247 316 HE2 LYS 43 HE2 LYS 43 -1.592 1.141 17.499 317 HE3 LYS 43 HE1 LYS 43 -3.176 0.965 16.749 318 HZ1 LYS 43 HZ1 LYS 43 -1.722 -1.088 18.321 319 HZ2 LYS 43 HZ2 LYS 43 -3.170 -1.372 17.502 320 HZ3 LYS 43 HZ3 LYS 43 -3.126 -0.268 18.781 321 H SER 44 HN SER 44 -0.821 -1.351 12.112 322 HA SER 44 HA SER 44 -3.536 -0.756 12.588 323 HB2 SER 44 HB2 SER 44 -2.106 0.550 11.047 324 HB3 SER 44 HB1 SER 44 -2.092 -0.812 9.930 325 HG SER 44 HG SER 44 -3.696 0.631 9.317 326 H LEU 45 HN LEU 45 -1.943 -3.439 10.982 327 HA LEU 45 HA LEU 45 -4.131 -4.609 9.712 328 HB2 LEU 45 HB2 LEU 45 -1.468 -5.375 10.531 329 HB3 LEU 45 HB1 LEU 45 -2.584 -6.701 10.730 330 HG LEU 45 HG LEU 45 -1.545 -6.908 8.588 331 HD11 LEU 45 HD11 LEU 45 -4.317 -5.814 8.165 332 HD12 LEU 45 HD12 LEU 45 -3.941 -7.446 8.717 333 HD13 LEU 45 HD13 LEU 45 -3.440 -6.922 7.109 334 HD21 LEU 45 HD21 LEU 45 -2.467 -4.097 8.036 335 HD22 LEU 45 HD22 LEU 45 -1.679 -5.172 6.882 336 HD23 LEU 45 HD23 LEU 45 -0.804 -4.612 8.307 337 H ALA 46 HN ALA 46 -2.965 -4.857 13.044 338 HA ALA 46 HA ALA 46 -5.034 -6.745 13.771 339 HB1 ALA 46 HB1 ALA 46 -3.007 -5.318 15.488 340 HB2 ALA 46 HB2 ALA 46 -2.802 -6.910 14.757 341 HB3 ALA 46 HB3 ALA 46 -4.036 -6.659 15.992 342 H ASP 47 HN ASP 47 -4.360 -3.326 14.200 343 HA ASP 47 HA ASP 47 -6.410 -2.915 16.163 344 HB2 ASP 47 HB2 ASP 47 -4.302 -1.554 15.951 345 HB3 ASP 47 HB1 ASP 47 -4.987 -0.827 14.505 346 H ASN 48 HN ASN 48 -6.155 -2.526 12.679 347 HA ASN 48 HA ASN 48 -8.978 -1.675 12.632 348 HB2 ASN 48 HB2 ASN 48 -6.885 -0.905 10.594 349 HB3 ASN 48 HB1 ASN 48 -8.534 -0.330 10.674 350 HD21 ASN 48 HD21 ASN 48 -5.344 0.113 11.708 351 HD22 ASN 48 HD22 ASN 48 -5.616 1.468 12.751 352 HA PRO 49 HA PRO 49 -9.409 -4.966 9.643 353 HB2 PRO 49 HB2 PRO 49 -11.798 -4.176 8.565 354 HB3 PRO 49 HB1 PRO 49 -11.634 -4.956 10.138 355 HG2 PRO 49 HG2 PRO 49 -12.422 -2.242 9.554 356 HG3 PRO 49 HG1 PRO 49 -12.373 -3.060 11.121 357 HD2 PRO 49 HD2 PRO 49 -10.435 -1.212 9.911 358 HD3 PRO 49 HD1 PRO 49 -10.627 -1.684 11.608 359 H ILE 50 HN ILE 50 -7.679 -4.424 8.252 360 HA ILE 50 HA ILE 50 -7.765 -2.308 6.384 361 HB ILE 50 HB ILE 50 -6.004 -4.759 6.489 362 HG12 ILE 50 HG12 ILE 50 -5.781 -3.365 8.457 363 HG13 ILE 50 HG11 ILE 50 -4.351 -3.195 7.450 364 HG21 ILE 50 HG21 ILE 50 -4.488 -3.567 5.035 365 HG22 ILE 50 HG22 ILE 50 -5.608 -2.210 4.948 366 HG23 ILE 50 HG23 ILE 50 -6.055 -3.766 4.252 367 HD11 ILE 50 HD11 ILE 50 -6.608 -1.247 7.791 368 HD12 ILE 50 HD12 ILE 50 -5.392 -1.107 6.523 369 HD13 ILE 50 HD13 ILE 50 -4.909 -1.034 8.221 370 H ASP 51 HN ASP 51 -8.907 -2.192 4.590 371 HA ASP 51 HA ASP 51 -9.966 -4.604 3.340 372 HB2 ASP 51 HB2 ASP 51 -10.453 -1.665 2.834 373 HB3 ASP 51 HB1 ASP 51 -11.141 -2.941 1.840 374 H VAL 52 HN VAL 52 -7.614 -2.107 2.848 375 HA VAL 52 HA VAL 52 -6.415 -3.516 0.660 376 HB VAL 52 HB VAL 52 -8.254 -2.265 -0.484 377 HG11 VAL 52 HG11 VAL 52 -7.928 0.204 -0.732 378 HG12 VAL 52 HG12 VAL 52 -6.795 0.116 0.614 379 HG13 VAL 52 HG13 VAL 52 -8.485 -0.328 0.853 380 HG21 VAL 52 HG21 VAL 52 -6.270 -2.832 -1.733 381 HG22 VAL 52 HG22 VAL 52 -5.457 -1.380 -1.149 382 HG23 VAL 52 HG23 VAL 52 -6.849 -1.237 -2.223 383 H ALA 53 HN ALA 53 -4.364 -2.542 0.068 384 HA ALA 53 HA ALA 53 -3.456 -0.407 1.846 385 HB1 ALA 53 HB1 ALA 53 -1.497 -1.623 2.521 386 HB2 ALA 53 HB2 ALA 53 -1.948 -2.992 1.504 387 HB3 ALA 53 HB3 ALA 53 -2.925 -2.580 2.916 388 H VAL 54 HN VAL 54 -1.338 0.423 1.222 389 HA VAL 54 HA VAL 54 -0.525 -0.204 -1.499 390 HB VAL 54 HB VAL 54 -2.012 2.029 -1.028 391 HG11 VAL 54 HG11 VAL 54 0.839 2.974 -0.919 392 HG12 VAL 54 HG12 VAL 54 -0.361 3.113 0.365 393 HG13 VAL 54 HG13 VAL 54 -0.583 3.990 -1.147 394 HG21 VAL 54 HG21 VAL 54 -1.267 2.786 -3.179 395 HG22 VAL 54 HG22 VAL 54 -1.458 1.027 -3.159 396 HG23 VAL 54 HG23 VAL 54 0.163 1.749 -3.078 397 H LEU 55 HN LEU 55 1.601 -0.610 -1.519 398 HA LEU 55 HA LEU 55 3.065 0.149 0.918 399 HB2 LEU 55 HB2 LEU 55 2.925 -2.432 -0.572 400 HB3 LEU 55 HB1 LEU 55 4.400 -2.027 0.280 401 HG LEU 55 HG LEU 55 3.163 -1.902 2.395 402 HD11 LEU 55 HD11 LEU 55 0.848 -2.693 2.511 403 HD12 LEU 55 HD12 LEU 55 0.779 -2.710 0.747 404 HD13 LEU 55 HD13 LEU 55 1.000 -1.184 1.607 405 HD21 LEU 55 HD21 LEU 55 2.823 -4.423 0.793 406 HD22 LEU 55 HD22 LEU 55 2.496 -4.316 2.525 407 HD23 LEU 55 HD23 LEU 55 4.124 -4.007 1.911 408 H ASP 56 HN ASP 56 4.427 1.723 0.406 409 HA ASP 56 HA ASP 56 5.797 1.730 -2.129 410 HB2 ASP 56 HB2 ASP 56 5.143 3.752 -0.468 411 HB3 ASP 56 HB1 ASP 56 6.793 3.452 0.072 412 H VAL 57 HN VAL 57 7.130 0.099 -2.366 413 HA VAL 57 HA VAL 57 8.208 -1.496 -0.410 414 HB VAL 57 HB VAL 57 9.373 -1.027 -3.158 415 HG11 VAL 57 HG11 VAL 57 9.579 -3.391 -1.300 416 HG12 VAL 57 HG12 VAL 57 10.881 -2.282 -1.731 417 HG13 VAL 57 HG13 VAL 57 10.178 -3.337 -2.958 418 HG21 VAL 57 HG21 VAL 57 7.942 -2.894 -3.854 419 HG22 VAL 57 HG22 VAL 57 6.998 -1.523 -3.275 420 HG23 VAL 57 HG23 VAL 57 7.224 -2.936 -2.244 421 H ASN 58 HN ASN 58 9.532 1.473 -1.700 422 HA ASN 58 HA ASN 58 12.052 1.002 -0.295 423 HB2 ASN 58 HB2 ASN 58 12.070 1.853 -2.653 424 HB3 ASN 58 HB1 ASN 58 11.307 3.326 -2.074 425 HD21 ASN 58 HD21 ASN 58 12.511 4.809 -0.918 426 HD22 ASN 58 HD22 ASN 58 14.234 4.718 -0.813 427 H LEU 59 HN LEU 59 11.010 1.148 1.797 428 HA LEU 59 HA LEU 59 9.912 3.654 2.677 429 HB2 LEU 59 HB2 LEU 59 10.913 1.290 4.268 430 HB3 LEU 59 HB1 LEU 59 10.036 2.653 4.935 431 HG LEU 59 HG LEU 59 8.947 0.672 2.935 432 HD11 LEU 59 HD11 LEU 59 9.272 -0.241 5.199 433 HD12 LEU 59 HD12 LEU 59 7.570 -0.116 4.756 434 HD13 LEU 59 HD13 LEU 59 8.285 1.069 5.849 435 HD21 LEU 59 HD21 LEU 59 7.633 3.002 4.331 436 HD22 LEU 59 HD22 LEU 59 6.799 1.790 3.358 437 HD23 LEU 59 HD23 LEU 59 7.973 2.868 2.605 438 H GLY 60 HN GLY 60 12.998 2.422 2.173 439 HA2 GLY 60 HA2 GLY 60 14.298 4.829 2.748 440 HA3 GLY 60 HA1 GLY 60 14.526 3.741 4.116 441 HA PRO 61 HA PRO 61 17.972 2.991 1.019 442 HB2 PRO 61 HB2 PRO 61 19.221 2.413 3.641 443 HB3 PRO 61 HB1 PRO 61 19.887 3.265 2.251 444 HG2 PRO 61 HG2 PRO 61 19.092 4.616 4.391 445 HG3 PRO 61 HG1 PRO 61 18.772 5.238 2.760 446 HD2 PRO 61 HD2 PRO 61 16.913 3.914 4.682 447 HD3 PRO 61 HD1 PRO 61 16.609 5.244 3.551 448 H LYS 62 HN LYS 62 17.210 1.191 4.000 449 HA LYS 62 HA LYS 62 17.291 -1.282 2.398 450 HB2 LYS 62 HB2 LYS 62 18.108 -0.850 5.270 451 HB3 LYS 62 HB1 LYS 62 17.772 -2.444 4.618 452 HG2 LYS 62 HG2 LYS 62 20.096 -2.217 4.522 453 HG3 LYS 62 HG1 LYS 62 19.545 -1.941 2.870 454 HD2 LYS 62 HD2 LYS 62 19.672 0.490 3.268 455 HD3 LYS 62 HD1 LYS 62 20.297 0.172 4.888 456 HE2 LYS 62 HE2 LYS 62 22.206 -1.022 3.878 457 HE3 LYS 62 HE1 LYS 62 21.592 -0.610 2.278 458 HZ1 LYS 62 HZ1 LYS 62 23.312 0.921 2.965 459 HZ2 LYS 62 HZ2 LYS 62 22.446 1.328 4.361 460 HZ3 LYS 62 HZ3 LYS 62 21.835 1.731 2.834 461 H SER 63 HN SER 63 15.502 0.722 4.527 462 HA SER 63 HA SER 63 13.688 -1.136 5.574 463 HB2 SER 63 HB2 SER 63 13.307 1.809 5.000 464 HB3 SER 63 HB1 SER 63 12.297 0.830 6.061 465 HG SER 63 HG SER 63 13.710 1.635 7.464 466 H HIS 64 HN HIS 64 11.985 -2.133 4.750 467 HA HIS 64 HA HIS 64 10.709 -1.146 2.317 468 HB2 HIS 64 HB2 HIS 64 10.816 -3.393 1.265 469 HB3 HIS 64 HB1 HIS 64 12.410 -2.681 1.470 470 HD1 HIS 64 HD1 HIS 64 10.187 -5.096 3.417 471 HD2 HIS 64 HD2 HIS 64 14.178 -4.449 2.489 472 HE1 HIS 64 HE1 HIS 64 11.432 -6.996 4.473 473 HE2 HIS 64 HE2 HIS 64 13.829 -6.671 3.764 474 H CYS 65 HN CYS 65 8.550 -1.936 2.044 475 HA CYS 65 HA CYS 65 7.270 -2.911 4.436 476 HB2 CYS 65 HB2 CYS 65 5.890 -2.953 1.822 477 HB3 CYS 65 HB1 CYS 65 5.299 -2.440 3.386 478 HG CYS 65 HG CYS 65 6.170 0.066 3.301 479 H GLY 66 HN GLY 66 8.332 -4.944 4.766 480 HA2 GLY 66 HA2 GLY 66 7.945 -6.950 2.638 481 HA3 GLY 66 HA1 GLY 66 9.128 -7.060 3.930 482 HA PRO 67 HA PRO 67 6.350 -9.348 6.570 483 HB2 PRO 67 HB2 PRO 67 6.271 -7.142 8.536 484 HB3 PRO 67 HB1 PRO 67 6.748 -8.823 8.749 485 HG2 PRO 67 HG2 PRO 67 8.540 -6.830 8.695 486 HG3 PRO 67 HG1 PRO 67 8.901 -8.452 8.083 487 HD2 PRO 67 HD2 PRO 67 8.352 -5.946 6.594 488 HD3 PRO 67 HD1 PRO 67 9.362 -7.334 6.158 489 H VAL 68 HN VAL 68 5.654 -6.019 5.838 490 HA VAL 68 HA VAL 68 2.918 -5.987 6.602 491 HB VAL 68 HB VAL 68 4.153 -4.375 4.368 492 HG11 VAL 68 HG11 VAL 68 2.423 -2.768 4.895 493 HG12 VAL 68 HG12 VAL 68 1.839 -3.794 6.204 494 HG13 VAL 68 HG13 VAL 68 1.712 -4.341 4.533 495 HG21 VAL 68 HG21 VAL 68 5.566 -4.109 6.310 496 HG22 VAL 68 HG22 VAL 68 4.161 -3.801 7.328 497 HG23 VAL 68 HG23 VAL 68 4.610 -2.645 6.076 498 H ALA 69 HN ALA 69 4.602 -6.511 3.548 499 HA ALA 69 HA ALA 69 2.413 -6.982 1.898 500 HB1 ALA 69 HB1 ALA 69 4.001 -8.182 0.459 501 HB2 ALA 69 HB2 ALA 69 5.177 -8.193 1.776 502 HB3 ALA 69 HB3 ALA 69 4.678 -6.663 1.050 503 H ASP 70 HN ASP 70 4.373 -9.237 3.808 504 HA ASP 70 HA ASP 70 2.963 -11.571 3.084 505 HB2 ASP 70 HB2 ASP 70 5.228 -11.504 4.172 506 HB3 ASP 70 HB1 ASP 70 4.434 -11.057 5.681 507 H ALA 71 HN ALA 71 2.508 -9.208 5.649 508 HA ALA 71 HA ALA 71 0.541 -10.557 7.138 509 HB1 ALA 71 HB1 ALA 71 0.839 -7.583 6.751 510 HB2 ALA 71 HB2 ALA 71 1.769 -8.553 7.896 511 HB3 ALA 71 HB3 ALA 71 0.021 -8.402 8.085 512 H LEU 72 HN LEU 72 0.328 -8.349 4.395 513 HA LEU 72 HA LEU 72 -2.508 -8.390 4.242 514 HB2 LEU 72 HB2 LEU 72 -0.408 -7.681 2.203 515 HB3 LEU 72 HB1 LEU 72 -2.121 -7.353 2.035 516 HG LEU 72 HG LEU 72 -0.367 -6.238 4.221 517 HD11 LEU 72 HD11 LEU 72 -1.444 -4.968 1.726 518 HD12 LEU 72 HD12 LEU 72 0.248 -5.315 2.105 519 HD13 LEU 72 HD13 LEU 72 -0.642 -4.118 3.052 520 HD21 LEU 72 HD21 LEU 72 -2.639 -6.471 4.964 521 HD22 LEU 72 HD22 LEU 72 -3.248 -5.777 3.464 522 HD23 LEU 72 HD23 LEU 72 -2.344 -4.770 4.599 523 H LYS 73 HN LYS 73 0.072 -10.080 2.550 524 HA LYS 73 HA LYS 73 -1.405 -11.635 0.792 525 HB2 LYS 73 HB2 LYS 73 1.193 -12.089 2.214 526 HB3 LYS 73 HB1 LYS 73 0.575 -13.230 1.038 527 HG2 LYS 73 HG2 LYS 73 1.115 -10.325 0.497 528 HG3 LYS 73 HG1 LYS 73 2.214 -11.641 0.129 529 HD2 LYS 73 HD2 LYS 73 -0.565 -11.393 -0.991 530 HD3 LYS 73 HD1 LYS 73 0.898 -10.870 -1.824 531 HE2 LYS 73 HE2 LYS 73 1.728 -13.264 -1.478 532 HE3 LYS 73 HE1 LYS 73 0.053 -13.653 -1.082 533 HZ1 LYS 73 HZ1 LYS 73 0.545 -14.056 -3.415 534 HZ2 LYS 73 HZ2 LYS 73 0.985 -12.437 -3.625 535 HZ3 LYS 73 HZ3 LYS 73 -0.617 -12.836 -3.249 536 H GLN 74 HN GLN 74 -0.608 -12.147 4.173 537 HA GLN 74 HA GLN 74 -1.456 -14.821 4.394 538 HB2 GLN 74 HB2 GLN 74 -0.878 -14.618 6.595 539 HB3 GLN 74 HB1 GLN 74 -0.056 -13.204 5.964 540 HG2 GLN 74 HG2 GLN 74 -1.946 -11.826 6.654 541 HG3 GLN 74 HG1 GLN 74 -2.689 -13.255 7.369 542 HE21 GLN 74 HE21 GLN 74 -1.776 -10.741 8.590 543 HE22 GLN 74 HE22 GLN 74 -0.655 -11.198 9.825 544 H ARG 75 HN ARG 75 -3.121 -11.774 4.832 545 HA ARG 75 HA ARG 75 -5.596 -13.185 5.484 546 HB2 ARG 75 HB2 ARG 75 -4.959 -10.237 5.501 547 HB3 ARG 75 HB1 ARG 75 -6.459 -10.965 6.062 548 HG2 ARG 75 HG2 ARG 75 -5.247 -12.156 7.794 549 HG3 ARG 75 HG1 ARG 75 -3.725 -11.468 7.222 550 HD2 ARG 75 HD2 ARG 75 -4.493 -9.242 7.759 551 HD3 ARG 75 HD1 ARG 75 -6.080 -9.861 8.209 552 HE ARG 75 HE ARG 75 -4.028 -11.085 9.752 553 HH11 ARG 75 HH11 ARG 75 -5.881 -8.142 9.411 554 HH12 ARG 75 HH12 ARG 75 -5.720 -7.688 11.077 555 HH21 ARG 75 HH21 ARG 75 -3.818 -10.499 11.960 556 HH22 ARG 75 HH22 ARG 75 -4.567 -9.043 12.531 557 H ALA 76 HN ALA 76 -4.129 -12.534 2.740 558 HA ALA 76 HA ALA 76 -4.723 -12.241 0.572 559 HB1 ALA 76 HB1 ALA 76 -6.927 -13.003 -0.114 560 HB2 ALA 76 HB2 ALA 76 -7.482 -12.949 1.559 561 HB3 ALA 76 HB3 ALA 76 -6.234 -14.099 1.082 562 H ILE 77 HN ILE 77 -4.704 -9.908 2.267 563 HA ILE 77 HA ILE 77 -6.905 -8.240 1.398 564 HB ILE 77 HB ILE 77 -4.364 -7.590 2.908 565 HG12 ILE 77 HG12 ILE 77 -7.191 -7.701 3.955 566 HG13 ILE 77 HG11 ILE 77 -6.109 -9.089 3.998 567 HG21 ILE 77 HG21 ILE 77 -5.461 -5.454 3.441 568 HG22 ILE 77 HG22 ILE 77 -6.783 -5.878 2.351 569 HG23 ILE 77 HG23 ILE 77 -5.156 -5.637 1.713 570 HD11 ILE 77 HD11 ILE 77 -5.579 -6.434 5.311 571 HD12 ILE 77 HD12 ILE 77 -4.563 -7.874 5.400 572 HD13 ILE 77 HD13 ILE 77 -6.170 -7.884 6.123 573 HA PRO 78 HA PRO 78 -4.817 -7.113 -2.350 574 HB2 PRO 78 HB2 PRO 78 -6.433 -5.024 -3.028 575 HB3 PRO 78 HB1 PRO 78 -6.806 -6.718 -3.335 576 HG2 PRO 78 HG2 PRO 78 -7.888 -4.883 -1.298 577 HG3 PRO 78 HG1 PRO 78 -8.630 -6.305 -2.040 578 HD2 PRO 78 HD2 PRO 78 -7.525 -6.172 0.514 579 HD3 PRO 78 HD1 PRO 78 -7.915 -7.653 -0.369 580 H PHE 79 HN PHE 79 -3.246 -5.758 -2.909 581 HA PHE 79 HA PHE 79 -3.063 -3.068 -1.942 582 HB2 PHE 79 HB2 PHE 79 -0.925 -3.326 -0.763 583 HB3 PHE 79 HB1 PHE 79 -2.241 -4.159 0.038 584 HD1 PHE 79 HD2 PHE 79 -2.458 -6.678 -0.434 585 HD2 PHE 79 HD1 PHE 79 1.056 -4.423 -1.192 586 HE1 PHE 79 HE2 PHE 79 -1.133 -8.749 -0.430 587 HE2 PHE 79 HE1 PHE 79 2.395 -6.490 -1.192 588 HZ PHE 79 HZ PHE 79 1.344 -8.625 -0.694 589 H ILE 80 HN ILE 80 -1.283 -1.933 -2.835 590 HA ILE 80 HA ILE 80 -0.148 -3.276 -5.205 591 HB ILE 80 HB ILE 80 -0.915 -0.362 -4.964 592 HG12 ILE 80 HG12 ILE 80 -2.126 -2.636 -6.539 593 HG13 ILE 80 HG11 ILE 80 -2.875 -1.760 -5.206 594 HG21 ILE 80 HG21 ILE 80 -0.333 -0.212 -7.352 595 HG22 ILE 80 HG22 ILE 80 0.249 -1.877 -7.300 596 HG23 ILE 80 HG23 ILE 80 1.061 -0.631 -6.352 597 HD11 ILE 80 HD11 ILE 80 -2.169 -0.631 -7.900 598 HD12 ILE 80 HD12 ILE 80 -2.887 0.269 -6.563 599 HD13 ILE 80 HD13 ILE 80 -3.783 -1.048 -7.321 600 H LEU 81 HN LEU 81 1.997 -3.054 -5.550 601 HA LEU 81 HA LEU 81 3.549 -1.810 -3.422 602 HB2 LEU 81 HB2 LEU 81 4.436 -3.449 -5.799 603 HB3 LEU 81 HB1 LEU 81 5.505 -2.826 -4.561 604 HG LEU 81 HG LEU 81 5.218 -5.052 -3.971 605 HD11 LEU 81 HD11 LEU 81 3.130 -3.549 -2.406 606 HD12 LEU 81 HD12 LEU 81 4.862 -3.571 -2.077 607 HD13 LEU 81 HD13 LEU 81 3.913 -5.049 -1.913 608 HD21 LEU 81 HD21 LEU 81 3.105 -6.236 -3.962 609 HD22 LEU 81 HD22 LEU 81 3.415 -5.548 -5.555 610 HD23 LEU 81 HD23 LEU 81 2.259 -4.776 -4.470 611 H HIS 82 HN HIS 82 3.907 0.246 -3.614 612 HA HIS 82 HA HIS 82 4.230 1.393 -6.295 613 HB2 HIS 82 HB2 HIS 82 2.448 2.366 -4.931 614 HB3 HIS 82 HB1 HIS 82 3.576 2.703 -3.632 615 HD1 HIS 82 HD1 HIS 82 3.077 5.226 -3.721 616 HD2 HIS 82 HD2 HIS 82 4.532 3.684 -7.291 617 HE1 HIS 82 HE1 HIS 82 3.482 7.216 -5.211 618 HE2 HIS 82 HE2 HIS 82 4.588 6.272 -7.250 619 H THR 83 HN THR 83 6.272 1.744 -6.938 620 HA THR 83 HA THR 83 8.264 2.873 -5.252 621 HB THR 83 HB THR 83 8.262 0.618 -4.253 622 HG1 THR 83 HG1 THR 83 10.277 1.800 -4.509 623 HG21 THR 83 HG21 THR 83 8.991 -0.338 -7.026 624 HG22 THR 83 HG22 THR 83 7.467 -0.646 -6.193 625 HG23 THR 83 HG23 THR 83 8.968 -1.328 -5.567 626 H GLY 84 HN GLY 84 10.221 3.287 -6.379 627 HA2 GLY 84 HA2 GLY 84 10.024 2.866 -9.290 628 HA3 GLY 84 HA1 GLY 84 10.902 4.183 -8.519 629 H ASP 85 HN ASP 85 11.451 1.552 -6.666 630 HA ASP 85 HA ASP 85 13.947 0.931 -8.098 631 HB2 ASP 85 HB2 ASP 85 13.353 0.842 -5.130 632 HB3 ASP 85 HB1 ASP 85 14.863 0.316 -5.862 633 H LEU 86 HN LEU 86 12.223 -0.483 -9.205 634 HA LEU 86 HA LEU 86 11.163 -2.717 -7.799 635 HB2 LEU 86 HB2 LEU 86 11.467 -2.206 -10.758 636 HB3 LEU 86 HB1 LEU 86 10.647 -3.601 -10.090 637 HG LEU 86 HG LEU 86 9.101 -1.916 -8.922 638 HD11 LEU 86 HD11 LEU 86 10.307 -0.108 -11.009 639 HD12 LEU 86 HD12 LEU 86 10.449 0.077 -9.261 640 HD13 LEU 86 HD13 LEU 86 8.877 0.246 -10.040 641 HD21 LEU 86 HD21 LEU 86 8.411 -3.328 -10.782 642 HD22 LEU 86 HD22 LEU 86 9.068 -2.158 -11.927 643 HD23 LEU 86 HD23 LEU 86 7.694 -1.722 -10.910 644 H ASP 87 HN ASP 87 13.857 -2.338 -10.083 645 HA ASP 87 HA ASP 87 14.573 -5.066 -10.154 646 HB2 ASP 87 HB2 ASP 87 16.276 -2.620 -10.677 647 HB3 ASP 87 HB1 ASP 87 16.740 -4.271 -11.070 648 H ARG 88 HN ARG 88 15.463 -2.438 -8.025 649 HA ARG 88 HA ARG 88 17.556 -3.807 -6.675 650 HB2 ARG 88 HB2 ARG 88 15.949 -1.363 -6.125 651 HB3 ARG 88 HB1 ARG 88 16.984 -2.032 -4.874 652 HG2 ARG 88 HG2 ARG 88 17.932 -1.281 -7.626 653 HG3 ARG 88 HG1 ARG 88 18.022 -0.233 -6.222 654 HD2 ARG 88 HD2 ARG 88 20.135 -1.171 -6.276 655 HD3 ARG 88 HD1 ARG 88 19.289 -2.189 -5.117 656 HE ARG 88 HE ARG 88 19.080 -3.286 -7.718 657 HH11 ARG 88 HH11 ARG 88 21.360 -2.843 -5.098 658 HH12 ARG 88 HH12 ARG 88 22.340 -4.202 -5.553 659 HH21 ARG 88 HH21 ARG 88 20.371 -5.072 -8.317 660 HH22 ARG 88 HH22 ARG 88 21.781 -5.463 -7.381 661 H HIS 89 HN HIS 89 14.173 -4.133 -6.554 662 HA HIS 89 HA HIS 89 14.418 -5.684 -4.077 663 HB2 HIS 89 HB2 HIS 89 12.338 -3.601 -4.695 664 HB3 HIS 89 HB1 HIS 89 12.071 -4.856 -3.492 665 HD1 HIS 89 HD1 HIS 89 13.927 -4.880 -1.489 666 HD2 HIS 89 HD2 HIS 89 13.645 -1.406 -3.758 667 HE1 HIS 89 HE1 HIS 89 15.052 -3.091 -0.130 668 HE2 HIS 89 HE2 HIS 89 14.773 -0.976 -1.466 669 H GLY 90 HN GLY 90 14.378 -6.566 -6.829 670 HA2 GLY 90 HA2 GLY 90 11.763 -7.427 -7.563 671 HA3 GLY 90 HA1 GLY 90 13.270 -7.985 -8.266 672 H GLU 91 HN GLU 91 14.294 -8.810 -5.615 673 HA GLU 91 HA GLU 91 13.174 -11.449 -5.618 674 HB2 GLU 91 HB2 GLU 91 15.386 -10.107 -4.116 675 HB3 GLU 91 HB1 GLU 91 14.785 -11.669 -3.579 676 HG2 GLU 91 HG2 GLU 91 16.752 -11.858 -5.030 677 HG3 GLU 91 HG1 GLU 91 15.340 -12.667 -5.698 678 H LEU 92 HN LEU 92 12.808 -8.564 -3.741 679 HA LEU 92 HA LEU 92 11.236 -9.779 -1.671 680 HB2 LEU 92 HB2 LEU 92 12.410 -7.667 -1.303 681 HB3 LEU 92 HB1 LEU 92 11.466 -6.906 -2.569 682 HG LEU 92 HG LEU 92 9.414 -7.323 -1.192 683 HD11 LEU 92 HD11 LEU 92 11.403 -7.980 0.973 684 HD12 LEU 92 HD12 LEU 92 10.350 -9.150 0.177 685 HD13 LEU 92 HD13 LEU 92 9.653 -7.853 1.147 686 HD21 LEU 92 HD21 LEU 92 10.564 -5.162 -1.259 687 HD22 LEU 92 HD22 LEU 92 11.563 -5.662 0.105 688 HD23 LEU 92 HD23 LEU 92 9.822 -5.471 0.310 689 H LEU 93 HN LEU 93 10.550 -7.887 -4.598 690 HA LEU 93 HA LEU 93 7.786 -7.790 -4.428 691 HB2 LEU 93 HB2 LEU 93 9.584 -7.890 -6.843 692 HB3 LEU 93 HB1 LEU 93 7.879 -7.504 -6.908 693 HG LEU 93 HG LEU 93 9.858 -5.900 -5.304 694 HD11 LEU 93 HD11 LEU 93 10.498 -5.827 -7.645 695 HD12 LEU 93 HD12 LEU 93 9.803 -4.286 -7.139 696 HD13 LEU 93 HD13 LEU 93 8.844 -5.413 -8.099 697 HD21 LEU 93 HD21 LEU 93 7.549 -5.672 -4.597 698 HD22 LEU 93 HD22 LEU 93 7.052 -5.342 -6.257 699 HD23 LEU 93 HD23 LEU 93 8.090 -4.201 -5.404 700 H ARG 94 HN ARG 94 9.853 -10.316 -5.798 701 HA ARG 94 HA ARG 94 7.772 -11.812 -6.949 702 HB2 ARG 94 HB2 ARG 94 9.329 -13.520 -7.331 703 HB3 ARG 94 HB1 ARG 94 10.206 -12.003 -7.489 704 HG2 ARG 94 HG2 ARG 94 11.035 -12.244 -5.238 705 HG3 ARG 94 HG1 ARG 94 10.145 -13.754 -5.089 706 HD2 ARG 94 HD2 ARG 94 12.512 -14.163 -5.607 707 HD3 ARG 94 HD1 ARG 94 11.458 -14.726 -6.902 708 HE ARG 94 HE ARG 94 12.863 -12.136 -7.040 709 HH11 ARG 94 HH11 ARG 94 11.957 -15.200 -8.464 710 HH12 ARG 94 HH12 ARG 94 12.682 -14.836 -9.995 711 HH21 ARG 94 HH21 ARG 94 13.833 -11.669 -9.040 712 HH22 ARG 94 HH22 ARG 94 13.747 -12.834 -10.327 713 H LYS 95 HN LYS 95 8.945 -11.620 -3.709 714 HA LYS 95 HA LYS 95 7.646 -13.982 -2.753 715 HB2 LYS 95 HB2 LYS 95 8.668 -11.507 -1.358 716 HB3 LYS 95 HB1 LYS 95 7.930 -12.853 -0.501 717 HG2 LYS 95 HG2 LYS 95 9.685 -14.340 -1.311 718 HG3 LYS 95 HG1 LYS 95 10.422 -12.995 -2.185 719 HD2 LYS 95 HD2 LYS 95 11.546 -13.437 -0.040 720 HD3 LYS 95 HD1 LYS 95 10.832 -11.826 -0.096 721 HE2 LYS 95 HE2 LYS 95 10.442 -12.916 2.063 722 HE3 LYS 95 HE1 LYS 95 8.931 -12.603 1.214 723 HZ1 LYS 95 HZ1 LYS 95 10.341 -15.212 1.381 724 HZ2 LYS 95 HZ2 LYS 95 8.936 -14.928 0.490 725 HZ3 LYS 95 HZ3 LYS 95 8.906 -14.795 2.174 726 H ILE 96 HN ILE 96 6.753 -10.704 -3.333 727 HA ILE 96 HA ILE 96 4.345 -10.778 -1.766 728 HB ILE 96 HB ILE 96 5.275 -8.728 -3.781 729 HG12 ILE 96 HG12 ILE 96 5.649 -8.758 -0.777 730 HG13 ILE 96 HG11 ILE 96 6.916 -9.095 -1.951 731 HG21 ILE 96 HG21 ILE 96 2.950 -8.492 -3.337 732 HG22 ILE 96 HG22 ILE 96 3.801 -7.230 -2.445 733 HG23 ILE 96 HG23 ILE 96 3.211 -8.659 -1.602 734 HD11 ILE 96 HD11 ILE 96 7.056 -6.823 -1.087 735 HD12 ILE 96 HD12 ILE 96 5.429 -6.494 -1.679 736 HD13 ILE 96 HD13 ILE 96 6.729 -6.833 -2.819 737 H ASP 97 HN ASP 97 5.137 -10.473 -5.218 738 HA ASP 97 HA ASP 97 3.946 -10.797 -7.116 739 HB2 ASP 97 HB2 ASP 97 4.161 -13.143 -6.379 740 HB3 ASP 97 HB1 ASP 97 2.639 -12.999 -5.506 741 H ALA 98 HN ALA 98 3.006 -8.725 -6.682 742 HA ALA 98 HA ALA 98 0.121 -8.801 -6.863 743 HB1 ALA 98 HB1 ALA 98 1.487 -7.209 -4.679 744 HB2 ALA 98 HB2 ALA 98 0.472 -8.629 -4.432 745 HB3 ALA 98 HB3 ALA 98 -0.228 -7.146 -5.082 746 HA PRO 99 HA PRO 99 0.700 -5.488 -9.676 747 HB2 PRO 99 HB2 PRO 99 -0.969 -3.629 -8.083 748 HB3 PRO 99 HB1 PRO 99 -1.155 -4.149 -9.757 749 HG2 PRO 99 HG2 PRO 99 -2.774 -5.086 -7.871 750 HG3 PRO 99 HG1 PRO 99 -2.165 -6.143 -9.155 751 HD2 PRO 99 HD2 PRO 99 -1.267 -5.919 -6.315 752 HD3 PRO 99 HD1 PRO 99 -1.499 -7.371 -7.313 753 H VAL 100 HN VAL 100 2.244 -4.020 -10.045 754 HA VAL 100 HA VAL 100 3.353 -2.555 -7.745 755 HB VAL 100 HB VAL 100 4.967 -3.679 -10.041 756 HG11 VAL 100 HG11 VAL 100 5.946 -1.700 -9.033 757 HG12 VAL 100 HG12 VAL 100 6.895 -3.132 -8.631 758 HG13 VAL 100 HG13 VAL 100 5.810 -2.428 -7.432 759 HG21 VAL 100 HG21 VAL 100 5.819 -5.339 -8.466 760 HG22 VAL 100 HG22 VAL 100 4.076 -5.502 -8.689 761 HG23 VAL 100 HG23 VAL 100 4.711 -4.741 -7.232 762 H MET 101 HN MET 101 3.138 -0.441 -8.018 763 HA MET 101 HA MET 101 3.067 0.648 -10.747 764 HB2 MET 101 HB2 MET 101 2.089 1.814 -8.135 765 HB3 MET 101 HB1 MET 101 2.120 2.704 -9.652 766 HG2 MET 101 HG2 MET 101 0.624 1.062 -10.641 767 HG3 MET 101 HG1 MET 101 0.577 0.177 -9.124 768 HE1 MET 101 HE1 MET 101 -0.649 3.152 -11.203 769 HE2 MET 101 HE2 MET 101 0.317 4.074 -10.052 770 HE3 MET 101 HE3 MET 101 -1.444 4.212 -10.036 771 H ALA 102 HN ALA 102 4.839 1.550 -11.467 772 HA ALA 102 HA ALA 102 7.092 1.912 -9.735 773 HB1 ALA 102 HB1 ALA 102 6.781 2.549 -12.662 774 HB2 ALA 102 HB2 ALA 102 7.354 1.023 -11.988 775 HB3 ALA 102 HB3 ALA 102 8.299 2.496 -11.769 776 H LYS 103 HN LYS 103 8.203 3.792 -9.276 777 HA LYS 103 HA LYS 103 6.634 6.244 -9.385 778 HB2 LYS 103 HB2 LYS 103 9.180 5.491 -7.949 779 HB3 LYS 103 HB1 LYS 103 8.615 7.152 -8.027 780 HG2 LYS 103 HG2 LYS 103 6.468 6.362 -6.996 781 HG3 LYS 103 HG1 LYS 103 7.251 4.806 -6.740 782 HD2 LYS 103 HD2 LYS 103 8.782 5.689 -5.211 783 HD3 LYS 103 HD1 LYS 103 8.503 7.346 -5.748 784 HE2 LYS 103 HE2 LYS 103 6.324 7.371 -4.740 785 HE3 LYS 103 HE1 LYS 103 6.422 5.651 -4.375 786 HZ1 LYS 103 HZ1 LYS 103 6.838 6.953 -2.401 787 HZ2 LYS 103 HZ2 LYS 103 8.100 7.787 -3.165 788 HZ3 LYS 103 HZ3 LYS 103 8.247 6.134 -2.846 789 HA PRO 104 HA PRO 104 7.031 8.444 -9.244 790 HB2 PRO 104 HB2 PRO 104 6.317 10.086 -11.543 791 HB3 PRO 104 HB1 PRO 104 7.115 10.560 -10.042 792 HG2 PRO 104 HG2 PRO 104 8.402 10.519 -12.425 793 HG3 PRO 104 HG1 PRO 104 9.222 10.185 -10.888 794 HD2 PRO 104 HD2 PRO 104 8.209 8.256 -12.951 795 HD3 PRO 104 HD1 PRO 104 9.743 8.243 -12.054 796 H ALA 105 HN ALA 105 4.898 8.297 -8.886 797 HA ALA 105 HA ALA 105 3.079 7.524 -11.050 798 HB1 ALA 105 HB1 ALA 105 3.154 6.157 -8.346 799 HB2 ALA 105 HB2 ALA 105 3.692 5.434 -9.873 800 HB3 ALA 105 HB3 ALA 105 1.989 5.850 -9.648 801 H ASP 106 HN ASP 106 1.213 8.659 -10.942 802 HA ASP 106 HA ASP 106 0.985 10.681 -8.925 803 HB2 ASP 106 HB2 ASP 106 0.196 10.989 -11.306 804 HB3 ASP 106 HB1 ASP 106 -1.142 9.904 -10.932 805 H THR 107 HN THR 107 -0.175 10.673 -7.139 806 HA THR 107 HA THR 107 -0.740 8.186 -6.001 807 HB THR 107 HB THR 107 -1.671 9.562 -4.101 808 HG1 THR 107 HG1 THR 107 -1.677 11.748 -4.294 809 HG21 THR 107 HG21 THR 107 0.517 10.421 -3.483 810 HG22 THR 107 HG22 THR 107 1.040 10.369 -5.166 811 HG23 THR 107 HG23 THR 107 0.702 8.869 -4.299 812 H SER 108 HN SER 108 -2.789 10.310 -7.826 813 HA SER 108 HA SER 108 -5.259 9.357 -6.782 814 HB2 SER 108 HB2 SER 108 -6.262 10.315 -8.843 815 HB3 SER 108 HB1 SER 108 -5.191 11.453 -8.027 816 HG SER 108 HG SER 108 -3.630 11.094 -9.564 817 H ASP 109 HN ASP 109 -3.220 8.420 -9.521 818 HA ASP 109 HA ASP 109 -4.915 6.351 -10.466 819 HB2 ASP 109 HB2 ASP 109 -1.994 6.952 -10.852 820 HB3 ASP 109 HB1 ASP 109 -2.724 5.494 -11.517 821 H VAL 110 HN VAL 110 -2.243 6.468 -8.200 822 HA VAL 110 HA VAL 110 -1.979 3.709 -7.767 823 HB VAL 110 HB VAL 110 -1.515 5.856 -5.694 824 HG11 VAL 110 HG11 VAL 110 0.049 4.314 -4.736 825 HG12 VAL 110 HG12 VAL 110 -0.158 3.196 -6.085 826 HG13 VAL 110 HG13 VAL 110 -1.489 3.475 -4.960 827 HG21 VAL 110 HG21 VAL 110 -0.388 6.459 -7.779 828 HG22 VAL 110 HG22 VAL 110 0.371 4.867 -7.832 829 HG23 VAL 110 HG23 VAL 110 0.774 5.993 -6.536 830 H ALA 111 HN ALA 111 -3.893 6.173 -6.078 831 HA ALA 111 HA ALA 111 -5.006 4.484 -4.124 832 HB1 ALA 111 HB1 ALA 111 -6.627 6.265 -3.760 833 HB2 ALA 111 HB2 ALA 111 -6.144 7.028 -5.274 834 HB3 ALA 111 HB3 ALA 111 -5.001 6.923 -3.936 835 H LYS 112 HN LYS 112 -6.262 5.573 -7.258 836 HA LYS 112 HA LYS 112 -8.755 4.287 -7.041 837 HB2 LYS 112 HB2 LYS 112 -7.182 5.177 -9.456 838 HB3 LYS 112 HB1 LYS 112 -8.835 4.583 -9.534 839 HG2 LYS 112 HG2 LYS 112 -9.619 6.405 -8.189 840 HG3 LYS 112 HG1 LYS 112 -7.967 6.953 -7.898 841 HD2 LYS 112 HD2 LYS 112 -7.721 7.361 -10.326 842 HD3 LYS 112 HD1 LYS 112 -9.412 6.910 -10.545 843 HE2 LYS 112 HE2 LYS 112 -10.106 8.743 -9.103 844 HE3 LYS 112 HE1 LYS 112 -8.420 9.175 -8.821 845 HZ1 LYS 112 HZ1 LYS 112 -9.399 10.602 -10.486 846 HZ2 LYS 112 HZ2 LYS 112 -9.828 9.268 -11.433 847 HZ3 LYS 112 HZ3 LYS 112 -8.198 9.644 -11.191 848 H ARG 113 HN ARG 113 -5.678 3.214 -8.457 849 HA ARG 113 HA ARG 113 -6.667 0.752 -9.441 850 HB2 ARG 113 HB2 ARG 113 -3.911 1.740 -8.797 851 HB3 ARG 113 HB1 ARG 113 -4.198 0.097 -9.355 852 HG2 ARG 113 HG2 ARG 113 -4.984 2.596 -10.833 853 HG3 ARG 113 HG1 ARG 113 -3.572 1.603 -11.165 854 HD2 ARG 113 HD2 ARG 113 -5.109 -0.329 -11.539 855 HD3 ARG 113 HD1 ARG 113 -6.458 0.797 -11.406 856 HE ARG 113 HE ARG 113 -4.421 1.400 -13.394 857 HH11 ARG 113 HH11 ARG 113 -7.620 0.154 -12.679 858 HH12 ARG 113 HH12 ARG 113 -8.140 0.213 -14.336 859 HH21 ARG 113 HH21 ARG 113 -5.104 1.459 -15.573 860 HH22 ARG 113 HH22 ARG 113 -6.711 0.948 -15.980 861 H ALA 114 HN ALA 114 -5.569 1.773 -6.300 862 HA ALA 114 HA ALA 114 -5.310 -0.901 -5.273 863 HB1 ALA 114 HB1 ALA 114 -5.141 0.250 -3.060 864 HB2 ALA 114 HB2 ALA 114 -5.400 1.781 -3.898 865 HB3 ALA 114 HB3 ALA 114 -3.967 0.816 -4.256 866 H LEU 115 HN LEU 115 -7.675 1.734 -4.932 867 HA LEU 115 HA LEU 115 -9.398 0.351 -3.201 868 HB2 LEU 115 HB2 LEU 115 -9.835 2.703 -5.003 869 HB3 LEU 115 HB1 LEU 115 -11.063 2.095 -3.908 870 HG LEU 115 HG LEU 115 -8.352 3.146 -3.107 871 HD11 LEU 115 HD11 LEU 115 -11.113 4.282 -2.791 872 HD12 LEU 115 HD12 LEU 115 -9.834 4.897 -3.839 873 HD13 LEU 115 HD13 LEU 115 -9.643 4.954 -2.085 874 HD21 LEU 115 HD21 LEU 115 -9.219 2.946 -0.811 875 HD22 LEU 115 HD22 LEU 115 -9.058 1.386 -1.612 876 HD23 LEU 115 HD23 LEU 115 -10.647 2.126 -1.438 877 H GLU 116 HN GLU 116 -9.150 0.286 -6.689 878 HA GLU 116 HA GLU 116 -11.750 -0.727 -7.171 879 HB2 GLU 116 HB2 GLU 116 -10.886 -1.423 -9.363 880 HB3 GLU 116 HB1 GLU 116 -10.454 0.228 -8.975 881 HG2 GLU 116 HG2 GLU 116 -8.232 -0.361 -8.482 882 HG3 GLU 116 HG1 GLU 116 -8.631 -2.068 -8.556 883 H MET 117 HN MET 117 -8.797 -2.204 -6.115 884 HA MET 117 HA MET 117 -9.575 -4.876 -6.695 885 HB2 MET 117 HB2 MET 117 -7.467 -3.771 -4.839 886 HB3 MET 117 HB1 MET 117 -7.684 -5.480 -5.178 887 HG2 MET 117 HG2 MET 117 -7.379 -4.876 -7.625 888 HG3 MET 117 HG1 MET 117 -6.819 -3.309 -7.052 889 HE1 MET 117 HE1 MET 117 -4.723 -2.944 -5.562 890 HE2 MET 117 HE2 MET 117 -3.581 -4.201 -5.087 891 HE3 MET 117 HE3 MET 117 -5.186 -4.145 -4.354 892 H CYS 118 HN CYS 118 -9.965 -2.736 -3.924 893 HA CYS 118 HA CYS 118 -11.178 -4.877 -2.371 894 HB2 CYS 118 HB2 CYS 118 -11.392 -3.140 -0.617 895 HB3 CYS 118 HB1 CYS 118 -9.739 -3.357 -1.163 896 HG CYS 118 HG CYS 118 -11.296 -0.967 -2.866 897 H GLY 119 HN GLY 119 -12.124 -2.844 -4.765 898 HA2 GLY 119 HA2 GLY 119 -14.896 -2.667 -3.791 899 HA3 GLY 119 HA1 GLY 119 -14.231 -1.774 -5.157 900 H GLY 120 HN GLY 120 -13.260 -5.005 -4.917 901 HA2 GLY 120 HA2 GLY 120 -15.404 -6.177 -6.423 902 HA3 GLY 120 HA1 GLY 120 -13.986 -5.832 -7.407 903 H ASP 121 HN ASP 121 -14.815 -7.289 -4.275 904 HA ASP 121 HA ASP 121 -12.494 -9.034 -4.447 905 HB2 ASP 121 HB2 ASP 121 -14.584 -8.759 -2.274 906 HB3 ASP 121 HB1 ASP 121 -13.135 -9.751 -2.169 907 H LYS 122 HN LYS 122 -15.088 -9.179 -6.054 908 HA LYS 122 HA LYS 122 -15.714 -12.001 -5.517 909 HB2 LYS 122 HB2 LYS 122 -17.651 -10.486 -5.384 910 HB3 LYS 122 HB1 LYS 122 -17.335 -9.946 -7.027 911 HG2 LYS 122 HG2 LYS 122 -17.773 -12.174 -7.875 912 HG3 LYS 122 HG1 LYS 122 -18.025 -12.765 -6.232 913 HD2 LYS 122 HD2 LYS 122 -19.944 -11.335 -5.968 914 HD3 LYS 122 HD1 LYS 122 -19.661 -10.609 -7.552 915 HE2 LYS 122 HE2 LYS 122 -21.441 -12.267 -7.672 916 HE3 LYS 122 HE1 LYS 122 -20.042 -12.783 -8.613 917 HZ1 LYS 122 HZ1 LYS 122 -20.776 -13.737 -5.899 918 HZ2 LYS 122 HZ2 LYS 122 -19.389 -14.203 -6.746 919 HZ3 LYS 122 HZ3 LYS 122 -20.916 -14.613 -7.339 920 H GLU 123 HN GLU 123 -15.583 -13.477 -7.173 921 HA GLU 123 HA GLU 123 -13.765 -12.951 -9.276 922 HB2 GLU 123 HB2 GLU 123 -15.653 -15.259 -8.799 923 HB3 GLU 123 HB1 GLU 123 -14.441 -15.229 -10.071 924 HG2 GLU 123 HG2 GLU 123 -13.914 -15.094 -7.112 925 HG3 GLU 123 HG1 GLU 123 -13.662 -16.492 -8.157 926 HA PRO 124 HA PRO 124 -16.646 -11.320 -12.276 927 HB2 PRO 124 HB2 PRO 124 -15.002 -11.416 -14.426 928 HB3 PRO 124 HB1 PRO 124 -14.840 -10.197 -13.156 929 HG2 PRO 124 HG2 PRO 124 -13.295 -12.726 -13.565 930 HG3 PRO 124 HG1 PRO 124 -12.708 -11.117 -13.106 931 HD2 PRO 124 HD2 PRO 124 -13.091 -13.119 -11.311 932 HD3 PRO 124 HD1 PRO 124 -13.278 -11.404 -10.898 933 H ALA 125 HN ALA 125 -17.172 -13.930 -11.624 934 HA ALA 125 HA ALA 125 -17.942 -15.056 -14.178 935 HB1 ALA 125 HB1 ALA 125 -15.732 -16.050 -13.803 936 HB2 ALA 125 HB2 ALA 125 -17.008 -17.262 -13.706 937 HB3 ALA 125 HB3 ALA 125 -16.266 -16.642 -12.231 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 -26.051 7.765 0.605 2 H2 GLY 1 HT2 GLY 1 -27.149 7.798 1.888 3 H3 GLY 1 HT3 GLY 1 -27.711 7.843 0.293 4 HA2 GLY 1 HA1 GLY 1 -28.019 5.649 1.260 5 HA3 GLY 1 HA2 GLY 1 -26.917 5.620 -0.108 6 H ALA 2 HN ALA 2 -26.903 3.575 1.724 7 HA ALA 2 HA ALA 2 -24.821 4.063 3.671 8 HB1 ALA 2 HB1 ALA 2 -26.215 1.499 2.909 9 HB2 ALA 2 HB2 ALA 2 -26.670 2.573 4.233 10 HB3 ALA 2 HB3 ALA 2 -25.130 1.715 4.283 11 H MET 3 HN MET 3 -23.094 4.654 2.298 12 HA MET 3 HA MET 3 -22.038 2.646 0.489 13 HB2 MET 3 HB2 MET 3 -20.423 4.282 -0.167 14 HB3 MET 3 HB1 MET 3 -21.972 5.101 -0.060 15 HG2 MET 3 HG2 MET 3 -19.819 5.179 2.044 16 HG3 MET 3 HG1 MET 3 -20.114 6.430 0.841 17 HE1 MET 3 HE1 MET 3 -19.944 7.062 3.933 18 HE2 MET 3 HE2 MET 3 -21.319 8.148 4.137 19 HE3 MET 3 HE3 MET 3 -20.288 8.287 2.712 20 H GLY 4 HN GLY 4 -19.833 1.895 0.706 21 HA2 GLY 4 HA2 GLY 4 -19.013 1.705 3.534 22 HA3 GLY 4 HA1 GLY 4 -18.885 0.366 2.401 23 H MET 5 HN MET 5 -17.416 3.183 3.642 24 HA MET 5 HA MET 5 -15.461 3.489 1.584 25 HB2 MET 5 HB2 MET 5 -15.686 4.568 4.378 26 HB3 MET 5 HB1 MET 5 -14.268 4.858 3.378 27 HG2 MET 5 HG2 MET 5 -15.698 5.900 1.681 28 HG3 MET 5 HG1 MET 5 -17.093 5.652 2.726 29 HE1 MET 5 HE1 MET 5 -17.506 8.312 2.300 30 HE2 MET 5 HE2 MET 5 -15.985 8.449 1.418 31 HE3 MET 5 HE3 MET 5 -16.333 9.549 2.752 32 HA PRO 6 HA PRO 6 -12.912 0.102 2.814 33 HB2 PRO 6 HB2 PRO 6 -10.780 1.043 1.186 34 HB3 PRO 6 HB1 PRO 6 -11.941 -0.227 0.814 35 HG2 PRO 6 HG2 PRO 6 -11.752 2.327 -0.369 36 HG3 PRO 6 HG1 PRO 6 -13.012 1.121 -0.628 37 HD2 PRO 6 HD2 PRO 6 -13.099 3.596 0.899 38 HD3 PRO 6 HD1 PRO 6 -14.430 2.569 0.353 39 H LYS 7 HN LYS 7 -11.367 -0.248 4.302 40 HA LYS 7 HA LYS 7 -10.015 2.051 5.476 41 HB2 LYS 7 HB2 LYS 7 -11.136 0.232 6.843 42 HB3 LYS 7 HB1 LYS 7 -9.863 -0.852 6.310 43 HG2 LYS 7 HG2 LYS 7 -9.324 -0.073 8.494 44 HG3 LYS 7 HG1 LYS 7 -8.206 0.679 7.353 45 HD2 LYS 7 HD2 LYS 7 -9.422 2.745 7.431 46 HD3 LYS 7 HD1 LYS 7 -10.707 2.008 8.390 47 HE2 LYS 7 HE2 LYS 7 -9.068 1.610 10.198 48 HE3 LYS 7 HE1 LYS 7 -7.847 2.446 9.244 49 HZ1 LYS 7 HZ1 LYS 7 -8.858 3.879 10.921 50 HZ2 LYS 7 HZ2 LYS 7 -10.378 3.653 10.220 51 HZ3 LYS 7 HZ3 LYS 7 -9.162 4.454 9.361 52 H VAL 8 HN VAL 8 -8.247 2.676 4.427 53 HA VAL 8 HA VAL 8 -6.637 0.696 2.990 54 HB VAL 8 HB VAL 8 -6.587 3.714 2.808 55 HG11 VAL 8 HG11 VAL 8 -5.335 3.357 0.737 56 HG12 VAL 8 HG12 VAL 8 -5.342 1.619 1.035 57 HG13 VAL 8 HG13 VAL 8 -4.483 2.698 2.134 58 HG21 VAL 8 HG21 VAL 8 -8.735 2.785 2.078 59 HG22 VAL 8 HG22 VAL 8 -7.887 1.715 0.961 60 HG23 VAL 8 HG23 VAL 8 -7.824 3.462 0.727 61 H LEU 9 HN LEU 9 -4.576 0.268 3.502 62 HA LEU 9 HA LEU 9 -3.345 1.794 5.689 63 HB2 LEU 9 HB2 LEU 9 -3.666 -0.551 6.213 64 HB3 LEU 9 HB1 LEU 9 -2.886 -1.030 4.722 65 HG LEU 9 HG LEU 9 -0.744 -0.220 5.537 66 HD11 LEU 9 HD11 LEU 9 -0.504 0.612 7.821 67 HD12 LEU 9 HD12 LEU 9 -2.251 0.523 8.045 68 HD13 LEU 9 HD13 LEU 9 -1.567 1.655 6.878 69 HD21 LEU 9 HD21 LEU 9 -1.342 -2.505 6.051 70 HD22 LEU 9 HD22 LEU 9 -2.196 -1.984 7.504 71 HD23 LEU 9 HD23 LEU 9 -0.445 -1.804 7.400 72 H VAL 10 HN VAL 10 -1.943 3.272 4.967 73 HA VAL 10 HA VAL 10 -0.553 2.795 2.443 74 HB VAL 10 HB VAL 10 -0.919 5.284 4.100 75 HG11 VAL 10 HG11 VAL 10 1.402 5.277 3.295 76 HG12 VAL 10 HG12 VAL 10 0.438 6.493 2.455 77 HG13 VAL 10 HG13 VAL 10 0.832 4.972 1.654 78 HG21 VAL 10 HG21 VAL 10 -1.640 4.555 1.264 79 HG22 VAL 10 HG22 VAL 10 -1.973 6.104 2.044 80 HG23 VAL 10 HG23 VAL 10 -2.751 4.634 2.630 81 H LEU 11 HN LEU 11 1.360 2.025 2.386 82 HA LEU 11 HA LEU 11 3.212 2.375 4.635 83 HB2 LEU 11 HB2 LEU 11 2.716 0.251 2.719 84 HB3 LEU 11 HB1 LEU 11 4.404 0.735 2.695 85 HG LEU 11 HG LEU 11 4.197 -1.117 4.192 86 HD11 LEU 11 HD11 LEU 11 4.990 -0.184 6.263 87 HD12 LEU 11 HD12 LEU 11 4.268 1.383 5.900 88 HD13 LEU 11 HD13 LEU 11 5.624 0.793 4.939 89 HD21 LEU 11 HD21 LEU 11 1.746 -0.869 4.491 90 HD22 LEU 11 HD22 LEU 11 2.041 0.469 5.602 91 HD23 LEU 11 HD23 LEU 11 2.602 -1.154 6.003 92 H GLU 12 HN GLU 12 4.428 4.109 4.416 93 HA GLU 12 HA GLU 12 6.107 4.534 2.173 94 HB2 GLU 12 HB2 GLU 12 4.161 5.405 1.054 95 HB3 GLU 12 HB1 GLU 12 3.706 6.355 2.458 96 HG2 GLU 12 HG2 GLU 12 4.608 7.735 0.675 97 HG3 GLU 12 HG1 GLU 12 5.603 7.815 2.121 98 H ASP 13 HN ASP 13 7.864 5.529 2.901 99 HA ASP 13 HA ASP 13 7.831 6.524 5.628 100 HB2 ASP 13 HB2 ASP 13 9.616 5.000 5.024 101 HB3 ASP 13 HB1 ASP 13 10.099 6.039 3.696 102 H GLU 14 HN GLU 14 8.006 7.721 2.386 103 HA GLU 14 HA GLU 14 8.896 10.359 3.082 104 HB2 GLU 14 HB2 GLU 14 7.603 9.204 0.628 105 HB3 GLU 14 HB1 GLU 14 8.014 10.908 0.768 106 HG2 GLU 14 HG2 GLU 14 9.932 8.598 0.930 107 HG3 GLU 14 HG1 GLU 14 9.729 9.704 -0.422 108 HA PRO 15 HA PRO 15 4.917 11.224 5.004 109 HB2 PRO 15 HB2 PRO 15 6.104 13.898 5.292 110 HB3 PRO 15 HB1 PRO 15 5.410 12.838 6.517 111 HG2 PRO 15 HG2 PRO 15 8.049 13.194 6.363 112 HG3 PRO 15 HG1 PRO 15 7.361 11.603 6.741 113 HD2 PRO 15 HD2 PRO 15 8.476 12.617 4.156 114 HD3 PRO 15 HD1 PRO 15 8.668 11.026 4.920 115 H LEU 16 HN LEU 16 6.451 13.260 2.564 116 HA LEU 16 HA LEU 16 4.175 14.837 1.976 117 HB2 LEU 16 HB2 LEU 16 6.724 15.023 1.271 118 HB3 LEU 16 HB1 LEU 16 6.175 14.129 -0.130 119 HG LEU 16 HG LEU 16 5.133 16.820 0.753 120 HD11 LEU 16 HD11 LEU 16 7.404 16.925 -0.122 121 HD12 LEU 16 HD12 LEU 16 6.259 17.658 -1.244 122 HD13 LEU 16 HD13 LEU 16 6.897 16.046 -1.565 123 HD21 LEU 16 HD21 LEU 16 3.952 16.838 -1.384 124 HD22 LEU 16 HD22 LEU 16 3.406 15.523 -0.341 125 HD23 LEU 16 HD23 LEU 16 4.492 15.187 -1.692 126 H ILE 17 HN ILE 17 5.528 11.943 0.456 127 HA ILE 17 HA ILE 17 3.452 11.525 -1.409 128 HB ILE 17 HB ILE 17 5.436 9.592 -0.202 129 HG12 ILE 17 HG12 ILE 17 5.436 11.131 -2.796 130 HG13 ILE 17 HG11 ILE 17 6.454 11.429 -1.407 131 HG21 ILE 17 HG21 ILE 17 3.564 9.273 -2.522 132 HG22 ILE 17 HG22 ILE 17 3.683 8.270 -1.072 133 HG23 ILE 17 HG23 ILE 17 4.981 8.259 -2.266 134 HD11 ILE 17 HD11 ILE 17 7.550 9.296 -1.710 135 HD12 ILE 17 HD12 ILE 17 7.657 10.277 -3.172 136 HD13 ILE 17 HD13 ILE 17 6.502 8.947 -3.085 137 H ALA 18 HN ALA 18 4.082 10.101 1.795 138 HA ALA 18 HA ALA 18 1.914 8.353 1.892 139 HB1 ALA 18 HB1 ALA 18 3.128 9.859 4.206 140 HB2 ALA 18 HB2 ALA 18 3.765 8.366 3.516 141 HB3 ALA 18 HB3 ALA 18 2.184 8.372 4.296 142 H MET 19 HN MET 19 2.139 11.722 2.987 143 HA MET 19 HA MET 19 -0.472 12.087 3.845 144 HB2 MET 19 HB2 MET 19 1.499 13.638 4.112 145 HB3 MET 19 HB1 MET 19 1.241 14.129 2.441 146 HG2 MET 19 HG2 MET 19 -1.091 14.756 3.108 147 HG3 MET 19 HG1 MET 19 -0.591 14.507 4.777 148 HE1 MET 19 HE1 MET 19 1.485 16.005 1.761 149 HE2 MET 19 HE2 MET 19 1.126 17.721 1.955 150 HE3 MET 19 HE3 MET 19 -0.161 16.592 1.532 151 H ASN 20 HN ASN 20 0.956 12.463 0.638 152 HA ASN 20 HA ASN 20 -1.360 13.536 -0.572 153 HB2 ASN 20 HB2 ASN 20 1.327 12.728 -1.367 154 HB3 ASN 20 HB1 ASN 20 0.132 12.446 -2.609 155 HD21 ASN 20 HD21 ASN 20 1.694 14.800 -0.653 156 HD22 ASN 20 HD22 ASN 20 1.224 16.176 -1.583 157 H LEU 21 HN LEU 21 -0.056 10.254 -0.328 158 HA LEU 21 HA LEU 21 -2.034 8.992 -1.870 159 HB2 LEU 21 HB2 LEU 21 -0.240 8.084 0.351 160 HB3 LEU 21 HB1 LEU 21 -1.415 7.004 -0.359 161 HG LEU 21 HG LEU 21 0.693 8.420 -1.971 162 HD11 LEU 21 HD11 LEU 21 0.763 5.634 -0.828 163 HD12 LEU 21 HD12 LEU 21 1.777 6.988 -0.327 164 HD13 LEU 21 HD13 LEU 21 1.929 6.326 -1.956 165 HD21 LEU 21 HD21 LEU 21 0.147 6.701 -3.618 166 HD22 LEU 21 HD22 LEU 21 -1.266 7.668 -3.195 167 HD23 LEU 21 HD23 LEU 21 -1.075 6.049 -2.527 168 H GLN 22 HN GLN 22 -1.822 9.700 1.595 169 HA GLN 22 HA GLN 22 -4.190 8.511 2.414 170 HB2 GLN 22 HB2 GLN 22 -2.560 9.395 3.991 171 HB3 GLN 22 HB1 GLN 22 -2.872 11.028 3.432 172 HG2 GLN 22 HG2 GLN 22 -5.137 10.913 4.288 173 HG3 GLN 22 HG1 GLN 22 -4.866 9.257 4.800 174 HE21 GLN 22 HE21 GLN 22 -5.306 9.718 6.936 175 HE22 GLN 22 HE22 GLN 22 -4.201 10.599 7.934 176 H TYR 23 HN TYR 23 -3.673 11.883 1.384 177 HA TYR 23 HA TYR 23 -6.396 12.596 1.463 178 HB2 TYR 23 HB2 TYR 23 -3.974 13.760 0.148 179 HB3 TYR 23 HB1 TYR 23 -5.567 14.402 -0.227 180 HD1 TYR 23 HD2 TYR 23 -6.988 15.278 1.673 181 HD2 TYR 23 HD1 TYR 23 -2.859 14.377 2.127 182 HE1 TYR 23 HE2 TYR 23 -6.916 16.663 3.703 183 HE2 TYR 23 HE1 TYR 23 -2.775 15.757 4.161 184 HH TYR 23 HH TYR 23 -5.517 16.795 5.789 185 H ALA 24 HN ALA 24 -4.510 10.925 -0.933 186 HA ALA 24 HA ALA 24 -6.259 11.401 -3.134 187 HB1 ALA 24 HB1 ALA 24 -5.033 9.601 -4.247 188 HB2 ALA 24 HB2 ALA 24 -4.256 9.184 -2.720 189 HB3 ALA 24 HB3 ALA 24 -3.935 10.744 -3.476 190 H PHE 25 HN PHE 25 -5.856 8.687 -0.872 191 HA PHE 25 HA PHE 25 -7.987 7.163 -1.943 192 HB2 PHE 25 HB2 PHE 25 -6.500 7.110 0.664 193 HB3 PHE 25 HB1 PHE 25 -7.890 6.067 0.401 194 HD1 PHE 25 HD2 PHE 25 -7.803 4.274 -1.272 195 HD2 PHE 25 HD1 PHE 25 -4.431 6.730 -0.443 196 HE1 PHE 25 HE2 PHE 25 -6.341 2.649 -2.413 197 HE2 PHE 25 HE1 PHE 25 -2.969 5.118 -1.583 198 HZ PHE 25 HZ PHE 25 -3.976 3.033 -2.570 199 H GLU 26 HN GLU 26 -7.785 9.465 0.749 200 HA GLU 26 HA GLU 26 -10.474 9.301 1.550 201 HB2 GLU 26 HB2 GLU 26 -8.547 11.626 1.666 202 HB3 GLU 26 HB1 GLU 26 -10.111 11.600 2.470 203 HG2 GLU 26 HG2 GLU 26 -9.347 9.608 3.745 204 HG3 GLU 26 HG1 GLU 26 -7.756 9.804 3.010 205 H ASP 27 HN ASP 27 -8.891 10.991 -1.055 206 HA ASP 27 HA ASP 27 -11.055 12.652 -1.829 207 HB2 ASP 27 HB2 ASP 27 -8.727 13.063 -2.511 208 HB3 ASP 27 HB1 ASP 27 -8.762 11.593 -3.468 209 H GLU 28 HN GLU 28 -10.083 9.371 -2.640 210 HA GLU 28 HA GLU 28 -12.047 9.050 -4.712 211 HB2 GLU 28 HB2 GLU 28 -10.439 7.009 -3.168 212 HB3 GLU 28 HB1 GLU 28 -11.481 6.626 -4.528 213 HG2 GLU 28 HG2 GLU 28 -9.029 8.369 -4.602 214 HG3 GLU 28 HG1 GLU 28 -9.154 6.716 -5.197 215 H GLY 29 HN GLY 29 -12.026 8.891 -1.308 216 HA2 GLY 29 HA2 GLY 29 -14.105 8.907 -0.099 217 HA3 GLY 29 HA1 GLY 29 -14.779 7.852 -1.335 218 H ALA 30 HN ALA 30 -11.884 7.784 0.740 219 HA ALA 30 HA ALA 30 -12.833 5.301 1.935 220 HB1 ALA 30 HB1 ALA 30 -11.531 4.566 0.005 221 HB2 ALA 30 HB2 ALA 30 -10.695 4.163 1.505 222 HB3 ALA 30 HB3 ALA 30 -10.163 5.541 0.542 223 H GLU 31 HN GLU 31 -11.216 4.583 3.670 224 HA GLU 31 HA GLU 31 -10.302 6.963 5.145 225 HB2 GLU 31 HB2 GLU 31 -12.017 5.571 6.260 226 HB3 GLU 31 HB1 GLU 31 -10.938 4.185 6.163 227 HG2 GLU 31 HG2 GLU 31 -10.913 5.191 8.372 228 HG3 GLU 31 HG1 GLU 31 -9.338 5.301 7.595 229 H VAL 32 HN VAL 32 -8.206 6.834 6.226 230 HA VAL 32 HA VAL 32 -6.405 4.867 4.962 231 HB VAL 32 HB VAL 32 -5.862 7.824 5.119 232 HG11 VAL 32 HG11 VAL 32 -3.848 7.400 3.912 233 HG12 VAL 32 HG12 VAL 32 -4.277 5.701 3.685 234 HG13 VAL 32 HG13 VAL 32 -3.881 6.302 5.295 235 HG21 VAL 32 HG21 VAL 32 -7.578 7.297 3.447 236 HG22 VAL 32 HG22 VAL 32 -6.466 6.156 2.685 237 HG23 VAL 32 HG23 VAL 32 -6.084 7.881 2.712 238 H VAL 33 HN VAL 33 -4.855 4.074 6.254 239 HA VAL 33 HA VAL 33 -4.125 5.585 8.677 240 HB VAL 33 HB VAL 33 -3.533 2.679 8.236 241 HG11 VAL 33 HG11 VAL 33 -2.156 3.842 9.870 242 HG12 VAL 33 HG12 VAL 33 -3.208 2.665 10.657 243 HG13 VAL 33 HG13 VAL 33 -3.606 4.382 10.718 244 HG21 VAL 33 HG21 VAL 33 -5.889 3.819 9.728 245 HG22 VAL 33 HG22 VAL 33 -5.421 2.117 9.670 246 HG23 VAL 33 HG23 VAL 33 -5.960 2.935 8.201 247 H VAL 34 HN VAL 34 -2.118 6.435 8.666 248 HA VAL 34 HA VAL 34 -0.356 5.724 6.469 249 HB VAL 34 HB VAL 34 -0.839 8.090 6.921 250 HG11 VAL 34 HG11 VAL 34 0.632 7.648 9.510 251 HG12 VAL 34 HG12 VAL 34 -1.075 8.051 9.320 252 HG13 VAL 34 HG13 VAL 34 0.163 9.218 8.855 253 HG21 VAL 34 HG21 VAL 34 1.236 7.460 5.801 254 HG22 VAL 34 HG22 VAL 34 2.052 7.352 7.360 255 HG23 VAL 34 HG23 VAL 34 1.457 8.909 6.782 256 H ALA 35 HN ALA 35 1.410 4.499 6.677 257 HA ALA 35 HA ALA 35 2.757 4.374 9.273 258 HB1 ALA 35 HB1 ALA 35 1.278 2.386 9.107 259 HB2 ALA 35 HB2 ALA 35 2.991 1.984 9.213 260 HB3 ALA 35 HB3 ALA 35 2.160 1.894 7.658 261 H ALA 36 HN ALA 36 4.920 4.465 9.115 262 HA ALA 36 HA ALA 36 6.072 4.475 6.418 263 HB1 ALA 36 HB1 ALA 36 7.953 5.672 7.408 264 HB2 ALA 36 HB2 ALA 36 7.226 5.501 9.009 265 HB3 ALA 36 HB3 ALA 36 6.426 6.479 7.777 266 H THR 37 HN THR 37 5.800 2.463 9.089 267 HA THR 37 HA THR 37 8.171 0.947 8.249 268 HB THR 37 HB THR 37 8.601 0.243 10.515 269 HG1 THR 37 HG1 THR 37 7.271 1.414 12.200 270 HG21 THR 37 HG21 THR 37 9.622 2.350 9.870 271 HG22 THR 37 HG22 THR 37 9.190 2.373 11.579 272 HG23 THR 37 HG23 THR 37 8.188 3.225 10.406 273 H CYS 38 HN CYS 38 8.031 -1.379 8.945 274 HA CYS 38 HA CYS 38 5.526 -2.482 8.147 275 HB2 CYS 38 HB2 CYS 38 7.943 -3.818 9.381 276 HB3 CYS 38 HB1 CYS 38 6.566 -4.668 8.694 277 HG CYS 38 HG CYS 38 9.129 -3.127 7.138 278 H GLU 39 HN GLU 39 7.129 -1.896 11.210 279 HA GLU 39 HA GLU 39 5.442 -3.404 12.864 280 HB2 GLU 39 HB2 GLU 39 6.983 -0.896 13.471 281 HB3 GLU 39 HB1 GLU 39 6.220 -1.907 14.683 282 HG2 GLU 39 HG2 GLU 39 7.642 -3.795 13.894 283 HG3 GLU 39 HG1 GLU 39 8.487 -2.647 12.859 284 H GLN 40 HN GLN 40 5.256 0.035 11.909 285 HA GLN 40 HA GLN 40 2.918 0.643 13.331 286 HB2 GLN 40 HB2 GLN 40 3.914 1.796 10.741 287 HB3 GLN 40 HB1 GLN 40 2.700 2.521 11.761 288 HG2 GLN 40 HG2 GLN 40 4.521 2.498 13.568 289 HG3 GLN 40 HG1 GLN 40 5.618 2.226 12.216 290 HE21 GLN 40 HE21 GLN 40 3.848 3.830 10.468 291 HE22 GLN 40 HE22 GLN 40 4.204 5.477 10.853 292 H ALA 41 HN ALA 41 3.448 -0.712 10.162 293 HA ALA 41 HA ALA 41 0.813 -0.608 9.205 294 HB1 ALA 41 HB1 ALA 41 2.872 -1.037 7.871 295 HB2 ALA 41 HB2 ALA 41 1.534 -2.135 7.530 296 HB3 ALA 41 HB3 ALA 41 2.885 -2.676 8.526 297 H LEU 42 HN LEU 42 2.604 -3.261 10.760 298 HA LEU 42 HA LEU 42 0.503 -5.109 10.751 299 HB2 LEU 42 HB2 LEU 42 2.824 -4.898 12.662 300 HB3 LEU 42 HB1 LEU 42 1.831 -6.316 12.406 301 HG LEU 42 HG LEU 42 3.616 -5.042 10.343 302 HD11 LEU 42 HD11 LEU 42 3.925 -7.619 11.874 303 HD12 LEU 42 HD12 LEU 42 4.867 -6.149 12.121 304 HD13 LEU 42 HD13 LEU 42 4.995 -7.034 10.600 305 HD21 LEU 42 HD21 LEU 42 3.117 -7.070 9.022 306 HD22 LEU 42 HD22 LEU 42 1.705 -6.049 9.288 307 HD23 LEU 42 HD23 LEU 42 1.914 -7.527 10.228 308 H LYS 43 HN LYS 43 1.339 -2.533 12.948 309 HA LYS 43 HA LYS 43 -0.397 -3.262 15.067 310 HB2 LYS 43 HB2 LYS 43 1.511 -1.574 15.139 311 HB3 LYS 43 HB1 LYS 43 0.433 -0.452 14.326 312 HG2 LYS 43 HG2 LYS 43 -0.426 -1.751 16.878 313 HG3 LYS 43 HG1 LYS 43 0.686 -0.385 16.914 314 HD2 LYS 43 HD2 LYS 43 -1.994 -0.339 15.531 315 HD3 LYS 43 HD1 LYS 43 -1.728 0.221 17.183 316 HE2 LYS 43 HE2 LYS 43 -0.074 1.841 16.335 317 HE3 LYS 43 HE1 LYS 43 -0.419 1.308 14.692 318 HZ1 LYS 43 HZ1 LYS 43 -2.697 2.051 14.967 319 HZ2 LYS 43 HZ2 LYS 43 -1.621 3.323 15.240 320 HZ3 LYS 43 HZ3 LYS 43 -2.372 2.557 16.547 321 H SER 44 HN SER 44 -0.752 -1.019 12.339 322 HA SER 44 HA SER 44 -3.429 -0.319 12.887 323 HB2 SER 44 HB2 SER 44 -2.050 1.033 11.402 324 HB3 SER 44 HB1 SER 44 -1.930 -0.303 10.258 325 HG SER 44 HG SER 44 -3.548 0.978 9.517 326 H LEU 45 HN LEU 45 -1.982 -2.885 10.963 327 HA LEU 45 HA LEU 45 -4.283 -3.872 9.721 328 HB2 LEU 45 HB2 LEU 45 -1.828 -4.443 9.331 329 HB3 LEU 45 HB1 LEU 45 -1.974 -5.541 10.686 330 HG LEU 45 HG LEU 45 -3.756 -6.761 9.470 331 HD11 LEU 45 HD11 LEU 45 -4.025 -6.311 7.065 332 HD12 LEU 45 HD12 LEU 45 -3.016 -4.874 7.239 333 HD13 LEU 45 HD13 LEU 45 -4.568 -4.968 8.069 334 HD21 LEU 45 HD21 LEU 45 -1.432 -7.503 9.382 335 HD22 LEU 45 HD22 LEU 45 -1.152 -6.469 7.981 336 HD23 LEU 45 HD23 LEU 45 -2.266 -7.831 7.863 337 H ALA 46 HN ALA 46 -2.978 -4.334 12.923 338 HA ALA 46 HA ALA 46 -4.827 -6.451 13.596 339 HB1 ALA 46 HB1 ALA 46 -3.774 -6.392 15.788 340 HB2 ALA 46 HB2 ALA 46 -2.917 -4.915 15.352 341 HB3 ALA 46 HB3 ALA 46 -2.555 -6.424 14.514 342 H ASP 47 HN ASP 47 -4.425 -3.017 14.291 343 HA ASP 47 HA ASP 47 -6.544 -2.916 16.216 344 HB2 ASP 47 HB2 ASP 47 -4.610 -1.376 16.254 345 HB3 ASP 47 HB1 ASP 47 -5.169 -0.660 14.750 346 H ASN 48 HN ASN 48 -6.248 -2.280 12.792 347 HA ASN 48 HA ASN 48 -9.116 -1.587 12.712 348 HB2 ASN 48 HB2 ASN 48 -7.035 -0.763 10.688 349 HB3 ASN 48 HB1 ASN 48 -8.700 -0.233 10.761 350 HD21 ASN 48 HD21 ASN 48 -5.531 0.192 11.926 351 HD22 ASN 48 HD22 ASN 48 -5.833 1.572 12.925 352 HA PRO 49 HA PRO 49 -9.422 -4.910 9.752 353 HB2 PRO 49 HB2 PRO 49 -11.854 -4.304 8.729 354 HB3 PRO 49 HB1 PRO 49 -11.629 -4.939 10.358 355 HG2 PRO 49 HG2 PRO 49 -12.469 -2.275 9.527 356 HG3 PRO 49 HG1 PRO 49 -12.510 -3.001 11.139 357 HD2 PRO 49 HD2 PRO 49 -10.550 -1.172 9.983 358 HD3 PRO 49 HD1 PRO 49 -10.764 -1.652 11.676 359 H ILE 50 HN ILE 50 -7.708 -4.191 8.363 360 HA ILE 50 HA ILE 50 -7.980 -2.147 6.452 361 HB ILE 50 HB ILE 50 -6.044 -4.454 6.612 362 HG12 ILE 50 HG12 ILE 50 -5.895 -2.922 8.482 363 HG13 ILE 50 HG11 ILE 50 -4.498 -2.715 7.440 364 HG21 ILE 50 HG21 ILE 50 -5.879 -1.993 4.896 365 HG22 ILE 50 HG22 ILE 50 -6.208 -3.626 4.320 366 HG23 ILE 50 HG23 ILE 50 -4.649 -3.244 5.052 367 HD11 ILE 50 HD11 ILE 50 -5.230 -0.560 8.123 368 HD12 ILE 50 HD12 ILE 50 -6.895 -0.917 7.669 369 HD13 ILE 50 HD13 ILE 50 -5.659 -0.751 6.422 370 H ASP 51 HN ASP 51 -8.994 -2.105 4.600 371 HA ASP 51 HA ASP 51 -10.035 -4.568 3.438 372 HB2 ASP 51 HB2 ASP 51 -10.562 -1.657 2.808 373 HB3 ASP 51 HB1 ASP 51 -11.296 -2.999 1.942 374 H VAL 52 HN VAL 52 -7.726 -2.032 2.824 375 HA VAL 52 HA VAL 52 -6.459 -3.602 0.780 376 HB VAL 52 HB VAL 52 -8.219 -2.439 -0.532 377 HG11 VAL 52 HG11 VAL 52 -7.956 0.007 -0.898 378 HG12 VAL 52 HG12 VAL 52 -6.844 0.037 0.467 379 HG13 VAL 52 HG13 VAL 52 -8.527 -0.433 0.709 380 HG21 VAL 52 HG21 VAL 52 -6.744 -1.503 -2.256 381 HG22 VAL 52 HG22 VAL 52 -6.145 -3.040 -1.626 382 HG23 VAL 52 HG23 VAL 52 -5.409 -1.525 -1.102 383 H ALA 53 HN ALA 53 -4.369 -2.708 0.194 384 HA ALA 53 HA ALA 53 -3.456 -0.526 1.924 385 HB1 ALA 53 HB1 ALA 53 -2.973 -2.615 3.095 386 HB2 ALA 53 HB2 ALA 53 -1.490 -1.801 2.589 387 HB3 ALA 53 HB3 ALA 53 -2.082 -3.198 1.686 388 H VAL 54 HN VAL 54 -1.330 0.288 1.328 389 HA VAL 54 HA VAL 54 -0.527 -0.270 -1.443 390 HB VAL 54 HB VAL 54 -0.014 2.476 -0.795 391 HG11 VAL 54 HG11 VAL 54 -1.383 2.771 -2.899 392 HG12 VAL 54 HG12 VAL 54 -1.550 1.007 -2.907 393 HG13 VAL 54 HG13 VAL 54 0.061 1.749 -3.018 394 HG21 VAL 54 HG21 VAL 54 -2.928 1.703 -0.708 395 HG22 VAL 54 HG22 VAL 54 -2.291 3.346 -0.764 396 HG23 VAL 54 HG23 VAL 54 -1.985 2.330 0.643 397 H LEU 55 HN LEU 55 1.525 -0.938 -1.339 398 HA LEU 55 HA LEU 55 3.035 -0.103 1.023 399 HB2 LEU 55 HB2 LEU 55 2.884 -2.686 -0.450 400 HB3 LEU 55 HB1 LEU 55 4.341 -2.290 0.438 401 HG LEU 55 HG LEU 55 3.041 -2.115 2.514 402 HD11 LEU 55 HD11 LEU 55 0.711 -2.905 0.787 403 HD12 LEU 55 HD12 LEU 55 0.917 -1.391 1.674 404 HD13 LEU 55 HD13 LEU 55 0.710 -2.909 2.551 405 HD21 LEU 55 HD21 LEU 55 2.803 -4.650 0.930 406 HD22 LEU 55 HD22 LEU 55 2.310 -4.538 2.621 407 HD23 LEU 55 HD23 LEU 55 3.986 -4.227 2.170 408 H ASP 56 HN ASP 56 4.356 1.493 0.495 409 HA ASP 56 HA ASP 56 5.804 1.459 -1.985 410 HB2 ASP 56 HB2 ASP 56 5.175 3.527 -0.448 411 HB3 ASP 56 HB1 ASP 56 6.712 3.135 0.316 412 H VAL 57 HN VAL 57 7.664 0.524 -2.359 413 HA VAL 57 HA VAL 57 8.604 -1.361 -0.433 414 HB VAL 57 HB VAL 57 9.851 -0.670 -3.095 415 HG11 VAL 57 HG11 VAL 57 11.270 -2.028 -1.684 416 HG12 VAL 57 HG12 VAL 57 10.638 -2.995 -3.017 417 HG13 VAL 57 HG13 VAL 57 9.947 -3.159 -1.402 418 HG21 VAL 57 HG21 VAL 57 8.476 -2.458 -4.035 419 HG22 VAL 57 HG22 VAL 57 7.478 -1.163 -3.374 420 HG23 VAL 57 HG23 VAL 57 7.678 -2.668 -2.476 421 H ASN 58 HN ASN 58 9.371 1.862 -1.149 422 HA ASN 58 HA ASN 58 12.054 1.619 0.005 423 HB2 ASN 58 HB2 ASN 58 11.859 2.891 -2.094 424 HB3 ASN 58 HB1 ASN 58 10.728 3.993 -1.323 425 HD21 ASN 58 HD21 ASN 58 11.484 5.483 0.165 426 HD22 ASN 58 HD22 ASN 58 13.167 5.862 0.313 427 H LEU 59 HN LEU 59 11.318 1.209 2.141 428 HA LEU 59 HA LEU 59 10.050 3.486 3.491 429 HB2 LEU 59 HB2 LEU 59 10.710 0.743 4.575 430 HB3 LEU 59 HB1 LEU 59 9.794 1.988 5.402 431 HG LEU 59 HG LEU 59 8.938 0.486 2.930 432 HD11 LEU 59 HD11 LEU 59 7.206 -0.422 4.390 433 HD12 LEU 59 HD12 LEU 59 7.886 0.465 5.754 434 HD13 LEU 59 HD13 LEU 59 8.818 -0.819 4.985 435 HD21 LEU 59 HD21 LEU 59 8.151 2.786 2.834 436 HD22 LEU 59 HD22 LEU 59 7.507 2.650 4.470 437 HD23 LEU 59 HD23 LEU 59 6.815 1.686 3.165 438 H GLY 60 HN GLY 60 13.009 2.348 2.690 439 HA2 GLY 60 HA2 GLY 60 14.514 4.299 3.863 440 HA3 GLY 60 HA1 GLY 60 14.517 2.982 5.032 441 HA PRO 61 HA PRO 61 17.982 2.306 1.886 442 HB2 PRO 61 HB2 PRO 61 19.334 1.716 4.442 443 HB3 PRO 61 HB1 PRO 61 19.934 2.597 3.040 444 HG2 PRO 61 HG2 PRO 61 19.233 3.892 5.255 445 HG3 PRO 61 HG1 PRO 61 18.861 4.560 3.655 446 HD2 PRO 61 HD2 PRO 61 17.061 3.182 5.598 447 HD3 PRO 61 HD1 PRO 61 16.736 4.566 4.539 448 H LYS 62 HN LYS 62 17.262 0.612 4.920 449 HA LYS 62 HA LYS 62 17.520 -1.950 3.502 450 HB2 LYS 62 HB2 LYS 62 18.967 -1.698 5.471 451 HB3 LYS 62 HB1 LYS 62 17.565 -1.351 6.470 452 HG2 LYS 62 HG2 LYS 62 16.712 -3.599 6.072 453 HG3 LYS 62 HG1 LYS 62 18.101 -3.947 5.044 454 HD2 LYS 62 HD2 LYS 62 19.597 -3.600 6.949 455 HD3 LYS 62 HD1 LYS 62 18.208 -3.246 7.977 456 HE2 LYS 62 HE2 LYS 62 18.977 -5.545 8.280 457 HE3 LYS 62 HE1 LYS 62 17.349 -5.498 7.606 458 HZ1 LYS 62 HZ1 LYS 62 19.835 -5.929 6.041 459 HZ2 LYS 62 HZ2 LYS 62 18.259 -5.940 5.428 460 HZ3 LYS 62 HZ3 LYS 62 18.752 -7.142 6.507 461 H SER 63 HN SER 63 15.407 0.074 5.390 462 HA SER 63 HA SER 63 13.383 -1.801 5.910 463 HB2 SER 63 HB2 SER 63 13.345 1.210 5.756 464 HB3 SER 63 HB1 SER 63 11.979 0.241 6.297 465 HG SER 63 HG SER 63 13.754 1.117 7.852 466 H HIS 64 HN HIS 64 11.882 -2.638 4.699 467 HA HIS 64 HA HIS 64 10.843 -1.203 2.385 468 HB2 HIS 64 HB2 HIS 64 11.069 -3.143 0.899 469 HB3 HIS 64 HB1 HIS 64 12.651 -2.624 1.464 470 HD1 HIS 64 HD1 HIS 64 10.046 -5.241 2.399 471 HD2 HIS 64 HD2 HIS 64 14.158 -4.675 2.391 472 HE1 HIS 64 HE1 HIS 64 11.012 -7.393 3.226 473 HE2 HIS 64 HE2 HIS 64 13.502 -7.001 3.321 474 H CYS 65 HN CYS 65 8.711 -1.875 1.818 475 HA CYS 65 HA CYS 65 7.138 -3.057 3.843 476 HB2 CYS 65 HB2 CYS 65 5.359 -2.979 2.165 477 HB3 CYS 65 HB1 CYS 65 6.266 -1.472 2.192 478 HG CYS 65 HG CYS 65 7.029 -3.906 -0.031 479 H GLY 66 HN GLY 66 8.193 -5.075 4.321 480 HA2 GLY 66 HA2 GLY 66 7.776 -7.142 2.251 481 HA3 GLY 66 HA1 GLY 66 9.032 -7.220 3.475 482 HA PRO 67 HA PRO 67 6.518 -9.405 6.402 483 HB2 PRO 67 HB2 PRO 67 6.485 -7.063 8.213 484 HB3 PRO 67 HB1 PRO 67 6.987 -8.721 8.525 485 HG2 PRO 67 HG2 PRO 67 8.750 -6.709 8.218 486 HG3 PRO 67 HG1 PRO 67 9.103 -8.380 7.752 487 HD2 PRO 67 HD2 PRO 67 8.548 -6.029 6.054 488 HD3 PRO 67 HD1 PRO 67 9.446 -7.510 5.690 489 H VAL 68 HN VAL 68 5.646 -6.074 5.730 490 HA VAL 68 HA VAL 68 2.953 -6.182 6.610 491 HB VAL 68 HB VAL 68 4.039 -4.473 4.369 492 HG11 VAL 68 HG11 VAL 68 2.279 -2.925 5.000 493 HG12 VAL 68 HG12 VAL 68 1.764 -4.008 6.296 494 HG13 VAL 68 HG13 VAL 68 1.597 -4.507 4.613 495 HG21 VAL 68 HG21 VAL 68 4.088 -3.939 7.338 496 HG22 VAL 68 HG22 VAL 68 4.514 -2.776 6.082 497 HG23 VAL 68 HG23 VAL 68 5.487 -4.231 6.305 498 H ALA 69 HN ALA 69 4.571 -6.882 3.588 499 HA ALA 69 HA ALA 69 2.271 -7.215 1.983 500 HB1 ALA 69 HB1 ALA 69 5.057 -8.330 1.679 501 HB2 ALA 69 HB2 ALA 69 4.468 -6.799 1.031 502 HB3 ALA 69 HB3 ALA 69 3.818 -8.325 0.422 503 H ASP 70 HN ASP 70 4.387 -9.510 3.685 504 HA ASP 70 HA ASP 70 2.948 -11.850 3.104 505 HB2 ASP 70 HB2 ASP 70 4.576 -11.155 5.570 506 HB3 ASP 70 HB1 ASP 70 4.001 -12.771 5.178 507 H ALA 71 HN ALA 71 2.665 -9.527 5.752 508 HA ALA 71 HA ALA 71 0.699 -10.708 7.298 509 HB1 ALA 71 HB1 ALA 71 0.959 -7.775 6.670 510 HB2 ALA 71 HB2 ALA 71 1.934 -8.647 7.853 511 HB3 ALA 71 HB3 ALA 71 0.193 -8.489 8.090 512 H LEU 72 HN LEU 72 0.277 -8.463 4.586 513 HA LEU 72 HA LEU 72 -2.543 -8.546 4.567 514 HB2 LEU 72 HB2 LEU 72 -0.564 -7.824 2.420 515 HB3 LEU 72 HB1 LEU 72 -2.289 -7.523 2.325 516 HG LEU 72 HG LEU 72 -0.463 -6.363 4.428 517 HD11 LEU 72 HD11 LEU 72 -1.619 -5.135 1.945 518 HD12 LEU 72 HD12 LEU 72 0.084 -5.487 2.263 519 HD13 LEU 72 HD13 LEU 72 -0.760 -4.268 3.224 520 HD21 LEU 72 HD21 LEU 72 -2.410 -4.891 4.854 521 HD22 LEU 72 HD22 LEU 72 -2.725 -6.588 5.222 522 HD23 LEU 72 HD23 LEU 72 -3.356 -5.877 3.736 523 H LYS 73 HN LYS 73 -0.063 -10.293 2.781 524 HA LYS 73 HA LYS 73 -1.694 -11.790 1.083 525 HB2 LYS 73 HB2 LYS 73 1.026 -12.165 2.247 526 HB3 LYS 73 HB1 LYS 73 0.305 -13.465 1.318 527 HG2 LYS 73 HG2 LYS 73 0.710 -10.650 0.333 528 HG3 LYS 73 HG1 LYS 73 1.768 -12.012 -0.010 529 HD2 LYS 73 HD2 LYS 73 -0.102 -13.171 -1.111 530 HD3 LYS 73 HD1 LYS 73 -1.128 -11.768 -0.806 531 HE2 LYS 73 HE2 LYS 73 0.285 -10.382 -2.180 532 HE3 LYS 73 HE1 LYS 73 1.430 -11.703 -2.397 533 HZ1 LYS 73 HZ1 LYS 73 -0.365 -12.946 -3.522 534 HZ2 LYS 73 HZ2 LYS 73 0.075 -11.528 -4.333 535 HZ3 LYS 73 HZ3 LYS 73 -1.350 -11.575 -3.422 536 H GLN 74 HN GLN 74 -0.782 -12.279 4.436 537 HA GLN 74 HA GLN 74 -1.828 -14.916 4.660 538 HB2 GLN 74 HB2 GLN 74 -1.138 -12.811 6.705 539 HB3 GLN 74 HB1 GLN 74 -1.772 -14.390 7.153 540 HG2 GLN 74 HG2 GLN 74 0.131 -15.481 6.145 541 HG3 GLN 74 HG1 GLN 74 0.744 -13.932 5.564 542 HE21 GLN 74 HE21 GLN 74 1.651 -12.496 7.018 543 HE22 GLN 74 HE22 GLN 74 2.134 -12.962 8.610 544 H ARG 75 HN ARG 75 -3.192 -11.699 5.185 545 HA ARG 75 HA ARG 75 -5.700 -12.868 6.101 546 HB2 ARG 75 HB2 ARG 75 -4.883 -9.981 5.768 547 HB3 ARG 75 HB1 ARG 75 -6.392 -10.534 6.473 548 HG2 ARG 75 HG2 ARG 75 -5.098 -11.670 8.246 549 HG3 ARG 75 HG1 ARG 75 -3.625 -10.976 7.566 550 HD2 ARG 75 HD2 ARG 75 -4.489 -8.732 7.943 551 HD3 ARG 75 HD1 ARG 75 -5.990 -9.403 8.578 552 HE ARG 75 HE ARG 75 -3.467 -10.077 9.909 553 HH11 ARG 75 HH11 ARG 75 -6.517 -8.350 9.932 554 HH12 ARG 75 HH12 ARG 75 -6.481 -8.054 11.639 555 HH21 ARG 75 HH21 ARG 75 -3.415 -9.669 12.164 556 HH22 ARG 75 HH22 ARG 75 -4.718 -8.801 12.911 557 H ALA 76 HN ALA 76 -4.370 -12.510 3.213 558 HA ALA 76 HA ALA 76 -5.081 -12.407 1.066 559 HB1 ALA 76 HB1 ALA 76 -7.822 -12.864 2.240 560 HB2 ALA 76 HB2 ALA 76 -6.659 -14.126 1.844 561 HB3 ALA 76 HB3 ALA 76 -7.342 -13.123 0.564 562 H ILE 77 HN ILE 77 -4.858 -9.949 2.539 563 HA ILE 77 HA ILE 77 -7.018 -8.263 1.555 564 HB ILE 77 HB ILE 77 -4.520 -7.572 3.118 565 HG12 ILE 77 HG12 ILE 77 -7.364 -7.673 4.116 566 HG13 ILE 77 HG11 ILE 77 -6.278 -9.054 4.222 567 HG21 ILE 77 HG21 ILE 77 -5.320 -5.670 1.837 568 HG22 ILE 77 HG22 ILE 77 -5.641 -5.430 3.555 569 HG23 ILE 77 HG23 ILE 77 -6.949 -5.907 2.472 570 HD11 ILE 77 HD11 ILE 77 -4.769 -7.809 5.621 571 HD12 ILE 77 HD12 ILE 77 -6.396 -7.766 6.303 572 HD13 ILE 77 HD13 ILE 77 -5.760 -6.358 5.452 573 HA PRO 78 HA PRO 78 -4.726 -7.337 -2.123 574 HB2 PRO 78 HB2 PRO 78 -6.280 -5.305 -3.012 575 HB3 PRO 78 HB1 PRO 78 -6.697 -7.007 -3.184 576 HG2 PRO 78 HG2 PRO 78 -7.750 -4.974 -1.322 577 HG3 PRO 78 HG1 PRO 78 -8.543 -6.401 -1.998 578 HD2 PRO 78 HD2 PRO 78 -7.510 -6.171 0.576 579 HD3 PRO 78 HD1 PRO 78 -7.935 -7.681 -0.237 580 H PHE 79 HN PHE 79 -3.178 -5.970 -2.749 581 HA PHE 79 HA PHE 79 -3.022 -3.259 -1.809 582 HB2 PHE 79 HB2 PHE 79 -0.819 -3.498 -0.733 583 HB3 PHE 79 HB1 PHE 79 -2.092 -4.326 0.137 584 HD1 PHE 79 HD2 PHE 79 -2.226 -6.789 0.074 585 HD2 PHE 79 HD1 PHE 79 1.016 -4.656 -1.645 586 HE1 PHE 79 HE2 PHE 79 -0.899 -8.855 0.037 587 HE2 PHE 79 HE1 PHE 79 2.361 -6.722 -1.689 588 HZ PHE 79 HZ PHE 79 1.415 -8.816 -0.818 589 H ILE 80 HN ILE 80 -1.225 -2.136 -2.706 590 HA ILE 80 HA ILE 80 -0.099 -3.455 -5.089 591 HB ILE 80 HB ILE 80 -1.095 -0.613 -4.875 592 HG12 ILE 80 HG12 ILE 80 -2.007 -2.998 -6.481 593 HG13 ILE 80 HG11 ILE 80 -2.906 -2.150 -5.229 594 HG21 ILE 80 HG21 ILE 80 0.301 -1.951 -7.185 595 HG22 ILE 80 HG22 ILE 80 0.963 -0.671 -6.166 596 HG23 ILE 80 HG23 ILE 80 -0.423 -0.341 -7.205 597 HD11 ILE 80 HD11 ILE 80 -3.733 -1.595 -7.433 598 HD12 ILE 80 HD12 ILE 80 -2.131 -1.034 -7.910 599 HD13 ILE 80 HD13 ILE 80 -3.028 -0.178 -6.655 600 H LEU 81 HN LEU 81 2.038 -3.085 -5.475 601 HA LEU 81 HA LEU 81 3.510 -1.801 -3.315 602 HB2 LEU 81 HB2 LEU 81 4.516 -3.337 -5.713 603 HB3 LEU 81 HB1 LEU 81 5.529 -2.686 -4.444 604 HG LEU 81 HG LEU 81 5.368 -4.924 -3.886 605 HD11 LEU 81 HD11 LEU 81 3.109 -3.620 -2.377 606 HD12 LEU 81 HD12 LEU 81 4.822 -3.518 -1.974 607 HD13 LEU 81 HD13 LEU 81 3.985 -5.069 -1.884 608 HD21 LEU 81 HD21 LEU 81 2.420 -4.856 -4.490 609 HD22 LEU 81 HD22 LEU 81 3.368 -6.264 -4.010 610 HD23 LEU 81 HD23 LEU 81 3.668 -5.487 -5.564 611 H HIS 82 HN HIS 82 3.854 0.256 -3.446 612 HA HIS 82 HA HIS 82 4.193 1.483 -6.090 613 HB2 HIS 82 HB2 HIS 82 2.434 2.460 -4.726 614 HB3 HIS 82 HB1 HIS 82 3.532 2.692 -3.379 615 HD1 HIS 82 HD1 HIS 82 3.192 5.228 -3.301 616 HD2 HIS 82 HD2 HIS 82 4.510 3.858 -6.995 617 HE1 HIS 82 HE1 HIS 82 3.635 7.289 -4.680 618 HE2 HIS 82 HE2 HIS 82 4.629 6.438 -6.812 619 H THR 83 HN THR 83 6.189 2.194 -6.705 620 HA THR 83 HA THR 83 8.180 3.130 -4.945 621 HB THR 83 HB THR 83 8.265 0.765 -4.193 622 HG1 THR 83 HG1 THR 83 10.212 1.990 -4.195 623 HG21 THR 83 HG21 THR 83 9.054 0.179 -7.050 624 HG22 THR 83 HG22 THR 83 7.550 -0.313 -6.269 625 HG23 THR 83 HG23 THR 83 9.090 -0.972 -5.715 626 H GLY 84 HN GLY 84 10.225 3.521 -6.038 627 HA2 GLY 84 HA2 GLY 84 10.044 3.328 -8.982 628 HA3 GLY 84 HA1 GLY 84 10.906 4.607 -8.127 629 H ASP 85 HN ASP 85 11.135 1.595 -6.665 630 HA ASP 85 HA ASP 85 13.854 1.209 -7.729 631 HB2 ASP 85 HB2 ASP 85 12.691 0.757 -4.980 632 HB3 ASP 85 HB1 ASP 85 14.204 0.018 -5.476 633 H LEU 86 HN LEU 86 11.986 0.096 -9.261 634 HA LEU 86 HA LEU 86 10.996 -2.405 -8.318 635 HB2 LEU 86 HB2 LEU 86 11.092 -1.217 -11.082 636 HB3 LEU 86 HB1 LEU 86 10.375 -2.776 -10.734 637 HG LEU 86 HG LEU 86 8.883 -1.491 -9.063 638 HD11 LEU 86 HD11 LEU 86 8.486 0.837 -9.599 639 HD12 LEU 86 HD12 LEU 86 9.765 0.796 -10.810 640 HD13 LEU 86 HD13 LEU 86 10.161 0.595 -9.104 641 HD21 LEU 86 HD21 LEU 86 8.542 -1.029 -12.021 642 HD22 LEU 86 HD22 LEU 86 7.269 -0.999 -10.800 643 HD23 LEU 86 HD23 LEU 86 8.110 -2.506 -11.161 644 H ASP 87 HN ASP 87 13.841 -1.450 -10.108 645 HA ASP 87 HA ASP 87 14.505 -4.193 -10.766 646 HB2 ASP 87 HB2 ASP 87 16.151 -1.668 -11.045 647 HB3 ASP 87 HB1 ASP 87 16.605 -3.250 -11.662 648 H ARG 88 HN ARG 88 15.352 -1.761 -8.427 649 HA ARG 88 HA ARG 88 17.528 -3.094 -7.211 650 HB2 ARG 88 HB2 ARG 88 17.152 -0.734 -6.915 651 HB3 ARG 88 HB1 ARG 88 15.616 -1.052 -6.128 652 HG2 ARG 88 HG2 ARG 88 16.657 -1.943 -4.216 653 HG3 ARG 88 HG1 ARG 88 18.219 -2.060 -5.036 654 HD2 ARG 88 HD2 ARG 88 18.388 0.311 -5.163 655 HD3 ARG 88 HD1 ARG 88 16.766 0.513 -4.513 656 HE ARG 88 HE ARG 88 18.749 -0.830 -2.837 657 HH11 ARG 88 HH11 ARG 88 16.845 2.035 -3.530 658 HH12 ARG 88 HH12 ARG 88 17.150 2.762 -1.979 659 HH21 ARG 88 HH21 ARG 88 19.142 0.134 -0.795 660 HH22 ARG 88 HH22 ARG 88 18.455 1.687 -0.435 661 H HIS 89 HN HIS 89 14.051 -3.250 -6.757 662 HA HIS 89 HA HIS 89 14.465 -5.272 -4.649 663 HB2 HIS 89 HB2 HIS 89 12.264 -3.238 -4.977 664 HB3 HIS 89 HB1 HIS 89 12.130 -4.614 -3.891 665 HD1 HIS 89 HD1 HIS 89 14.025 -4.668 -1.931 666 HD2 HIS 89 HD2 HIS 89 13.479 -1.061 -3.917 667 HE1 HIS 89 HE1 HIS 89 15.042 -2.917 -0.444 668 HE2 HIS 89 HE2 HIS 89 14.527 -0.726 -1.578 669 H GLY 90 HN GLY 90 14.323 -5.709 -7.541 670 HA2 GLY 90 HA2 GLY 90 11.770 -6.533 -8.382 671 HA3 GLY 90 HA1 GLY 90 13.288 -7.074 -9.070 672 H GLU 91 HN GLU 91 14.350 -8.311 -6.763 673 HA GLU 91 HA GLU 91 13.204 -10.868 -6.892 674 HB2 GLU 91 HB2 GLU 91 14.973 -9.670 -4.750 675 HB3 GLU 91 HB1 GLU 91 14.657 -11.387 -4.961 676 HG2 GLU 91 HG2 GLU 91 15.850 -11.474 -6.973 677 HG3 GLU 91 HG1 GLU 91 15.856 -9.718 -7.142 678 H LEU 92 HN LEU 92 12.937 -8.303 -4.473 679 HA LEU 92 HA LEU 92 11.290 -9.658 -2.646 680 HB2 LEU 92 HB2 LEU 92 12.484 -7.581 -2.116 681 HB3 LEU 92 HB1 LEU 92 11.457 -6.704 -3.233 682 HG LEU 92 HG LEU 92 9.493 -7.377 -1.796 683 HD11 LEU 92 HD11 LEU 92 9.957 -8.045 0.496 684 HD12 LEU 92 HD12 LEU 92 11.682 -8.126 0.137 685 HD13 LEU 92 HD13 LEU 92 10.564 -9.248 -0.642 686 HD21 LEU 92 HD21 LEU 92 9.902 -5.635 -0.162 687 HD22 LEU 92 HD22 LEU 92 10.502 -5.148 -1.747 688 HD23 LEU 92 HD23 LEU 92 11.629 -5.693 -0.507 689 H LEU 93 HN LEU 93 10.531 -7.551 -5.383 690 HA LEU 93 HA LEU 93 7.767 -7.420 -5.041 691 HB2 LEU 93 HB2 LEU 93 9.424 -7.291 -7.557 692 HB3 LEU 93 HB1 LEU 93 7.739 -6.829 -7.454 693 HG LEU 93 HG LEU 93 9.901 -5.523 -5.817 694 HD11 LEU 93 HD11 LEU 93 10.395 -5.153 -8.147 695 HD12 LEU 93 HD12 LEU 93 9.755 -3.676 -7.427 696 HD13 LEU 93 HD13 LEU 93 8.724 -4.674 -8.454 697 HD21 LEU 93 HD21 LEU 93 7.053 -4.766 -6.451 698 HD22 LEU 93 HD22 LEU 93 8.204 -3.746 -5.590 699 HD23 LEU 93 HD23 LEU 93 7.686 -5.277 -4.887 700 H ARG 94 HN ARG 94 9.763 -9.791 -6.738 701 HA ARG 94 HA ARG 94 7.562 -11.246 -7.806 702 HB2 ARG 94 HB2 ARG 94 10.459 -11.962 -7.396 703 HB3 ARG 94 HB1 ARG 94 9.300 -13.070 -8.116 704 HG2 ARG 94 HG2 ARG 94 8.858 -11.439 -9.892 705 HG3 ARG 94 HG1 ARG 94 10.054 -10.355 -9.176 706 HD2 ARG 94 HD2 ARG 94 11.802 -11.971 -9.558 707 HD3 ARG 94 HD1 ARG 94 10.632 -13.149 -10.145 708 HE ARG 94 HE ARG 94 10.318 -10.975 -11.780 709 HH11 ARG 94 HH11 ARG 94 13.010 -13.012 -10.870 710 HH12 ARG 94 HH12 ARG 94 13.810 -12.872 -12.402 711 HH21 ARG 94 HH21 ARG 94 11.367 -10.778 -13.811 712 HH22 ARG 94 HH22 ARG 94 12.881 -11.587 -14.073 713 H LYS 95 HN LYS 95 9.241 -11.292 -4.756 714 HA LYS 95 HA LYS 95 8.142 -13.774 -3.842 715 HB2 LYS 95 HB2 LYS 95 9.275 -11.438 -2.294 716 HB3 LYS 95 HB1 LYS 95 8.874 -13.001 -1.598 717 HG2 LYS 95 HG2 LYS 95 10.583 -14.075 -2.903 718 HG3 LYS 95 HG1 LYS 95 10.920 -12.572 -3.765 719 HD2 LYS 95 HD2 LYS 95 11.598 -11.532 -1.638 720 HD3 LYS 95 HD1 LYS 95 11.304 -13.061 -0.811 721 HE2 LYS 95 HE2 LYS 95 13.269 -12.688 -3.066 722 HE3 LYS 95 HE1 LYS 95 13.696 -12.648 -1.356 723 HZ1 LYS 95 HZ1 LYS 95 12.524 -14.958 -2.810 724 HZ2 LYS 95 HZ2 LYS 95 12.869 -14.924 -1.157 725 HZ3 LYS 95 HZ3 LYS 95 14.125 -14.816 -2.281 726 H ILE 96 HN ILE 96 7.348 -10.378 -3.426 727 HA ILE 96 HA ILE 96 5.099 -10.665 -1.784 728 HB ILE 96 HB ILE 96 5.766 -8.533 -3.814 729 HG12 ILE 96 HG12 ILE 96 6.094 -8.570 -0.806 730 HG13 ILE 96 HG11 ILE 96 7.399 -8.796 -1.965 731 HG21 ILE 96 HG21 ILE 96 4.178 -7.142 -2.483 732 HG22 ILE 96 HG22 ILE 96 3.653 -8.621 -1.680 733 HG23 ILE 96 HG23 ILE 96 3.429 -8.434 -3.420 734 HD11 ILE 96 HD11 ILE 96 7.074 -6.546 -2.801 735 HD12 ILE 96 HD12 ILE 96 7.344 -6.531 -1.057 736 HD13 ILE 96 HD13 ILE 96 5.715 -6.319 -1.700 737 H ASP 97 HN ASP 97 5.346 -10.291 -5.316 738 HA ASP 97 HA ASP 97 3.995 -10.910 -7.025 739 HB2 ASP 97 HB2 ASP 97 4.214 -13.152 -5.959 740 HB3 ASP 97 HB1 ASP 97 2.751 -12.824 -5.038 741 H ALA 98 HN ALA 98 3.155 -8.736 -6.756 742 HA ALA 98 HA ALA 98 0.286 -8.766 -6.781 743 HB1 ALA 98 HB1 ALA 98 1.701 -7.095 -4.698 744 HB2 ALA 98 HB2 ALA 98 0.681 -8.496 -4.374 745 HB3 ALA 98 HB3 ALA 98 -0.021 -7.035 -5.071 746 HA PRO 99 HA PRO 99 0.822 -5.450 -9.691 747 HB2 PRO 99 HB2 PRO 99 -0.938 -3.675 -8.100 748 HB3 PRO 99 HB1 PRO 99 -1.074 -4.175 -9.784 749 HG2 PRO 99 HG2 PRO 99 -2.688 -5.186 -7.930 750 HG3 PRO 99 HG1 PRO 99 -2.047 -6.194 -9.237 751 HD2 PRO 99 HD2 PRO 99 -1.196 -6.039 -6.377 752 HD3 PRO 99 HD1 PRO 99 -1.346 -7.461 -7.431 753 H VAL 100 HN VAL 100 2.194 -3.771 -10.051 754 HA VAL 100 HA VAL 100 3.235 -2.345 -7.693 755 HB VAL 100 HB VAL 100 4.859 -3.136 -10.116 756 HG11 VAL 100 HG11 VAL 100 6.778 -2.509 -8.714 757 HG12 VAL 100 HG12 VAL 100 5.668 -1.995 -7.443 758 HG13 VAL 100 HG13 VAL 100 5.687 -1.152 -8.991 759 HG21 VAL 100 HG21 VAL 100 5.923 -4.814 -8.685 760 HG22 VAL 100 HG22 VAL 100 4.200 -5.133 -8.889 761 HG23 VAL 100 HG23 VAL 100 4.793 -4.423 -7.389 762 H MET 101 HN MET 101 3.002 -0.218 -7.798 763 HA MET 101 HA MET 101 2.616 1.082 -10.411 764 HB2 MET 101 HB2 MET 101 1.981 1.993 -7.597 765 HB3 MET 101 HB1 MET 101 1.907 3.069 -8.984 766 HG2 MET 101 HG2 MET 101 0.343 0.515 -8.832 767 HG3 MET 101 HG1 MET 101 -0.267 2.043 -8.206 768 HE1 MET 101 HE1 MET 101 -1.278 3.951 -9.673 769 HE2 MET 101 HE2 MET 101 -0.811 4.201 -11.355 770 HE3 MET 101 HE3 MET 101 0.409 4.272 -10.082 771 H ALA 102 HN ALA 102 4.418 1.834 -11.269 772 HA ALA 102 HA ALA 102 6.805 2.151 -9.724 773 HB1 ALA 102 HB1 ALA 102 7.859 2.685 -11.855 774 HB2 ALA 102 HB2 ALA 102 6.274 2.793 -12.621 775 HB3 ALA 102 HB3 ALA 102 6.846 1.247 -11.992 776 H LYS 103 HN LYS 103 7.966 3.992 -9.276 777 HA LYS 103 HA LYS 103 6.507 6.516 -9.365 778 HB2 LYS 103 HB2 LYS 103 9.117 5.728 -8.055 779 HB3 LYS 103 HB1 LYS 103 8.485 7.364 -8.038 780 HG2 LYS 103 HG2 LYS 103 6.482 6.550 -6.865 781 HG3 LYS 103 HG1 LYS 103 7.184 4.937 -6.829 782 HD2 LYS 103 HD2 LYS 103 8.925 5.615 -5.381 783 HD3 LYS 103 HD1 LYS 103 8.592 7.326 -5.658 784 HE2 LYS 103 HE2 LYS 103 6.539 7.199 -4.447 785 HE3 LYS 103 HE1 LYS 103 6.633 5.443 -4.359 786 HZ1 LYS 103 HZ1 LYS 103 8.479 5.600 -2.871 787 HZ2 LYS 103 HZ2 LYS 103 7.237 6.577 -2.265 788 HZ3 LYS 103 HZ3 LYS 103 8.566 7.282 -3.051 789 HA PRO 104 HA PRO 104 7.072 8.778 -9.301 790 HB2 PRO 104 HB2 PRO 104 6.264 10.266 -11.687 791 HB3 PRO 104 HB1 PRO 104 7.131 10.834 -10.259 792 HG2 PRO 104 HG2 PRO 104 8.325 10.596 -12.669 793 HG3 PRO 104 HG1 PRO 104 9.194 10.334 -11.146 794 HD2 PRO 104 HD2 PRO 104 8.055 8.319 -13.051 795 HD3 PRO 104 HD1 PRO 104 9.617 8.308 -12.202 796 H ALA 105 HN ALA 105 5.007 8.591 -8.734 797 HA ALA 105 HA ALA 105 3.029 7.711 -10.721 798 HB1 ALA 105 HB1 ALA 105 3.246 6.618 -7.904 799 HB2 ALA 105 HB2 ALA 105 3.736 5.756 -9.372 800 HB3 ALA 105 HB3 ALA 105 2.039 6.176 -9.121 801 H ASP 106 HN ASP 106 1.124 8.789 -10.583 802 HA ASP 106 HA ASP 106 0.900 10.910 -8.640 803 HB2 ASP 106 HB2 ASP 106 0.073 11.114 -11.026 804 HB3 ASP 106 HB1 ASP 106 -1.217 9.991 -10.601 805 H THR 107 HN THR 107 -0.299 10.907 -6.850 806 HA THR 107 HA THR 107 -0.739 8.393 -5.670 807 HB THR 107 HB THR 107 -1.698 9.774 -3.779 808 HG1 THR 107 HG1 THR 107 -1.173 12.097 -4.094 809 HG21 THR 107 HG21 THR 107 1.004 10.572 -4.872 810 HG22 THR 107 HG22 THR 107 0.669 9.098 -3.958 811 HG23 THR 107 HG23 THR 107 0.489 10.674 -3.186 812 H SER 108 HN SER 108 -2.864 10.519 -7.426 813 HA SER 108 HA SER 108 -5.283 9.383 -6.403 814 HB2 SER 108 HB2 SER 108 -6.383 10.525 -8.280 815 HB3 SER 108 HB1 SER 108 -5.260 11.611 -7.465 816 HG SER 108 HG SER 108 -3.795 11.331 -9.136 817 H ASP 109 HN ASP 109 -3.061 8.664 -9.005 818 HA ASP 109 HA ASP 109 -4.665 6.679 -10.288 819 HB2 ASP 109 HB2 ASP 109 -1.680 7.160 -10.327 820 HB3 ASP 109 HB1 ASP 109 -2.489 5.946 -11.309 821 H VAL 110 HN VAL 110 -2.051 6.634 -7.940 822 HA VAL 110 HA VAL 110 -1.892 3.866 -7.568 823 HB VAL 110 HB VAL 110 -1.413 5.977 -5.456 824 HG11 VAL 110 HG11 VAL 110 -0.188 3.244 -5.808 825 HG12 VAL 110 HG12 VAL 110 -1.486 3.631 -4.680 826 HG13 VAL 110 HG13 VAL 110 0.103 4.376 -4.485 827 HG21 VAL 110 HG21 VAL 110 0.902 6.020 -6.236 828 HG22 VAL 110 HG22 VAL 110 -0.210 6.536 -7.506 829 HG23 VAL 110 HG23 VAL 110 0.486 4.914 -7.547 830 H ALA 111 HN ALA 111 -3.855 6.332 -5.964 831 HA ALA 111 HA ALA 111 -5.058 4.694 -4.036 832 HB1 ALA 111 HB1 ALA 111 -6.708 6.453 -3.802 833 HB2 ALA 111 HB2 ALA 111 -6.203 7.160 -5.338 834 HB3 ALA 111 HB3 ALA 111 -5.095 7.147 -3.965 835 H LYS 112 HN LYS 112 -6.222 5.675 -7.253 836 HA LYS 112 HA LYS 112 -8.655 4.302 -7.142 837 HB2 LYS 112 HB2 LYS 112 -6.945 5.102 -9.489 838 HB3 LYS 112 HB1 LYS 112 -8.516 4.336 -9.675 839 HG2 LYS 112 HG2 LYS 112 -9.499 6.207 -8.350 840 HG3 LYS 112 HG1 LYS 112 -7.922 6.997 -8.414 841 HD2 LYS 112 HD2 LYS 112 -8.006 7.055 -10.829 842 HD3 LYS 112 HD1 LYS 112 -9.521 6.151 -10.828 843 HE2 LYS 112 HE2 LYS 112 -9.924 8.524 -11.187 844 HE3 LYS 112 HE1 LYS 112 -10.619 7.991 -9.659 845 HZ1 LYS 112 HZ1 LYS 112 -9.367 10.158 -9.635 846 HZ2 LYS 112 HZ2 LYS 112 -7.950 9.252 -9.819 847 HZ3 LYS 112 HZ3 LYS 112 -8.927 9.031 -8.450 848 H ARG 113 HN ARG 113 -5.524 3.275 -8.466 849 HA ARG 113 HA ARG 113 -6.396 0.834 -9.509 850 HB2 ARG 113 HB2 ARG 113 -3.673 1.687 -8.561 851 HB3 ARG 113 HB1 ARG 113 -3.991 0.179 -9.415 852 HG2 ARG 113 HG2 ARG 113 -4.446 2.967 -10.445 853 HG3 ARG 113 HG1 ARG 113 -3.226 1.814 -10.977 854 HD2 ARG 113 HD2 ARG 113 -6.189 1.342 -11.179 855 HD3 ARG 113 HD1 ARG 113 -5.211 1.983 -12.475 856 HE ARG 113 HE ARG 113 -3.893 -0.216 -12.108 857 HH11 ARG 113 HH11 ARG 113 -7.373 0.199 -11.924 858 HH12 ARG 113 HH12 ARG 113 -7.722 -1.437 -12.389 859 HH21 ARG 113 HH21 ARG 113 -4.354 -2.365 -12.735 860 HH22 ARG 113 HH22 ARG 113 -5.999 -2.895 -12.847 861 H ALA 114 HN ALA 114 -5.201 1.671 -6.295 862 HA ALA 114 HA ALA 114 -5.091 -0.989 -5.314 863 HB1 ALA 114 HB1 ALA 114 -4.992 0.053 -3.088 864 HB2 ALA 114 HB2 ALA 114 -5.377 1.614 -3.817 865 HB3 ALA 114 HB3 ALA 114 -3.862 0.804 -4.221 866 H LEU 115 HN LEU 115 -7.532 1.583 -5.069 867 HA LEU 115 HA LEU 115 -9.344 0.109 -3.506 868 HB2 LEU 115 HB2 LEU 115 -9.716 2.489 -5.292 869 HB3 LEU 115 HB1 LEU 115 -10.999 1.822 -4.298 870 HG LEU 115 HG LEU 115 -8.392 2.967 -3.305 871 HD11 LEU 115 HD11 LEU 115 -9.947 4.657 -4.048 872 HD12 LEU 115 HD12 LEU 115 -9.821 4.661 -2.287 873 HD13 LEU 115 HD13 LEU 115 -11.226 3.936 -3.070 874 HD21 LEU 115 HD21 LEU 115 -9.005 1.153 -1.880 875 HD22 LEU 115 HD22 LEU 115 -10.683 1.683 -1.829 876 HD23 LEU 115 HD23 LEU 115 -9.427 2.654 -1.059 877 H GLU 116 HN GLU 116 -8.755 0.128 -6.932 878 HA GLU 116 HA GLU 116 -11.173 -0.939 -7.847 879 HB2 GLU 116 HB2 GLU 116 -8.351 -1.268 -8.847 880 HB3 GLU 116 HB1 GLU 116 -9.735 -1.956 -9.683 881 HG2 GLU 116 HG2 GLU 116 -9.315 0.965 -9.099 882 HG3 GLU 116 HG1 GLU 116 -9.038 0.173 -10.649 883 H MET 117 HN MET 117 -8.511 -2.447 -6.176 884 HA MET 117 HA MET 117 -9.522 -5.125 -6.659 885 HB2 MET 117 HB2 MET 117 -7.223 -4.194 -4.933 886 HB3 MET 117 HB1 MET 117 -7.579 -5.858 -5.370 887 HG2 MET 117 HG2 MET 117 -7.273 -5.196 -7.762 888 HG3 MET 117 HG1 MET 117 -6.704 -3.635 -7.188 889 HE1 MET 117 HE1 MET 117 -5.060 -4.713 -4.469 890 HE2 MET 117 HE2 MET 117 -4.677 -3.365 -5.541 891 HE3 MET 117 HE3 MET 117 -3.464 -4.605 -5.219 892 H CYS 118 HN CYS 118 -10.505 -2.726 -4.748 893 HA CYS 118 HA CYS 118 -11.132 -4.493 -2.476 894 HB2 CYS 118 HB2 CYS 118 -9.617 -2.695 -1.830 895 HB3 CYS 118 HB1 CYS 118 -10.723 -1.498 -2.492 896 HG CYS 118 HG CYS 118 -12.709 -2.794 -0.532 897 H GLY 119 HN GLY 119 -12.327 -1.698 -4.339 898 HA2 GLY 119 HA2 GLY 119 -14.949 -1.869 -3.176 899 HA3 GLY 119 HA1 GLY 119 -14.450 -0.807 -4.483 900 H GLY 120 HN GLY 120 -15.910 -3.788 -3.624 901 HA2 GLY 120 HA2 GLY 120 -17.506 -4.896 -4.947 902 HA3 GLY 120 HA1 GLY 120 -16.879 -4.062 -6.362 903 H ASP 121 HN ASP 121 -15.074 -4.861 -7.429 904 HA ASP 121 HA ASP 121 -13.802 -6.492 -8.365 905 HB2 ASP 121 HB2 ASP 121 -12.661 -6.098 -6.108 906 HB3 ASP 121 HB1 ASP 121 -13.449 -7.575 -5.566 907 H LYS 122 HN LYS 122 -13.489 -9.268 -7.445 908 HA LYS 122 HA LYS 122 -16.210 -10.206 -8.012 909 HB2 LYS 122 HB2 LYS 122 -15.178 -12.183 -9.082 910 HB3 LYS 122 HB1 LYS 122 -14.803 -10.686 -9.909 911 HG2 LYS 122 HG2 LYS 122 -12.900 -11.880 -7.929 912 HG3 LYS 122 HG1 LYS 122 -12.951 -12.435 -9.602 913 HD2 LYS 122 HD2 LYS 122 -12.408 -10.248 -10.408 914 HD3 LYS 122 HD1 LYS 122 -12.576 -9.556 -8.796 915 HE2 LYS 122 HE2 LYS 122 -10.702 -11.041 -8.065 916 HE3 LYS 122 HE1 LYS 122 -10.474 -11.483 -9.755 917 HZ1 LYS 122 HZ1 LYS 122 -8.983 -9.700 -9.056 918 HZ2 LYS 122 HZ2 LYS 122 -10.313 -8.724 -8.669 919 HZ3 LYS 122 HZ3 LYS 122 -10.034 -9.181 -10.275 920 H GLU 123 HN GLU 123 -17.136 -11.337 -6.466 921 HA GLU 123 HA GLU 123 -15.697 -11.961 -4.077 922 HB2 GLU 123 HB2 GLU 123 -18.028 -11.164 -4.047 923 HB3 GLU 123 HB1 GLU 123 -18.538 -12.634 -4.862 924 HG2 GLU 123 HG2 GLU 123 -17.904 -13.966 -2.968 925 HG3 GLU 123 HG1 GLU 123 -17.215 -12.558 -2.162 926 HA PRO 124 HA PRO 124 -14.577 -16.040 -5.510 927 HB2 PRO 124 HB2 PRO 124 -12.963 -16.661 -3.450 928 HB3 PRO 124 HB1 PRO 124 -12.479 -15.521 -4.708 929 HG2 PRO 124 HG2 PRO 124 -13.498 -14.984 -1.951 930 HG3 PRO 124 HG1 PRO 124 -12.200 -14.172 -2.844 931 HD2 PRO 124 HD2 PRO 124 -14.749 -13.185 -2.593 932 HD3 PRO 124 HD1 PRO 124 -13.656 -12.788 -3.934 933 H ALA 125 HN ALA 125 -14.538 -18.261 -4.469 934 HA ALA 125 HA ALA 125 -17.042 -18.657 -3.083 935 HB1 ALA 125 HB1 ALA 125 -16.640 -21.033 -3.458 936 HB2 ALA 125 HB2 ALA 125 -15.014 -20.677 -4.042 937 HB3 ALA 125 HB3 ALA 125 -16.419 -20.118 -4.950 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 -28.267 6.499 2.756 2 H2 GLY 1 HT2 GLY 1 -28.254 4.824 2.528 3 H3 GLY 1 HT3 GLY 1 -28.969 5.828 1.370 4 HA2 GLY 1 HA1 GLY 1 -26.825 5.069 0.597 5 HA3 GLY 1 HA2 GLY 1 -26.833 6.810 0.848 6 H ALA 2 HN ALA 2 -25.980 3.740 2.401 7 HA ALA 2 HA ALA 2 -24.256 5.052 4.307 8 HB1 ALA 2 HB1 ALA 2 -24.634 2.118 3.703 9 HB2 ALA 2 HB2 ALA 2 -25.468 3.035 4.958 10 HB3 ALA 2 HB3 ALA 2 -23.726 2.782 5.062 11 H MET 3 HN MET 3 -22.278 5.709 3.817 12 HA MET 3 HA MET 3 -21.062 4.941 1.329 13 HB2 MET 3 HB2 MET 3 -19.998 6.667 3.567 14 HB3 MET 3 HB1 MET 3 -19.256 6.477 1.986 15 HG2 MET 3 HG2 MET 3 -21.241 7.461 0.945 16 HG3 MET 3 HG1 MET 3 -21.961 7.675 2.540 17 HE1 MET 3 HE1 MET 3 -20.878 9.199 4.432 18 HE2 MET 3 HE2 MET 3 -19.485 10.250 4.179 19 HE3 MET 3 HE3 MET 3 -19.273 8.500 4.217 20 H GLY 4 HN GLY 4 -19.950 3.153 1.092 21 HA2 GLY 4 HA2 GLY 4 -18.756 1.836 3.398 22 HA3 GLY 4 HA1 GLY 4 -18.875 1.181 1.768 23 H MET 5 HN MET 5 -17.102 3.302 3.892 24 HA MET 5 HA MET 5 -15.134 3.895 1.854 25 HB2 MET 5 HB2 MET 5 -15.289 4.691 4.754 26 HB3 MET 5 HB1 MET 5 -14.027 5.198 3.637 27 HG2 MET 5 HG2 MET 5 -15.588 6.396 2.297 28 HG3 MET 5 HG1 MET 5 -16.944 5.746 3.207 29 HE1 MET 5 HE1 MET 5 -13.882 8.173 3.230 30 HE2 MET 5 HE2 MET 5 -13.500 7.122 4.594 31 HE3 MET 5 HE3 MET 5 -13.922 8.811 4.874 32 HA PRO 6 HA PRO 6 -12.804 0.236 2.848 33 HB2 PRO 6 HB2 PRO 6 -10.810 1.572 1.125 34 HB3 PRO 6 HB1 PRO 6 -11.554 -0.020 0.958 35 HG2 PRO 6 HG2 PRO 6 -12.239 1.965 -0.662 36 HG3 PRO 6 HG1 PRO 6 -13.455 0.828 -0.062 37 HD2 PRO 6 HD2 PRO 6 -12.825 3.601 0.885 38 HD3 PRO 6 HD1 PRO 6 -14.405 2.854 0.595 39 H LYS 7 HN LYS 7 -11.258 -0.212 4.329 40 HA LYS 7 HA LYS 7 -9.878 2.011 5.600 41 HB2 LYS 7 HB2 LYS 7 -10.996 0.031 6.814 42 HB3 LYS 7 HB1 LYS 7 -9.611 -0.913 6.294 43 HG2 LYS 7 HG2 LYS 7 -9.144 -0.239 8.491 44 HG3 LYS 7 HG1 LYS 7 -8.168 0.805 7.457 45 HD2 LYS 7 HD2 LYS 7 -9.724 2.616 7.717 46 HD3 LYS 7 HD1 LYS 7 -10.859 1.576 8.579 47 HE2 LYS 7 HE2 LYS 7 -9.104 1.267 10.337 48 HE3 LYS 7 HE1 LYS 7 -8.136 2.482 9.507 49 HZ1 LYS 7 HZ1 LYS 7 -9.433 3.377 11.377 50 HZ2 LYS 7 HZ2 LYS 7 -10.864 2.951 10.584 51 HZ3 LYS 7 HZ3 LYS 7 -9.837 4.111 9.909 52 H VAL 8 HN VAL 8 -8.164 2.700 4.500 53 HA VAL 8 HA VAL 8 -6.561 0.788 2.967 54 HB VAL 8 HB VAL 8 -6.566 3.811 2.880 55 HG11 VAL 8 HG11 VAL 8 -4.452 2.843 2.142 56 HG12 VAL 8 HG12 VAL 8 -5.331 3.563 0.795 57 HG13 VAL 8 HG13 VAL 8 -5.316 1.811 1.001 58 HG21 VAL 8 HG21 VAL 8 -8.707 2.845 2.159 59 HG22 VAL 8 HG22 VAL 8 -7.849 1.852 0.978 60 HG23 VAL 8 HG23 VAL 8 -7.842 3.611 0.825 61 H LEU 9 HN LEU 9 -4.480 0.373 3.432 62 HA LEU 9 HA LEU 9 -3.256 1.850 5.658 63 HB2 LEU 9 HB2 LEU 9 -3.591 -0.476 6.178 64 HB3 LEU 9 HB1 LEU 9 -2.841 -0.973 4.677 65 HG LEU 9 HG LEU 9 -0.675 -0.192 5.462 66 HD11 LEU 9 HD11 LEU 9 -2.103 0.533 8.019 67 HD12 LEU 9 HD12 LEU 9 -1.527 1.690 6.819 68 HD13 LEU 9 HD13 LEU 9 -0.374 0.683 7.698 69 HD21 LEU 9 HD21 LEU 9 -1.274 -2.467 5.982 70 HD22 LEU 9 HD22 LEU 9 -2.129 -1.943 7.434 71 HD23 LEU 9 HD23 LEU 9 -0.377 -1.772 7.334 72 H VAL 10 HN VAL 10 -1.868 3.337 4.944 73 HA VAL 10 HA VAL 10 -0.417 2.883 2.454 74 HB VAL 10 HB VAL 10 -0.769 5.328 4.181 75 HG11 VAL 10 HG11 VAL 10 1.025 5.056 1.762 76 HG12 VAL 10 HG12 VAL 10 1.567 5.295 3.423 77 HG13 VAL 10 HG13 VAL 10 0.647 6.558 2.605 78 HG21 VAL 10 HG21 VAL 10 -2.579 4.753 2.639 79 HG22 VAL 10 HG22 VAL 10 -1.430 4.731 1.299 80 HG23 VAL 10 HG23 VAL 10 -1.770 6.243 2.149 81 H LEU 11 HN LEU 11 1.535 2.159 2.387 82 HA LEU 11 HA LEU 11 3.288 2.373 4.733 83 HB2 LEU 11 HB2 LEU 11 2.845 0.299 2.743 84 HB3 LEU 11 HB1 LEU 11 4.540 0.739 2.854 85 HG LEU 11 HG LEU 11 4.186 -1.134 4.298 86 HD11 LEU 11 HD11 LEU 11 5.621 0.688 5.189 87 HD12 LEU 11 HD12 LEU 11 4.810 -0.215 6.466 88 HD13 LEU 11 HD13 LEU 11 4.221 1.382 6.006 89 HD21 LEU 11 HD21 LEU 11 1.714 -0.790 4.417 90 HD22 LEU 11 HD22 LEU 11 1.986 0.483 5.608 91 HD23 LEU 11 HD23 LEU 11 2.454 -1.178 5.965 92 H GLU 12 HN GLU 12 4.403 4.182 4.572 93 HA GLU 12 HA GLU 12 6.164 4.660 2.372 94 HB2 GLU 12 HB2 GLU 12 4.128 5.440 1.293 95 HB3 GLU 12 HB1 GLU 12 3.744 6.454 2.675 96 HG2 GLU 12 HG2 GLU 12 4.591 7.733 0.786 97 HG3 GLU 12 HG1 GLU 12 5.626 7.878 2.197 98 H ASP 13 HN ASP 13 7.896 5.556 3.222 99 HA ASP 13 HA ASP 13 7.792 6.646 5.898 100 HB2 ASP 13 HB2 ASP 13 9.589 5.108 5.346 101 HB3 ASP 13 HB1 ASP 13 10.108 6.143 4.029 102 H GLU 14 HN GLU 14 7.920 7.831 2.655 103 HA GLU 14 HA GLU 14 8.811 10.473 3.467 104 HB2 GLU 14 HB2 GLU 14 7.803 9.419 0.820 105 HB3 GLU 14 HB1 GLU 14 8.308 11.080 1.086 106 HG2 GLU 14 HG2 GLU 14 10.533 10.091 1.858 107 HG3 GLU 14 HG1 GLU 14 9.973 8.593 1.120 108 HA PRO 15 HA PRO 15 4.659 11.219 4.956 109 HB2 PRO 15 HB2 PRO 15 5.707 13.939 5.314 110 HB3 PRO 15 HB1 PRO 15 4.941 12.865 6.480 111 HG2 PRO 15 HG2 PRO 15 7.568 13.318 6.567 112 HG3 PRO 15 HG1 PRO 15 6.904 11.706 6.905 113 HD2 PRO 15 HD2 PRO 15 8.230 12.729 4.424 114 HD3 PRO 15 HD1 PRO 15 8.387 11.151 5.218 115 H LEU 16 HN LEU 16 6.288 13.249 2.573 116 HA LEU 16 HA LEU 16 4.001 14.713 1.787 117 HB2 LEU 16 HB2 LEU 16 6.223 15.421 1.135 118 HB3 LEU 16 HB1 LEU 16 6.444 13.948 0.220 119 HG LEU 16 HG LEU 16 4.643 14.645 -1.322 120 HD11 LEU 16 HD11 LEU 16 3.367 16.047 0.191 121 HD12 LEU 16 HD12 LEU 16 3.838 16.953 -1.248 122 HD13 LEU 16 HD13 LEU 16 4.698 17.201 0.273 123 HD21 LEU 16 HD21 LEU 16 6.960 15.119 -1.874 124 HD22 LEU 16 HD22 LEU 16 6.882 16.635 -0.978 125 HD23 LEU 16 HD23 LEU 16 5.912 16.420 -2.435 126 H ILE 17 HN ILE 17 5.487 11.790 0.448 127 HA ILE 17 HA ILE 17 3.473 11.266 -1.464 128 HB ILE 17 HB ILE 17 5.422 9.373 -0.129 129 HG12 ILE 17 HG12 ILE 17 5.567 10.842 -2.762 130 HG13 ILE 17 HG11 ILE 17 6.483 11.221 -1.321 131 HG21 ILE 17 HG21 ILE 17 3.739 9.036 -2.594 132 HG22 ILE 17 HG22 ILE 17 3.650 8.096 -1.100 133 HG23 ILE 17 HG23 ILE 17 5.071 7.980 -2.138 134 HD11 ILE 17 HD11 ILE 17 7.837 10.024 -2.932 135 HD12 ILE 17 HD12 ILE 17 6.692 8.684 -2.908 136 HD13 ILE 17 HD13 ILE 17 7.620 9.076 -1.462 137 H ALA 18 HN ALA 18 3.991 10.166 1.858 138 HA ALA 18 HA ALA 18 1.853 8.367 2.037 139 HB1 ALA 18 HB1 ALA 18 2.058 8.610 4.442 140 HB2 ALA 18 HB2 ALA 18 2.998 10.090 4.235 141 HB3 ALA 18 HB3 ALA 18 3.657 8.542 3.699 142 H MET 19 HN MET 19 2.010 11.820 2.880 143 HA MET 19 HA MET 19 -0.663 12.164 3.607 144 HB2 MET 19 HB2 MET 19 1.259 13.749 3.973 145 HB3 MET 19 HB1 MET 19 1.100 14.200 2.281 146 HG2 MET 19 HG2 MET 19 -1.292 14.782 2.785 147 HG3 MET 19 HG1 MET 19 -0.876 14.592 4.486 148 HE1 MET 19 HE1 MET 19 1.441 16.032 1.631 149 HE2 MET 19 HE2 MET 19 1.006 17.739 1.691 150 HE3 MET 19 HE3 MET 19 -0.187 16.541 1.187 151 H ASN 20 HN ASN 20 0.968 12.472 0.488 152 HA ASN 20 HA ASN 20 -1.214 13.460 -0.963 153 HB2 ASN 20 HB2 ASN 20 1.430 12.259 -1.558 154 HB3 ASN 20 HB1 ASN 20 0.256 12.252 -2.852 155 HD21 ASN 20 HD21 ASN 20 1.495 13.692 -4.064 156 HD22 ASN 20 HD22 ASN 20 1.610 15.367 -3.659 157 H LEU 21 HN LEU 21 -0.045 10.134 -0.446 158 HA LEU 21 HA LEU 21 -2.039 8.866 -1.960 159 HB2 LEU 21 HB2 LEU 21 -0.306 8.014 0.330 160 HB3 LEU 21 HB1 LEU 21 -1.526 6.942 -0.315 161 HG LEU 21 HG LEU 21 0.639 8.163 -2.010 162 HD11 LEU 21 HD11 LEU 21 1.778 6.016 -1.861 163 HD12 LEU 21 HD12 LEU 21 0.589 5.460 -0.682 164 HD13 LEU 21 HD13 LEU 21 1.670 6.797 -0.284 165 HD21 LEU 21 HD21 LEU 21 0.017 6.398 -3.559 166 HD22 LEU 21 HD22 LEU 21 -1.375 7.406 -3.162 167 HD23 LEU 21 HD23 LEU 21 -1.200 5.818 -2.421 168 H GLN 22 HN GLN 22 -1.875 9.740 1.459 169 HA GLN 22 HA GLN 22 -4.298 8.679 2.293 170 HB2 GLN 22 HB2 GLN 22 -2.557 9.671 3.768 171 HB3 GLN 22 HB1 GLN 22 -3.052 11.269 3.224 172 HG2 GLN 22 HG2 GLN 22 -5.330 10.782 4.106 173 HG3 GLN 22 HG1 GLN 22 -4.685 9.294 4.781 174 HE21 GLN 22 HE21 GLN 22 -2.110 10.553 5.389 175 HE22 GLN 22 HE22 GLN 22 -2.384 11.527 6.789 176 H TYR 23 HN TYR 23 -3.625 11.943 1.017 177 HA TYR 23 HA TYR 23 -6.315 12.796 1.064 178 HB2 TYR 23 HB2 TYR 23 -3.825 13.772 -0.247 179 HB3 TYR 23 HB1 TYR 23 -5.368 14.397 -0.822 180 HD1 TYR 23 HD2 TYR 23 -7.007 15.116 1.203 181 HD2 TYR 23 HD1 TYR 23 -2.760 14.973 1.378 182 HE1 TYR 23 HE2 TYR 23 -7.033 16.724 3.067 183 HE2 TYR 23 HE1 TYR 23 -2.774 16.575 3.239 184 HH TYR 23 HH TYR 23 -4.212 18.301 4.157 185 H ALA 24 HN ALA 24 -4.529 10.866 -1.204 186 HA ALA 24 HA ALA 24 -6.311 11.251 -3.404 187 HB1 ALA 24 HB1 ALA 24 -5.139 9.365 -4.423 188 HB2 ALA 24 HB2 ALA 24 -4.337 9.030 -2.888 189 HB3 ALA 24 HB3 ALA 24 -4.004 10.533 -3.748 190 H PHE 25 HN PHE 25 -5.907 8.740 -0.934 191 HA PHE 25 HA PHE 25 -8.053 7.137 -1.883 192 HB2 PHE 25 HB2 PHE 25 -6.498 7.207 0.687 193 HB3 PHE 25 HB1 PHE 25 -7.861 6.118 0.469 194 HD1 PHE 25 HD2 PHE 25 -7.775 4.381 -1.287 195 HD2 PHE 25 HD1 PHE 25 -4.392 6.757 -0.300 196 HE1 PHE 25 HE2 PHE 25 -6.312 2.748 -2.395 197 HE2 PHE 25 HE1 PHE 25 -2.920 5.130 -1.415 198 HZ PHE 25 HZ PHE 25 -3.878 3.122 -2.460 199 H GLU 26 HN GLU 26 -7.781 9.570 0.705 200 HA GLU 26 HA GLU 26 -10.439 9.393 1.611 201 HB2 GLU 26 HB2 GLU 26 -8.582 11.775 1.538 202 HB3 GLU 26 HB1 GLU 26 -10.119 11.748 2.387 203 HG2 GLU 26 HG2 GLU 26 -9.243 9.846 3.743 204 HG3 GLU 26 HG1 GLU 26 -7.674 10.102 2.976 205 H ASP 27 HN ASP 27 -8.962 11.121 -1.051 206 HA ASP 27 HA ASP 27 -11.160 12.672 -1.859 207 HB2 ASP 27 HB2 ASP 27 -8.881 13.072 -2.638 208 HB3 ASP 27 HB1 ASP 27 -8.894 11.534 -3.478 209 H GLU 28 HN GLU 28 -10.261 9.357 -2.455 210 HA GLU 28 HA GLU 28 -12.393 8.931 -4.368 211 HB2 GLU 28 HB2 GLU 28 -10.363 7.099 -3.104 212 HB3 GLU 28 HB1 GLU 28 -11.626 6.521 -4.179 213 HG2 GLU 28 HG2 GLU 28 -9.516 8.537 -4.900 214 HG3 GLU 28 HG1 GLU 28 -9.490 6.827 -5.325 215 H GLY 29 HN GLY 29 -12.486 9.434 -1.205 216 HA2 GLY 29 HA2 GLY 29 -14.212 9.093 0.297 217 HA3 GLY 29 HA1 GLY 29 -14.986 8.049 -0.887 218 H ALA 30 HN ALA 30 -11.867 7.917 0.843 219 HA ALA 30 HA ALA 30 -12.723 5.382 2.044 220 HB1 ALA 30 HB1 ALA 30 -10.070 5.779 0.649 221 HB2 ALA 30 HB2 ALA 30 -11.429 4.859 0.006 222 HB3 ALA 30 HB3 ALA 30 -10.613 4.317 1.472 223 H GLU 31 HN GLU 31 -11.261 4.710 3.818 224 HA GLU 31 HA GLU 31 -10.255 7.057 5.275 225 HB2 GLU 31 HB2 GLU 31 -11.997 5.690 6.391 226 HB3 GLU 31 HB1 GLU 31 -10.929 4.295 6.305 227 HG2 GLU 31 HG2 GLU 31 -10.891 5.306 8.509 228 HG3 GLU 31 HG1 GLU 31 -9.316 5.417 7.731 229 H VAL 32 HN VAL 32 -8.139 6.995 6.188 230 HA VAL 32 HA VAL 32 -6.418 4.939 4.956 231 HB VAL 32 HB VAL 32 -5.717 7.862 5.152 232 HG11 VAL 32 HG11 VAL 32 -3.805 6.327 5.149 233 HG12 VAL 32 HG12 VAL 32 -3.869 7.296 3.677 234 HG13 VAL 32 HG13 VAL 32 -4.390 5.612 3.645 235 HG21 VAL 32 HG21 VAL 32 -6.583 6.345 2.695 236 HG22 VAL 32 HG22 VAL 32 -6.110 8.047 2.776 237 HG23 VAL 32 HG23 VAL 32 -7.583 7.500 3.579 238 H VAL 33 HN VAL 33 -4.747 4.195 6.153 239 HA VAL 33 HA VAL 33 -4.087 5.584 8.669 240 HB VAL 33 HB VAL 33 -3.517 2.703 8.028 241 HG11 VAL 33 HG11 VAL 33 -3.055 2.535 10.434 242 HG12 VAL 33 HG12 VAL 33 -3.353 4.265 10.596 243 HG13 VAL 33 HG13 VAL 33 -1.995 3.691 9.629 244 HG21 VAL 33 HG21 VAL 33 -5.737 3.806 9.737 245 HG22 VAL 33 HG22 VAL 33 -5.322 2.102 9.560 246 HG23 VAL 33 HG23 VAL 33 -5.932 3.009 8.176 247 H VAL 34 HN VAL 34 -2.061 6.439 8.741 248 HA VAL 34 HA VAL 34 -0.268 5.764 6.532 249 HB VAL 34 HB VAL 34 -0.068 8.017 8.535 250 HG11 VAL 34 HG11 VAL 34 1.680 8.881 7.011 251 HG12 VAL 34 HG12 VAL 34 1.586 7.375 6.095 252 HG13 VAL 34 HG13 VAL 34 2.128 7.354 7.771 253 HG21 VAL 34 HG21 VAL 34 -0.674 9.448 6.641 254 HG22 VAL 34 HG22 VAL 34 -1.945 8.279 6.997 255 HG23 VAL 34 HG23 VAL 34 -0.868 8.019 5.625 256 H ALA 35 HN ALA 35 1.323 4.405 6.805 257 HA ALA 35 HA ALA 35 2.664 4.262 9.411 258 HB1 ALA 35 HB1 ALA 35 2.802 1.875 9.334 259 HB2 ALA 35 HB2 ALA 35 2.058 1.828 7.732 260 HB3 ALA 35 HB3 ALA 35 1.106 2.321 9.135 261 H ALA 36 HN ALA 36 4.843 4.226 9.280 262 HA ALA 36 HA ALA 36 5.971 4.370 6.578 263 HB1 ALA 36 HB1 ALA 36 7.126 5.285 9.209 264 HB2 ALA 36 HB2 ALA 36 6.337 6.315 8.013 265 HB3 ALA 36 HB3 ALA 36 7.862 5.515 7.619 266 H THR 37 HN THR 37 5.908 2.434 9.415 267 HA THR 37 HA THR 37 8.234 0.917 8.446 268 HB THR 37 HB THR 37 8.727 0.205 10.658 269 HG1 THR 37 HG1 THR 37 7.232 1.035 12.402 270 HG21 THR 37 HG21 THR 37 7.872 3.083 10.936 271 HG22 THR 37 HG22 THR 37 9.353 2.551 10.132 272 HG23 THR 37 HG23 THR 37 9.127 2.245 11.853 273 H CYS 38 HN CYS 38 8.153 -1.419 9.109 274 HA CYS 38 HA CYS 38 5.811 -2.694 8.173 275 HB2 CYS 38 HB2 CYS 38 6.893 -4.769 9.028 276 HB3 CYS 38 HB1 CYS 38 7.959 -3.790 8.046 277 HG CYS 38 HG CYS 38 9.806 -3.357 9.797 278 H GLU 39 HN GLU 39 7.195 -2.200 11.332 279 HA GLU 39 HA GLU 39 5.388 -3.599 12.898 280 HB2 GLU 39 HB2 GLU 39 6.956 -1.126 13.572 281 HB3 GLU 39 HB1 GLU 39 6.158 -2.151 14.753 282 HG2 GLU 39 HG2 GLU 39 7.557 -4.028 14.083 283 HG3 GLU 39 HG1 GLU 39 8.350 -3.007 12.886 284 H GLN 40 HN GLN 40 5.249 -0.159 11.958 285 HA GLN 40 HA GLN 40 2.902 0.508 13.325 286 HB2 GLN 40 HB2 GLN 40 3.972 1.532 10.698 287 HB3 GLN 40 HB1 GLN 40 2.690 2.293 11.608 288 HG2 GLN 40 HG2 GLN 40 4.238 2.720 13.430 289 HG3 GLN 40 HG1 GLN 40 5.519 1.930 12.515 290 HE21 GLN 40 HE21 GLN 40 3.535 4.741 12.790 291 HE22 GLN 40 HE22 GLN 40 4.411 5.733 11.683 292 H ALA 41 HN ALA 41 3.430 -0.750 10.090 293 HA ALA 41 HA ALA 41 0.783 -0.735 9.193 294 HB1 ALA 41 HB1 ALA 41 2.817 -1.041 7.805 295 HB2 ALA 41 HB2 ALA 41 1.538 -2.209 7.472 296 HB3 ALA 41 HB3 ALA 41 2.939 -2.687 8.429 297 H LEU 42 HN LEU 42 2.701 -3.337 10.651 298 HA LEU 42 HA LEU 42 0.697 -5.293 10.596 299 HB2 LEU 42 HB2 LEU 42 3.013 -5.041 12.509 300 HB3 LEU 42 HB1 LEU 42 2.125 -6.504 12.138 301 HG LEU 42 HG LEU 42 3.774 -4.959 10.146 302 HD11 LEU 42 HD11 LEU 42 5.397 -6.754 10.330 303 HD12 LEU 42 HD12 LEU 42 4.423 -7.523 11.585 304 HD13 LEU 42 HD13 LEU 42 5.170 -5.953 11.885 305 HD21 LEU 42 HD21 LEU 42 1.977 -6.184 9.095 306 HD22 LEU 42 HD22 LEU 42 2.429 -7.652 9.967 307 HD23 LEU 42 HD23 LEU 42 3.520 -6.970 8.760 308 H LYS 43 HN LYS 43 1.466 -2.763 12.880 309 HA LYS 43 HA LYS 43 -0.181 -3.680 15.000 310 HB2 LYS 43 HB2 LYS 43 1.700 -1.925 15.062 311 HB3 LYS 43 HB1 LYS 43 0.507 -0.794 14.451 312 HG2 LYS 43 HG2 LYS 43 0.186 -2.353 17.010 313 HG3 LYS 43 HG1 LYS 43 0.871 -0.731 16.923 314 HD2 LYS 43 HD2 LYS 43 -1.232 0.103 15.986 315 HD3 LYS 43 HD1 LYS 43 -1.913 -1.524 16.060 316 HE2 LYS 43 HE2 LYS 43 -0.987 0.130 18.409 317 HE3 LYS 43 HE1 LYS 43 -2.662 -0.166 17.946 318 HZ1 LYS 43 HZ1 LYS 43 -0.718 -2.248 18.789 319 HZ2 LYS 43 HZ2 LYS 43 -2.336 -2.514 18.369 320 HZ3 LYS 43 HZ3 LYS 43 -1.958 -1.614 19.747 321 H SER 44 HN SER 44 -0.694 -1.186 12.501 322 HA SER 44 HA SER 44 -3.383 -0.689 13.216 323 HB2 SER 44 HB2 SER 44 -2.024 0.888 11.880 324 HB3 SER 44 HB1 SER 44 -2.041 -0.252 10.537 325 HG SER 44 HG SER 44 -3.809 0.733 9.997 326 H LEU 45 HN LEU 45 -1.867 -2.985 11.065 327 HA LEU 45 HA LEU 45 -4.155 -3.873 9.694 328 HB2 LEU 45 HB2 LEU 45 -1.720 -4.274 9.157 329 HB3 LEU 45 HB1 LEU 45 -1.719 -5.488 10.416 330 HG LEU 45 HG LEU 45 -3.280 -6.855 9.199 331 HD11 LEU 45 HD11 LEU 45 -4.675 -5.121 8.247 332 HD12 LEU 45 HD12 LEU 45 -4.075 -6.178 6.968 333 HD13 LEU 45 HD13 LEU 45 -3.351 -4.588 7.213 334 HD21 LEU 45 HD21 LEU 45 -0.898 -6.999 8.623 335 HD22 LEU 45 HD22 LEU 45 -1.147 -5.803 7.350 336 HD23 LEU 45 HD23 LEU 45 -1.940 -7.375 7.250 337 H ALA 46 HN ALA 46 -2.739 -4.722 12.785 338 HA ALA 46 HA ALA 46 -4.510 -6.957 13.213 339 HB1 ALA 46 HB1 ALA 46 -2.705 -5.540 15.170 340 HB2 ALA 46 HB2 ALA 46 -2.247 -6.917 14.167 341 HB3 ALA 46 HB3 ALA 46 -3.485 -7.104 15.409 342 H ASP 47 HN ASP 47 -4.373 -3.576 14.137 343 HA ASP 47 HA ASP 47 -6.480 -3.795 16.090 344 HB2 ASP 47 HB2 ASP 47 -4.655 -2.134 16.283 345 HB3 ASP 47 HB1 ASP 47 -5.253 -1.330 14.840 346 H ASN 48 HN ASN 48 -6.197 -2.760 12.751 347 HA ASN 48 HA ASN 48 -9.071 -2.101 12.734 348 HB2 ASN 48 HB2 ASN 48 -6.904 -1.125 10.866 349 HB3 ASN 48 HB1 ASN 48 -8.587 -0.661 10.809 350 HD21 ASN 48 HD21 ASN 48 -5.612 -0.357 12.515 351 HD22 ASN 48 HD22 ASN 48 -6.056 1.012 13.475 352 HA PRO 49 HA PRO 49 -9.470 -5.120 9.468 353 HB2 PRO 49 HB2 PRO 49 -11.837 -4.269 8.438 354 HB3 PRO 49 HB1 PRO 49 -11.693 -5.104 9.983 355 HG2 PRO 49 HG2 PRO 49 -12.422 -2.345 9.473 356 HG3 PRO 49 HG1 PRO 49 -12.464 -3.234 11.002 357 HD2 PRO 49 HD2 PRO 49 -10.433 -1.374 9.985 358 HD3 PRO 49 HD1 PRO 49 -10.687 -1.961 11.638 359 H ILE 50 HN ILE 50 -7.627 -4.175 8.288 360 HA ILE 50 HA ILE 50 -7.894 -2.091 6.419 361 HB ILE 50 HB ILE 50 -5.876 -4.322 6.621 362 HG12 ILE 50 HG12 ILE 50 -5.885 -2.794 8.512 363 HG13 ILE 50 HG11 ILE 50 -4.430 -2.574 7.557 364 HG21 ILE 50 HG21 ILE 50 -4.458 -2.997 5.156 365 HG22 ILE 50 HG22 ILE 50 -5.773 -1.848 4.923 366 HG23 ILE 50 HG23 ILE 50 -5.938 -3.505 4.343 367 HD11 ILE 50 HD11 ILE 50 -6.842 -0.792 7.689 368 HD12 ILE 50 HD12 ILE 50 -5.582 -0.629 6.463 369 HD13 ILE 50 HD13 ILE 50 -5.184 -0.424 8.171 370 H ASP 51 HN ASP 51 -8.943 -2.070 4.577 371 HA ASP 51 HA ASP 51 -9.835 -4.550 3.361 372 HB2 ASP 51 HB2 ASP 51 -10.427 -1.655 2.717 373 HB3 ASP 51 HB1 ASP 51 -11.079 -3.010 1.811 374 H VAL 52 HN VAL 52 -7.524 -1.996 2.821 375 HA VAL 52 HA VAL 52 -6.266 -3.485 0.710 376 HB VAL 52 HB VAL 52 -8.067 -2.344 -0.537 377 HG11 VAL 52 HG11 VAL 52 -7.947 0.111 -0.822 378 HG12 VAL 52 HG12 VAL 52 -6.760 0.164 0.480 379 HG13 VAL 52 HG13 VAL 52 -8.402 -0.393 0.805 380 HG21 VAL 52 HG21 VAL 52 -5.310 -1.296 -1.134 381 HG22 VAL 52 HG22 VAL 52 -6.667 -1.309 -2.261 382 HG23 VAL 52 HG23 VAL 52 -5.987 -2.831 -1.681 383 H ALA 53 HN ALA 53 -4.199 -2.529 0.078 384 HA ALA 53 HA ALA 53 -3.260 -0.397 1.852 385 HB1 ALA 53 HB1 ALA 53 -2.812 -2.592 2.925 386 HB2 ALA 53 HB2 ALA 53 -1.357 -1.654 2.582 387 HB3 ALA 53 HB3 ALA 53 -1.797 -3.010 1.541 388 H VAL 54 HN VAL 54 -1.095 0.375 1.285 389 HA VAL 54 HA VAL 54 -0.266 -0.124 -1.486 390 HB VAL 54 HB VAL 54 0.236 2.595 -1.076 391 HG11 VAL 54 HG11 VAL 54 -1.506 2.856 -2.868 392 HG12 VAL 54 HG12 VAL 54 -1.822 1.124 -2.704 393 HG13 VAL 54 HG13 VAL 54 -0.223 1.691 -3.213 394 HG21 VAL 54 HG21 VAL 54 -1.388 2.607 0.756 395 HG22 VAL 54 HG22 VAL 54 -2.618 1.971 -0.333 396 HG23 VAL 54 HG23 VAL 54 -1.939 3.575 -0.610 397 H LEU 55 HN LEU 55 1.811 -0.743 -1.375 398 HA LEU 55 HA LEU 55 3.312 0.081 1.018 399 HB2 LEU 55 HB2 LEU 55 3.175 -2.513 -0.469 400 HB3 LEU 55 HB1 LEU 55 4.573 -2.133 0.511 401 HG LEU 55 HG LEU 55 3.161 -1.999 2.510 402 HD11 LEU 55 HD11 LEU 55 0.828 -2.778 2.422 403 HD12 LEU 55 HD12 LEU 55 0.906 -2.731 0.658 404 HD13 LEU 55 HD13 LEU 55 1.076 -1.241 1.588 405 HD21 LEU 55 HD21 LEU 55 4.119 -4.111 2.100 406 HD22 LEU 55 HD22 LEU 55 2.921 -4.494 0.860 407 HD23 LEU 55 HD23 LEU 55 2.437 -4.402 2.559 408 H ASP 56 HN ASP 56 4.890 1.482 0.590 409 HA ASP 56 HA ASP 56 6.304 1.465 -1.931 410 HB2 ASP 56 HB2 ASP 56 6.004 3.603 -0.797 411 HB3 ASP 56 HB1 ASP 56 6.836 2.992 0.629 412 H VAL 57 HN VAL 57 7.680 -0.112 -2.330 413 HA VAL 57 HA VAL 57 8.620 -1.846 -0.300 414 HB VAL 57 HB VAL 57 9.612 -1.727 -3.147 415 HG11 VAL 57 HG11 VAL 57 10.870 -3.201 -1.680 416 HG12 VAL 57 HG12 VAL 57 9.934 -4.132 -2.851 417 HG13 VAL 57 HG13 VAL 57 9.378 -3.999 -1.182 418 HG21 VAL 57 HG21 VAL 57 7.168 -1.708 -3.111 419 HG22 VAL 57 HG22 VAL 57 7.171 -3.129 -2.070 420 HG23 VAL 57 HG23 VAL 57 7.792 -3.242 -3.715 421 H ASN 58 HN ASN 58 9.798 1.126 -1.325 422 HA ASN 58 HA ASN 58 12.497 0.454 -0.344 423 HB2 ASN 58 HB2 ASN 58 12.387 1.268 -2.714 424 HB3 ASN 58 HB1 ASN 58 11.765 2.798 -2.103 425 HD21 ASN 58 HD21 ASN 58 13.440 4.086 -2.671 426 HD22 ASN 58 HD22 ASN 58 15.036 3.938 -2.025 427 H LEU 59 HN LEU 59 11.101 0.747 1.742 428 HA LEU 59 HA LEU 59 10.389 3.335 2.593 429 HB2 LEU 59 HB2 LEU 59 11.162 0.924 4.226 430 HB3 LEU 59 HB1 LEU 59 10.452 2.385 4.883 431 HG LEU 59 HG LEU 59 9.117 0.521 2.917 432 HD11 LEU 59 HD11 LEU 59 7.696 -0.114 4.767 433 HD12 LEU 59 HD12 LEU 59 8.558 0.986 5.844 434 HD13 LEU 59 HD13 LEU 59 9.383 -0.423 5.178 435 HD21 LEU 59 HD21 LEU 59 8.368 2.801 2.595 436 HD22 LEU 59 HD22 LEU 59 8.097 2.987 4.327 437 HD23 LEU 59 HD23 LEU 59 7.105 1.866 3.395 438 H GLY 60 HN GLY 60 13.394 1.623 2.545 439 HA2 GLY 60 HA2 GLY 60 14.884 4.017 2.865 440 HA3 GLY 60 HA1 GLY 60 14.939 3.056 4.339 441 HA PRO 61 HA PRO 61 18.460 1.784 1.515 442 HB2 PRO 61 HB2 PRO 61 19.589 1.363 4.213 443 HB3 PRO 61 HB1 PRO 61 20.339 2.068 2.783 444 HG2 PRO 61 HG2 PRO 61 19.548 3.616 4.792 445 HG3 PRO 61 HG1 PRO 61 19.326 4.131 3.110 446 HD2 PRO 61 HD2 PRO 61 17.320 3.059 5.043 447 HD3 PRO 61 HD1 PRO 61 17.139 4.320 3.809 448 H LYS 62 HN LYS 62 17.303 0.323 4.542 449 HA LYS 62 HA LYS 62 17.470 -2.294 3.201 450 HB2 LYS 62 HB2 LYS 62 19.147 -2.018 5.033 451 HB3 LYS 62 HB1 LYS 62 17.815 -1.806 6.161 452 HG2 LYS 62 HG2 LYS 62 16.994 -4.058 5.559 453 HG3 LYS 62 HG1 LYS 62 18.407 -4.263 4.530 454 HD2 LYS 62 HD2 LYS 62 18.865 -5.343 6.602 455 HD3 LYS 62 HD1 LYS 62 19.833 -3.869 6.547 456 HE2 LYS 62 HE2 LYS 62 18.182 -2.727 7.927 457 HE3 LYS 62 HE1 LYS 62 17.191 -4.183 7.957 458 HZ1 LYS 62 HZ1 LYS 62 18.478 -3.990 9.973 459 HZ2 LYS 62 HZ2 LYS 62 19.918 -3.907 9.095 460 HZ3 LYS 62 HZ3 LYS 62 19.006 -5.330 9.084 461 H SER 63 HN SER 63 15.661 -0.154 5.297 462 HA SER 63 HA SER 63 13.630 -1.954 6.038 463 HB2 SER 63 HB2 SER 63 12.326 0.203 6.431 464 HB3 SER 63 HB1 SER 63 13.831 0.008 7.331 465 HG SER 63 HG SER 63 13.543 1.441 4.894 466 H HIS 64 HN HIS 64 11.983 -2.751 4.966 467 HA HIS 64 HA HIS 64 10.797 -1.285 2.743 468 HB2 HIS 64 HB2 HIS 64 10.793 -3.277 1.281 469 HB3 HIS 64 HB1 HIS 64 12.424 -2.727 1.630 470 HD1 HIS 64 HD1 HIS 64 10.095 -5.220 3.353 471 HD2 HIS 64 HD2 HIS 64 13.984 -4.894 1.951 472 HE1 HIS 64 HE1 HIS 64 11.173 -7.417 3.869 473 HE2 HIS 64 HE2 HIS 64 13.469 -7.263 2.840 474 H CYS 65 HN CYS 65 8.586 -1.896 2.335 475 HA CYS 65 HA CYS 65 7.206 -3.124 4.521 476 HB2 CYS 65 HB2 CYS 65 5.989 -2.836 1.832 477 HB3 CYS 65 HB1 CYS 65 5.266 -2.598 3.406 478 HG CYS 65 HG CYS 65 6.020 -0.099 3.784 479 H GLY 66 HN GLY 66 8.260 -5.186 4.675 480 HA2 GLY 66 HA2 GLY 66 7.704 -7.033 2.440 481 HA3 GLY 66 HA1 GLY 66 8.979 -7.252 3.630 482 HA PRO 67 HA PRO 67 6.350 -9.541 6.425 483 HB2 PRO 67 HB2 PRO 67 6.345 -7.321 8.380 484 HB3 PRO 67 HB1 PRO 67 6.817 -9.004 8.591 485 HG2 PRO 67 HG2 PRO 67 8.615 -7.007 8.451 486 HG3 PRO 67 HG1 PRO 67 8.953 -8.646 7.872 487 HD2 PRO 67 HD2 PRO 67 8.419 -6.173 6.339 488 HD3 PRO 67 HD1 PRO 67 9.350 -7.612 5.891 489 H VAL 68 HN VAL 68 5.634 -6.206 5.751 490 HA VAL 68 HA VAL 68 2.917 -6.175 6.580 491 HB VAL 68 HB VAL 68 4.126 -4.526 4.358 492 HG11 VAL 68 HG11 VAL 68 2.443 -2.897 4.954 493 HG12 VAL 68 HG12 VAL 68 1.873 -3.929 6.266 494 HG13 VAL 68 HG13 VAL 68 1.683 -4.447 4.591 495 HG21 VAL 68 HG21 VAL 68 4.201 -4.008 7.329 496 HG22 VAL 68 HG22 VAL 68 4.660 -2.847 6.084 497 HG23 VAL 68 HG23 VAL 68 5.582 -4.336 6.283 498 H ALA 69 HN ALA 69 4.551 -6.751 3.512 499 HA ALA 69 HA ALA 69 2.304 -7.106 1.884 500 HB1 ALA 69 HB1 ALA 69 5.044 -8.342 1.651 501 HB2 ALA 69 HB2 ALA 69 4.560 -6.771 1.012 502 HB3 ALA 69 HB3 ALA 69 3.843 -8.246 0.362 503 H ASP 70 HN ASP 70 4.339 -9.452 3.585 504 HA ASP 70 HA ASP 70 2.836 -11.742 2.955 505 HB2 ASP 70 HB2 ASP 70 4.594 -11.141 5.350 506 HB3 ASP 70 HB1 ASP 70 3.931 -12.731 4.992 507 H ALA 71 HN ALA 71 2.660 -9.469 5.651 508 HA ALA 71 HA ALA 71 0.723 -10.698 7.215 509 HB1 ALA 71 HB1 ALA 71 2.027 -8.701 7.842 510 HB2 ALA 71 HB2 ALA 71 0.299 -8.532 8.147 511 HB3 ALA 71 HB3 ALA 71 1.027 -7.744 6.745 512 H LEU 72 HN LEU 72 0.349 -8.466 4.500 513 HA LEU 72 HA LEU 72 -2.482 -8.418 4.541 514 HB2 LEU 72 HB2 LEU 72 -0.494 -7.791 2.367 515 HB3 LEU 72 HB1 LEU 72 -2.214 -7.470 2.253 516 HG LEU 72 HG LEU 72 -0.399 -6.279 4.352 517 HD11 LEU 72 HD11 LEU 72 -0.644 -4.210 3.113 518 HD12 LEU 72 HD12 LEU 72 -1.497 -5.082 1.832 519 HD13 LEU 72 HD13 LEU 72 0.194 -5.457 2.185 520 HD21 LEU 72 HD21 LEU 72 -3.286 -5.839 3.613 521 HD22 LEU 72 HD22 LEU 72 -2.364 -4.770 4.672 522 HD23 LEU 72 HD23 LEU 72 -2.652 -6.446 5.142 523 H LYS 73 HN LYS 73 -0.093 -10.266 2.732 524 HA LYS 73 HA LYS 73 -1.814 -11.743 1.119 525 HB2 LYS 73 HB2 LYS 73 0.939 -12.147 2.182 526 HB3 LYS 73 HB1 LYS 73 0.168 -13.440 1.288 527 HG2 LYS 73 HG2 LYS 73 0.641 -10.640 0.299 528 HG3 LYS 73 HG1 LYS 73 1.567 -12.067 -0.144 529 HD2 LYS 73 HD2 LYS 73 -0.400 -13.059 -1.174 530 HD3 LYS 73 HD1 LYS 73 -1.370 -11.669 -0.688 531 HE2 LYS 73 HE2 LYS 73 0.009 -10.211 -2.070 532 HE3 LYS 73 HE1 LYS 73 1.004 -11.586 -2.543 533 HZ1 LYS 73 HZ1 LYS 73 -0.977 -12.586 -3.545 534 HZ2 LYS 73 HZ2 LYS 73 -0.586 -11.101 -4.254 535 HZ3 LYS 73 HZ3 LYS 73 -1.875 -11.204 -3.160 536 H GLN 74 HN GLN 74 -0.753 -12.264 4.431 537 HA GLN 74 HA GLN 74 -1.797 -14.853 4.797 538 HB2 GLN 74 HB2 GLN 74 -1.301 -12.606 6.750 539 HB3 GLN 74 HB1 GLN 74 -1.815 -14.212 7.246 540 HG2 GLN 74 HG2 GLN 74 0.196 -15.193 6.465 541 HG3 GLN 74 HG1 GLN 74 0.671 -13.709 5.638 542 HE21 GLN 74 HE21 GLN 74 2.622 -13.607 6.729 543 HE22 GLN 74 HE22 GLN 74 2.729 -13.167 8.399 544 H ARG 75 HN ARG 75 -3.267 -11.669 5.146 545 HA ARG 75 HA ARG 75 -5.769 -12.878 6.032 546 HB2 ARG 75 HB2 ARG 75 -4.998 -9.974 5.733 547 HB3 ARG 75 HB1 ARG 75 -6.468 -10.582 6.485 548 HG2 ARG 75 HG2 ARG 75 -5.203 -11.591 8.258 549 HG3 ARG 75 HG1 ARG 75 -3.686 -11.168 7.467 550 HD2 ARG 75 HD2 ARG 75 -4.113 -8.827 7.768 551 HD3 ARG 75 HD1 ARG 75 -5.732 -9.154 8.380 552 HE ARG 75 HE ARG 75 -4.840 -9.603 10.437 553 HH11 ARG 75 HH11 ARG 75 -2.231 -9.694 8.089 554 HH12 ARG 75 HH12 ARG 75 -0.988 -9.634 9.298 555 HH21 ARG 75 HH21 ARG 75 -3.198 -9.525 12.009 556 HH22 ARG 75 HH22 ARG 75 -1.533 -9.540 11.515 557 H ALA 76 HN ALA 76 -4.393 -12.503 3.178 558 HA ALA 76 HA ALA 76 -5.067 -12.385 1.021 559 HB1 ALA 76 HB1 ALA 76 -7.821 -12.850 2.163 560 HB2 ALA 76 HB2 ALA 76 -6.655 -14.105 1.742 561 HB3 ALA 76 HB3 ALA 76 -7.336 -13.076 0.483 562 H ILE 77 HN ILE 77 -4.812 -9.916 2.445 563 HA ILE 77 HA ILE 77 -6.982 -8.230 1.497 564 HB ILE 77 HB ILE 77 -4.439 -7.562 2.988 565 HG12 ILE 77 HG12 ILE 77 -7.270 -7.596 4.026 566 HG13 ILE 77 HG11 ILE 77 -6.200 -8.988 4.140 567 HG21 ILE 77 HG21 ILE 77 -5.537 -5.392 3.435 568 HG22 ILE 77 HG22 ILE 77 -6.825 -5.848 2.319 569 HG23 ILE 77 HG23 ILE 77 -5.177 -5.643 1.727 570 HD11 ILE 77 HD11 ILE 77 -4.651 -7.716 5.486 571 HD12 ILE 77 HD12 ILE 77 -6.262 -7.694 6.206 572 HD13 ILE 77 HD13 ILE 77 -5.665 -6.281 5.334 573 HA PRO 78 HA PRO 78 -4.789 -7.277 -2.253 574 HB2 PRO 78 HB2 PRO 78 -6.400 -5.230 -3.048 575 HB3 PRO 78 HB1 PRO 78 -6.755 -6.935 -3.308 576 HG2 PRO 78 HG2 PRO 78 -7.914 -5.040 -1.380 577 HG3 PRO 78 HG1 PRO 78 -8.614 -6.507 -2.075 578 HD2 PRO 78 HD2 PRO 78 -7.558 -6.225 0.501 579 HD3 PRO 78 HD1 PRO 78 -7.949 -7.747 -0.306 580 H PHE 79 HN PHE 79 -3.234 -5.894 -2.823 581 HA PHE 79 HA PHE 79 -3.115 -3.212 -1.823 582 HB2 PHE 79 HB2 PHE 79 -0.976 -3.440 -0.639 583 HB3 PHE 79 HB1 PHE 79 -2.265 -4.333 0.138 584 HD1 PHE 79 HD2 PHE 79 -2.404 -6.834 -0.353 585 HD2 PHE 79 HD1 PHE 79 1.031 -4.470 -1.151 586 HE1 PHE 79 HE2 PHE 79 -1.023 -8.867 -0.395 587 HE2 PHE 79 HE1 PHE 79 2.427 -6.499 -1.204 588 HZ PHE 79 HZ PHE 79 1.464 -8.656 -0.737 589 H ILE 80 HN ILE 80 -1.246 -2.074 -2.620 590 HA ILE 80 HA ILE 80 -0.131 -3.330 -5.044 591 HB ILE 80 HB ILE 80 -1.106 -0.488 -4.756 592 HG12 ILE 80 HG12 ILE 80 -2.047 -2.854 -6.364 593 HG13 ILE 80 HG11 ILE 80 -2.947 -1.935 -5.162 594 HG21 ILE 80 HG21 ILE 80 0.951 -0.519 -6.047 595 HG22 ILE 80 HG22 ILE 80 -0.433 -0.175 -7.086 596 HG23 ILE 80 HG23 ILE 80 0.294 -1.784 -7.090 597 HD11 ILE 80 HD11 ILE 80 -2.958 -0.008 -6.647 598 HD12 ILE 80 HD12 ILE 80 -3.694 -1.420 -7.404 599 HD13 ILE 80 HD13 ILE 80 -2.059 -0.930 -7.851 600 H LEU 81 HN LEU 81 2.007 -2.925 -5.449 601 HA LEU 81 HA LEU 81 3.500 -1.692 -3.276 602 HB2 LEU 81 HB2 LEU 81 4.464 -3.123 -5.756 603 HB3 LEU 81 HB1 LEU 81 5.503 -2.507 -4.489 604 HG LEU 81 HG LEU 81 5.385 -4.766 -4.014 605 HD11 LEU 81 HD11 LEU 81 3.158 -3.542 -2.398 606 HD12 LEU 81 HD12 LEU 81 4.879 -3.457 -2.031 607 HD13 LEU 81 HD13 LEU 81 4.043 -5.010 -1.987 608 HD21 LEU 81 HD21 LEU 81 3.661 -5.321 -5.657 609 HD22 LEU 81 HD22 LEU 81 2.423 -4.715 -4.556 610 HD23 LEU 81 HD23 LEU 81 3.385 -6.127 -4.112 611 H HIS 82 HN HIS 82 3.660 0.416 -3.359 612 HA HIS 82 HA HIS 82 3.998 1.704 -5.974 613 HB2 HIS 82 HB2 HIS 82 2.084 2.517 -4.699 614 HB3 HIS 82 HB1 HIS 82 3.104 2.853 -3.310 615 HD1 HIS 82 HD1 HIS 82 2.174 5.328 -3.491 616 HD2 HIS 82 HD2 HIS 82 4.538 4.083 -6.671 617 HE1 HIS 82 HE1 HIS 82 2.759 7.417 -4.763 618 HE2 HIS 82 HE2 HIS 82 4.350 6.659 -6.548 619 H THR 83 HN THR 83 6.157 0.953 -6.001 620 HA THR 83 HA THR 83 7.999 2.120 -4.034 621 HB THR 83 HB THR 83 8.102 -0.277 -4.094 622 HG1 THR 83 HG1 THR 83 10.350 -0.341 -5.364 623 HG21 THR 83 HG21 THR 83 7.079 -0.606 -6.298 624 HG22 THR 83 HG22 THR 83 8.563 -1.547 -6.118 625 HG23 THR 83 HG23 THR 83 8.572 -0.058 -7.065 626 H GLY 84 HN GLY 84 10.145 2.742 -4.874 627 HA2 GLY 84 HA2 GLY 84 9.854 4.197 -7.399 628 HA3 GLY 84 HA1 GLY 84 11.047 4.523 -6.153 629 H ASP 85 HN ASP 85 11.181 1.323 -6.308 630 HA ASP 85 HA ASP 85 12.609 1.151 -8.847 631 HB2 ASP 85 HB2 ASP 85 14.505 -0.016 -7.924 632 HB3 ASP 85 HB1 ASP 85 14.332 1.519 -7.089 633 H LEU 86 HN LEU 86 12.238 -0.649 -9.945 634 HA LEU 86 HA LEU 86 10.501 -2.636 -8.658 635 HB2 LEU 86 HB2 LEU 86 10.629 -1.752 -11.541 636 HB3 LEU 86 HB1 LEU 86 9.676 -3.109 -10.976 637 HG LEU 86 HG LEU 86 8.470 -1.440 -9.460 638 HD11 LEU 86 HD11 LEU 86 10.085 0.382 -9.617 639 HD12 LEU 86 HD12 LEU 86 8.489 0.885 -10.175 640 HD13 LEU 86 HD13 LEU 86 9.759 0.526 -11.345 641 HD21 LEU 86 HD21 LEU 86 6.982 -0.728 -11.258 642 HD22 LEU 86 HD22 LEU 86 7.462 -2.414 -11.447 643 HD23 LEU 86 HD23 LEU 86 8.207 -1.168 -12.449 644 H ASP 87 HN ASP 87 13.392 -2.144 -10.517 645 HA ASP 87 HA ASP 87 13.754 -4.967 -11.041 646 HB2 ASP 87 HB2 ASP 87 14.640 -3.397 -12.659 647 HB3 ASP 87 HB1 ASP 87 15.619 -2.619 -11.419 648 H ARG 88 HN ARG 88 15.166 -2.517 -8.944 649 HA ARG 88 HA ARG 88 17.140 -4.127 -7.770 650 HB2 ARG 88 HB2 ARG 88 17.219 -1.713 -7.705 651 HB3 ARG 88 HB1 ARG 88 15.752 -1.659 -6.745 652 HG2 ARG 88 HG2 ARG 88 17.989 -3.211 -5.619 653 HG3 ARG 88 HG1 ARG 88 18.206 -1.467 -5.715 654 HD2 ARG 88 HD2 ARG 88 15.919 -1.282 -4.626 655 HD3 ARG 88 HD1 ARG 88 16.062 -3.005 -4.288 656 HE ARG 88 HE ARG 88 18.186 -2.343 -3.073 657 HH11 ARG 88 HH11 ARG 88 15.482 -0.140 -3.456 658 HH12 ARG 88 HH12 ARG 88 15.801 0.707 -1.974 659 HH21 ARG 88 HH21 ARG 88 18.614 -1.218 -1.120 660 HH22 ARG 88 HH22 ARG 88 17.590 0.102 -0.655 661 H HIS 89 HN HIS 89 13.810 -3.421 -6.779 662 HA HIS 89 HA HIS 89 14.027 -5.526 -4.749 663 HB2 HIS 89 HB2 HIS 89 12.050 -3.313 -5.201 664 HB3 HIS 89 HB1 HIS 89 11.630 -4.699 -4.203 665 HD1 HIS 89 HD1 HIS 89 13.909 -5.145 -2.420 666 HD2 HIS 89 HD2 HIS 89 12.791 -1.308 -3.562 667 HE1 HIS 89 HE1 HIS 89 14.814 -3.623 -0.649 668 HE2 HIS 89 HE2 HIS 89 13.968 -1.337 -1.257 669 H GLY 90 HN GLY 90 13.900 -6.024 -7.670 670 HA2 GLY 90 HA2 GLY 90 11.304 -6.772 -8.464 671 HA3 GLY 90 HA1 GLY 90 12.793 -7.343 -9.190 672 H GLU 91 HN GLU 91 13.857 -8.603 -6.874 673 HA GLU 91 HA GLU 91 12.579 -11.124 -7.039 674 HB2 GLU 91 HB2 GLU 91 14.978 -10.868 -6.539 675 HB3 GLU 91 HB1 GLU 91 14.576 -10.114 -5.005 676 HG2 GLU 91 HG2 GLU 91 13.262 -12.330 -4.595 677 HG3 GLU 91 HG1 GLU 91 14.347 -12.958 -5.834 678 H LEU 92 HN LEU 92 12.537 -8.529 -4.641 679 HA LEU 92 HA LEU 92 10.980 -9.950 -2.747 680 HB2 LEU 92 HB2 LEU 92 12.333 -7.952 -2.190 681 HB3 LEU 92 HB1 LEU 92 11.219 -6.964 -3.116 682 HG LEU 92 HG LEU 92 9.408 -7.515 -1.558 683 HD11 LEU 92 HD11 LEU 92 9.920 -8.692 0.540 684 HD12 LEU 92 HD12 LEU 92 11.529 -9.064 -0.078 685 HD13 LEU 92 HD13 LEU 92 10.103 -9.731 -0.873 686 HD21 LEU 92 HD21 LEU 92 10.204 -6.247 0.338 687 HD22 LEU 92 HD22 LEU 92 10.845 -5.558 -1.154 688 HD23 LEU 92 HD23 LEU 92 11.878 -6.552 -0.127 689 H LEU 93 HN LEU 93 10.196 -7.745 -5.404 690 HA LEU 93 HA LEU 93 7.452 -7.547 -4.977 691 HB2 LEU 93 HB2 LEU 93 9.015 -7.552 -7.554 692 HB3 LEU 93 HB1 LEU 93 7.336 -7.079 -7.417 693 HG LEU 93 HG LEU 93 9.588 -5.694 -5.974 694 HD11 LEU 93 HD11 LEU 93 9.284 -3.925 -7.658 695 HD12 LEU 93 HD12 LEU 93 8.191 -4.987 -8.546 696 HD13 LEU 93 HD13 LEU 93 9.886 -5.430 -8.348 697 HD21 LEU 93 HD21 LEU 93 6.687 -4.996 -6.403 698 HD22 LEU 93 HD22 LEU 93 7.892 -3.914 -5.706 699 HD23 LEU 93 HD23 LEU 93 7.464 -5.408 -4.874 700 H ARG 94 HN ARG 94 9.327 -10.035 -6.663 701 HA ARG 94 HA ARG 94 7.017 -11.434 -7.570 702 HB2 ARG 94 HB2 ARG 94 8.426 -12.970 -8.547 703 HB3 ARG 94 HB1 ARG 94 9.373 -11.489 -8.566 704 HG2 ARG 94 HG2 ARG 94 10.556 -12.196 -6.605 705 HG3 ARG 94 HG1 ARG 94 9.571 -13.652 -6.536 706 HD2 ARG 94 HD2 ARG 94 10.461 -14.414 -8.645 707 HD3 ARG 94 HD1 ARG 94 11.343 -12.904 -8.856 708 HE ARG 94 HE ARG 94 12.045 -14.372 -6.476 709 HH11 ARG 94 HH11 ARG 94 12.672 -13.903 -9.878 710 HH12 ARG 94 HH12 ARG 94 14.295 -14.506 -9.802 711 HH21 ARG 94 HH21 ARG 94 14.190 -15.194 -6.357 712 HH22 ARG 94 HH22 ARG 94 15.160 -15.249 -7.795 713 H LYS 95 HN LYS 95 8.938 -11.495 -4.697 714 HA LYS 95 HA LYS 95 7.841 -13.876 -3.587 715 HB2 LYS 95 HB2 LYS 95 9.205 -11.465 -2.416 716 HB3 LYS 95 HB1 LYS 95 8.521 -12.709 -1.382 717 HG2 LYS 95 HG2 LYS 95 9.982 -14.375 -2.403 718 HG3 LYS 95 HG1 LYS 95 10.661 -13.132 -3.457 719 HD2 LYS 95 HD2 LYS 95 11.686 -12.013 -1.669 720 HD3 LYS 95 HD1 LYS 95 10.695 -12.843 -0.470 721 HE2 LYS 95 HE2 LYS 95 12.932 -13.731 -0.406 722 HE3 LYS 95 HE1 LYS 95 11.837 -14.956 -1.040 723 HZ1 LYS 95 HZ1 LYS 95 13.793 -14.959 -2.355 724 HZ2 LYS 95 HZ2 LYS 95 13.745 -13.283 -2.578 725 HZ3 LYS 95 HZ3 LYS 95 12.571 -14.267 -3.296 726 H ILE 96 HN ILE 96 6.894 -10.532 -3.674 727 HA ILE 96 HA ILE 96 4.751 -10.774 -1.797 728 HB ILE 96 HB ILE 96 5.427 -8.628 -3.814 729 HG12 ILE 96 HG12 ILE 96 5.810 -8.687 -0.812 730 HG13 ILE 96 HG11 ILE 96 7.084 -9.003 -1.987 731 HG21 ILE 96 HG21 ILE 96 3.093 -8.488 -3.353 732 HG22 ILE 96 HG22 ILE 96 3.905 -7.206 -2.452 733 HG23 ILE 96 HG23 ILE 96 3.370 -8.666 -1.622 734 HD11 ILE 96 HD11 ILE 96 7.190 -6.731 -1.117 735 HD12 ILE 96 HD12 ILE 96 5.558 -6.425 -1.711 736 HD13 ILE 96 HD13 ILE 96 6.865 -6.745 -2.850 737 H ASP 97 HN ASP 97 4.928 -10.335 -5.330 738 HA ASP 97 HA ASP 97 3.517 -10.840 -7.019 739 HB2 ASP 97 HB2 ASP 97 3.588 -13.128 -6.204 740 HB3 ASP 97 HB1 ASP 97 2.331 -12.777 -5.023 741 H ALA 98 HN ALA 98 2.839 -8.649 -6.690 742 HA ALA 98 HA ALA 98 -0.026 -8.451 -6.610 743 HB1 ALA 98 HB1 ALA 98 0.483 -8.240 -4.220 744 HB2 ALA 98 HB2 ALA 98 -0.119 -6.718 -4.876 745 HB3 ALA 98 HB3 ALA 98 1.603 -6.925 -4.570 746 HA PRO 99 HA PRO 99 0.657 -5.291 -9.594 747 HB2 PRO 99 HB2 PRO 99 -1.099 -3.460 -8.057 748 HB3 PRO 99 HB1 PRO 99 -1.231 -3.998 -9.732 749 HG2 PRO 99 HG2 PRO 99 -2.869 -4.966 -7.886 750 HG3 PRO 99 HG1 PRO 99 -2.183 -6.028 -9.126 751 HD2 PRO 99 HD2 PRO 99 -1.369 -5.698 -6.268 752 HD3 PRO 99 HD1 PRO 99 -1.541 -7.185 -7.225 753 H VAL 100 HN VAL 100 1.924 -3.513 -10.016 754 HA VAL 100 HA VAL 100 3.108 -2.164 -7.682 755 HB VAL 100 HB VAL 100 4.583 -2.909 -10.214 756 HG11 VAL 100 HG11 VAL 100 6.582 -2.305 -8.930 757 HG12 VAL 100 HG12 VAL 100 5.556 -1.809 -7.584 758 HG13 VAL 100 HG13 VAL 100 5.479 -0.942 -9.118 759 HG21 VAL 100 HG21 VAL 100 4.696 -4.229 -7.504 760 HG22 VAL 100 HG22 VAL 100 5.730 -4.609 -8.882 761 HG23 VAL 100 HG23 VAL 100 3.996 -4.922 -8.966 762 H MET 101 HN MET 101 3.225 0.002 -7.770 763 HA MET 101 HA MET 101 2.630 1.336 -10.335 764 HB2 MET 101 HB2 MET 101 2.031 2.239 -7.509 765 HB3 MET 101 HB1 MET 101 1.865 3.273 -8.920 766 HG2 MET 101 HG2 MET 101 0.402 0.673 -8.587 767 HG3 MET 101 HG1 MET 101 -0.252 2.229 -8.087 768 HE1 MET 101 HE1 MET 101 -0.780 4.097 -11.446 769 HE2 MET 101 HE2 MET 101 0.461 4.279 -10.205 770 HE3 MET 101 HE3 MET 101 -1.225 4.037 -9.741 771 H ALA 102 HN ALA 102 4.462 2.028 -11.179 772 HA ALA 102 HA ALA 102 6.841 2.357 -9.636 773 HB1 ALA 102 HB1 ALA 102 6.861 1.476 -11.921 774 HB2 ALA 102 HB2 ALA 102 7.891 2.897 -11.763 775 HB3 ALA 102 HB3 ALA 102 6.307 3.038 -12.524 776 H LYS 103 HN LYS 103 7.968 4.189 -9.131 777 HA LYS 103 HA LYS 103 6.457 6.684 -9.178 778 HB2 LYS 103 HB2 LYS 103 9.011 5.882 -7.775 779 HB3 LYS 103 HB1 LYS 103 8.347 7.507 -7.716 780 HG2 LYS 103 HG2 LYS 103 6.330 6.673 -6.654 781 HG3 LYS 103 HG1 LYS 103 6.936 5.022 -6.763 782 HD2 LYS 103 HD2 LYS 103 8.715 5.504 -5.234 783 HD3 LYS 103 HD1 LYS 103 8.341 7.228 -5.263 784 HE2 LYS 103 HE2 LYS 103 6.243 6.852 -4.153 785 HE3 LYS 103 HE1 LYS 103 6.443 5.104 -4.273 786 HZ1 LYS 103 HZ1 LYS 103 8.362 6.800 -2.788 787 HZ2 LYS 103 HZ2 LYS 103 8.148 5.122 -2.689 788 HZ3 LYS 103 HZ3 LYS 103 6.974 6.166 -2.050 789 HA PRO 104 HA PRO 104 7.068 8.919 -8.865 790 HB2 PRO 104 HB2 PRO 104 6.412 10.736 -11.035 791 HB3 PRO 104 HB1 PRO 104 7.319 11.057 -9.556 792 HG2 PRO 104 HG2 PRO 104 8.468 11.034 -12.015 793 HG3 PRO 104 HG1 PRO 104 9.338 10.582 -10.538 794 HD2 PRO 104 HD2 PRO 104 8.098 8.819 -12.620 795 HD3 PRO 104 HD1 PRO 104 9.660 8.655 -11.790 796 H ALA 105 HN ALA 105 5.075 8.353 -8.386 797 HA ALA 105 HA ALA 105 3.148 7.934 -10.570 798 HB1 ALA 105 HB1 ALA 105 3.168 6.539 -7.894 799 HB2 ALA 105 HB2 ALA 105 3.719 5.830 -9.417 800 HB3 ALA 105 HB3 ALA 105 2.022 6.278 -9.216 801 H ASP 106 HN ASP 106 1.388 9.167 -10.516 802 HA ASP 106 HA ASP 106 1.007 11.042 -8.376 803 HB2 ASP 106 HB2 ASP 106 0.392 11.490 -10.801 804 HB3 ASP 106 HB1 ASP 106 -0.973 10.400 -10.571 805 H THR 107 HN THR 107 -0.354 10.874 -6.681 806 HA THR 107 HA THR 107 -0.785 8.230 -5.842 807 HB THR 107 HB THR 107 -1.840 9.277 -3.832 808 HG1 THR 107 HG1 THR 107 -2.201 11.393 -3.779 809 HG21 THR 107 HG21 THR 107 0.247 10.280 -3.049 810 HG22 THR 107 HG22 THR 107 0.817 10.415 -4.713 811 HG23 THR 107 HG23 THR 107 0.572 8.824 -3.988 812 H SER 108 HN SER 108 -2.885 10.408 -7.515 813 HA SER 108 HA SER 108 -5.355 9.298 -6.689 814 HB2 SER 108 HB2 SER 108 -6.265 10.314 -8.763 815 HB3 SER 108 HB1 SER 108 -5.271 11.446 -7.846 816 HG SER 108 HG SER 108 -3.642 11.229 -9.311 817 H ASP 109 HN ASP 109 -3.126 8.537 -9.324 818 HA ASP 109 HA ASP 109 -4.704 6.476 -10.480 819 HB2 ASP 109 HB2 ASP 109 -1.790 7.207 -10.660 820 HB3 ASP 109 HB1 ASP 109 -2.416 5.758 -11.439 821 H VAL 110 HN VAL 110 -2.173 6.552 -8.061 822 HA VAL 110 HA VAL 110 -1.880 3.773 -7.717 823 HB VAL 110 HB VAL 110 -1.529 5.881 -5.583 824 HG11 VAL 110 HG11 VAL 110 -0.164 3.218 -5.949 825 HG12 VAL 110 HG12 VAL 110 -1.499 3.522 -4.838 826 HG13 VAL 110 HG13 VAL 110 0.049 4.342 -4.603 827 HG21 VAL 110 HG21 VAL 110 0.453 4.944 -7.656 828 HG22 VAL 110 HG22 VAL 110 0.792 6.058 -6.331 829 HG23 VAL 110 HG23 VAL 110 -0.327 6.526 -7.613 830 H ALA 111 HN ALA 111 -3.936 6.166 -6.121 831 HA ALA 111 HA ALA 111 -5.083 4.458 -4.206 832 HB1 ALA 111 HB1 ALA 111 -6.242 6.962 -5.423 833 HB2 ALA 111 HB2 ALA 111 -5.151 6.897 -4.039 834 HB3 ALA 111 HB3 ALA 111 -6.766 6.196 -3.924 835 H LYS 112 HN LYS 112 -6.260 5.488 -7.402 836 HA LYS 112 HA LYS 112 -8.701 4.101 -7.254 837 HB2 LYS 112 HB2 LYS 112 -7.100 5.032 -9.635 838 HB3 LYS 112 HB1 LYS 112 -8.707 4.328 -9.764 839 HG2 LYS 112 HG2 LYS 112 -9.571 6.126 -8.305 840 HG3 LYS 112 HG1 LYS 112 -7.965 6.854 -8.303 841 HD2 LYS 112 HD2 LYS 112 -9.603 6.339 -10.782 842 HD3 LYS 112 HD1 LYS 112 -9.545 7.881 -9.930 843 HE2 LYS 112 HE2 LYS 112 -7.116 7.973 -10.310 844 HE3 LYS 112 HE1 LYS 112 -7.213 6.461 -11.207 845 HZ1 LYS 112 HZ1 LYS 112 -8.651 7.539 -12.813 846 HZ2 LYS 112 HZ2 LYS 112 -7.190 8.377 -12.676 847 HZ3 LYS 112 HZ3 LYS 112 -8.585 8.988 -11.946 848 H ARG 113 HN ARG 113 -5.536 3.124 -8.525 849 HA ARG 113 HA ARG 113 -6.410 0.628 -9.530 850 HB2 ARG 113 HB2 ARG 113 -3.693 1.643 -8.747 851 HB3 ARG 113 HB1 ARG 113 -3.956 0.034 -9.410 852 HG2 ARG 113 HG2 ARG 113 -4.643 2.632 -10.763 853 HG3 ARG 113 HG1 ARG 113 -3.274 1.591 -11.129 854 HD2 ARG 113 HD2 ARG 113 -4.819 -0.219 -11.724 855 HD3 ARG 113 HD1 ARG 113 -6.178 0.853 -11.398 856 HE ARG 113 HE ARG 113 -4.239 1.721 -13.390 857 HH11 ARG 113 HH11 ARG 113 -7.379 0.342 -12.672 858 HH12 ARG 113 HH12 ARG 113 -8.007 0.647 -14.265 859 HH21 ARG 113 HH21 ARG 113 -5.076 2.111 -15.491 860 HH22 ARG 113 HH22 ARG 113 -6.709 1.652 -15.854 861 H ALA 114 HN ALA 114 -5.490 1.710 -6.359 862 HA ALA 114 HA ALA 114 -5.221 -0.940 -5.271 863 HB1 ALA 114 HB1 ALA 114 -5.482 1.746 -3.917 864 HB2 ALA 114 HB2 ALA 114 -3.983 0.876 -4.249 865 HB3 ALA 114 HB3 ALA 114 -5.144 0.226 -3.086 866 H LEU 115 HN LEU 115 -7.670 1.623 -5.208 867 HA LEU 115 HA LEU 115 -9.428 0.217 -3.494 868 HB2 LEU 115 HB2 LEU 115 -9.842 2.592 -5.277 869 HB3 LEU 115 HB1 LEU 115 -11.057 1.977 -4.170 870 HG LEU 115 HG LEU 115 -8.340 3.043 -3.402 871 HD11 LEU 115 HD11 LEU 115 -9.842 4.798 -4.053 872 HD12 LEU 115 HD12 LEU 115 -9.653 4.799 -2.297 873 HD13 LEU 115 HD13 LEU 115 -11.112 4.132 -3.029 874 HD21 LEU 115 HD21 LEU 115 -9.176 2.802 -1.087 875 HD22 LEU 115 HD22 LEU 115 -8.959 1.260 -1.910 876 HD23 LEU 115 HD23 LEU 115 -10.575 1.933 -1.714 877 H GLU 116 HN GLU 116 -9.042 0.228 -6.976 878 HA GLU 116 HA GLU 116 -11.557 -0.858 -7.629 879 HB2 GLU 116 HB2 GLU 116 -10.521 -1.645 -9.708 880 HB3 GLU 116 HB1 GLU 116 -10.060 0.003 -9.349 881 HG2 GLU 116 HG2 GLU 116 -7.898 -0.575 -8.785 882 HG3 GLU 116 HG1 GLU 116 -8.324 -2.264 -8.581 883 H MET 117 HN MET 117 -8.603 -2.337 -6.439 884 HA MET 117 HA MET 117 -9.544 -5.024 -6.722 885 HB2 MET 117 HB2 MET 117 -7.325 -3.900 -5.005 886 HB3 MET 117 HB1 MET 117 -7.615 -5.606 -5.288 887 HG2 MET 117 HG2 MET 117 -7.280 -5.142 -7.735 888 HG3 MET 117 HG1 MET 117 -6.734 -3.535 -7.269 889 HE1 MET 117 HE1 MET 117 -3.545 -4.357 -5.134 890 HE2 MET 117 HE2 MET 117 -5.153 -4.449 -4.415 891 HE3 MET 117 HE3 MET 117 -4.767 -3.151 -5.545 892 H CYS 118 HN CYS 118 -9.730 -2.527 -4.334 893 HA CYS 118 HA CYS 118 -10.489 -4.180 -2.142 894 HB2 CYS 118 HB2 CYS 118 -9.450 -1.979 -1.827 895 HB3 CYS 118 HB1 CYS 118 -10.843 -1.208 -2.571 896 HG CYS 118 HG CYS 118 -12.597 -1.666 -0.553 897 H GLY 119 HN GLY 119 -12.267 -2.088 -4.400 898 HA2 GLY 119 HA2 GLY 119 -14.803 -2.966 -3.234 899 HA3 GLY 119 HA1 GLY 119 -14.589 -1.683 -4.416 900 H GLY 120 HN GLY 120 -12.849 -4.467 -5.197 901 HA2 GLY 120 HA2 GLY 120 -14.929 -5.199 -7.152 902 HA3 GLY 120 HA1 GLY 120 -13.201 -5.342 -7.441 903 H ASP 121 HN ASP 121 -15.768 -6.537 -5.287 904 HA ASP 121 HA ASP 121 -14.255 -8.924 -4.696 905 HB2 ASP 121 HB2 ASP 121 -15.824 -7.890 -3.037 906 HB3 ASP 121 HB1 ASP 121 -17.163 -8.375 -4.075 907 H LYS 122 HN LYS 122 -14.152 -10.599 -5.972 908 HA LYS 122 HA LYS 122 -16.425 -11.356 -7.612 909 HB2 LYS 122 HB2 LYS 122 -14.695 -11.593 -9.574 910 HB3 LYS 122 HB1 LYS 122 -15.489 -10.058 -9.271 911 HG2 LYS 122 HG2 LYS 122 -13.194 -9.620 -9.700 912 HG3 LYS 122 HG1 LYS 122 -13.475 -9.348 -7.982 913 HD2 LYS 122 HD2 LYS 122 -12.544 -11.576 -7.501 914 HD3 LYS 122 HD1 LYS 122 -12.230 -11.801 -9.224 915 HE2 LYS 122 HE2 LYS 122 -10.200 -11.104 -8.126 916 HE3 LYS 122 HE1 LYS 122 -10.766 -9.813 -9.183 917 HZ1 LYS 122 HZ1 LYS 122 -11.768 -8.761 -7.189 918 HZ2 LYS 122 HZ2 LYS 122 -10.082 -8.865 -7.124 919 HZ3 LYS 122 HZ3 LYS 122 -11.027 -9.943 -6.228 920 H GLU 123 HN GLU 123 -16.094 -13.445 -8.669 921 HA GLU 123 HA GLU 123 -14.810 -15.304 -6.891 922 HB2 GLU 123 HB2 GLU 123 -16.158 -15.805 -9.552 923 HB3 GLU 123 HB1 GLU 123 -15.789 -17.008 -8.323 924 HG2 GLU 123 HG2 GLU 123 -17.354 -15.967 -6.794 925 HG3 GLU 123 HG1 GLU 123 -17.688 -14.697 -7.970 926 HA PRO 124 HA PRO 124 -10.817 -14.812 -8.793 927 HB2 PRO 124 HB2 PRO 124 -10.466 -17.544 -7.646 928 HB3 PRO 124 HB1 PRO 124 -9.424 -16.123 -7.507 929 HG2 PRO 124 HG2 PRO 124 -10.968 -16.853 -5.476 930 HG3 PRO 124 HG1 PRO 124 -10.761 -15.139 -5.881 931 HD2 PRO 124 HD2 PRO 124 -13.081 -16.943 -6.396 932 HD3 PRO 124 HD1 PRO 124 -13.060 -15.218 -5.981 933 H ALA 125 HN ALA 125 -10.742 -15.004 -10.934 934 HA ALA 125 HA ALA 125 -11.466 -17.524 -12.216 935 HB1 ALA 125 HB1 ALA 125 -11.315 -16.278 -14.312 936 HB2 ALA 125 HB2 ALA 125 -10.743 -14.859 -13.433 937 HB3 ALA 125 HB3 ALA 125 -12.378 -15.464 -13.165 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 -24.977 8.672 1.522 2 H2 GLY 1 HT2 GLY 1 -26.112 9.641 2.318 3 H3 GLY 1 HT3 GLY 1 -26.608 8.229 1.532 4 HA2 GLY 1 HA1 GLY 1 -24.861 8.371 3.921 5 HA3 GLY 1 HA2 GLY 1 -26.547 7.875 3.908 6 H ALA 2 HN ALA 2 -25.223 6.040 5.002 7 HA ALA 2 HA ALA 2 -24.472 3.900 4.997 8 HB1 ALA 2 HB1 ALA 2 -25.833 3.790 2.308 9 HB2 ALA 2 HB2 ALA 2 -26.610 3.518 3.867 10 HB3 ALA 2 HB3 ALA 2 -25.367 2.406 3.294 11 H MET 3 HN MET 3 -22.404 5.297 4.651 12 HA MET 3 HA MET 3 -21.118 4.637 2.115 13 HB2 MET 3 HB2 MET 3 -19.340 6.210 2.849 14 HB3 MET 3 HB1 MET 3 -20.927 6.951 2.709 15 HG2 MET 3 HG2 MET 3 -21.205 6.887 5.110 16 HG3 MET 3 HG1 MET 3 -19.667 6.047 5.288 17 HE1 MET 3 HE1 MET 3 -20.374 8.956 2.728 18 HE2 MET 3 HE2 MET 3 -19.991 10.374 3.704 19 HE3 MET 3 HE3 MET 3 -21.393 9.381 4.104 20 H GLY 4 HN GLY 4 -19.710 3.071 1.923 21 HA2 GLY 4 HA2 GLY 4 -18.608 1.879 4.388 22 HA3 GLY 4 HA1 GLY 4 -19.010 0.957 2.944 23 H MET 5 HN MET 5 -16.939 3.557 4.113 24 HA MET 5 HA MET 5 -15.164 3.602 1.953 25 HB2 MET 5 HB2 MET 5 -15.023 4.498 4.796 26 HB3 MET 5 HB1 MET 5 -13.581 4.537 3.791 27 HG2 MET 5 HG2 MET 5 -14.795 6.674 3.884 28 HG3 MET 5 HG1 MET 5 -14.605 6.041 2.255 29 HE1 MET 5 HE1 MET 5 -16.577 8.376 2.732 30 HE2 MET 5 HE2 MET 5 -17.981 7.806 1.828 31 HE3 MET 5 HE3 MET 5 -16.356 7.536 1.197 32 HA PRO 6 HA PRO 6 -12.685 -0.051 2.764 33 HB2 PRO 6 HB2 PRO 6 -10.809 1.228 0.901 34 HB3 PRO 6 HB1 PRO 6 -11.638 -0.321 0.758 35 HG2 PRO 6 HG2 PRO 6 -12.309 1.751 -0.781 36 HG3 PRO 6 HG1 PRO 6 -13.532 0.624 -0.174 37 HD2 PRO 6 HD2 PRO 6 -12.783 3.339 0.861 38 HD3 PRO 6 HD1 PRO 6 -14.396 2.655 0.588 39 H LYS 7 HN LYS 7 -11.139 -0.355 4.261 40 HA LYS 7 HA LYS 7 -9.790 1.972 5.354 41 HB2 LYS 7 HB2 LYS 7 -10.845 0.113 6.732 42 HB3 LYS 7 HB1 LYS 7 -9.504 -0.901 6.226 43 HG2 LYS 7 HG2 LYS 7 -9.055 -0.025 8.410 44 HG3 LYS 7 HG1 LYS 7 -7.946 0.717 7.255 45 HD2 LYS 7 HD2 LYS 7 -9.182 2.752 7.250 46 HD3 LYS 7 HD1 LYS 7 -10.516 2.016 8.140 47 HE2 LYS 7 HE2 LYS 7 -9.086 1.745 10.088 48 HE3 LYS 7 HE1 LYS 7 -7.723 2.422 9.201 49 HZ1 LYS 7 HZ1 LYS 7 -10.242 3.911 9.707 50 HZ2 LYS 7 HZ2 LYS 7 -8.772 4.523 9.125 51 HZ3 LYS 7 HZ3 LYS 7 -8.886 3.989 10.720 52 H VAL 8 HN VAL 8 -8.002 2.638 4.411 53 HA VAL 8 HA VAL 8 -6.397 0.738 2.862 54 HB VAL 8 HB VAL 8 -6.293 3.758 2.827 55 HG11 VAL 8 HG11 VAL 8 -5.135 3.440 0.682 56 HG12 VAL 8 HG12 VAL 8 -5.175 1.695 0.935 57 HG13 VAL 8 HG13 VAL 8 -4.254 2.723 2.031 58 HG21 VAL 8 HG21 VAL 8 -7.609 3.667 0.783 59 HG22 VAL 8 HG22 VAL 8 -8.502 2.947 2.123 60 HG23 VAL 8 HG23 VAL 8 -7.731 1.913 0.920 61 H LEU 9 HN LEU 9 -4.406 0.178 3.496 62 HA LEU 9 HA LEU 9 -3.158 1.691 5.681 63 HB2 LEU 9 HB2 LEU 9 -3.505 -0.694 6.111 64 HB3 LEU 9 HB1 LEU 9 -2.600 -1.100 4.669 65 HG LEU 9 HG LEU 9 -0.566 -0.161 5.669 66 HD11 LEU 9 HD11 LEU 9 -1.654 1.543 7.064 67 HD12 LEU 9 HD12 LEU 9 -0.546 0.538 8.001 68 HD13 LEU 9 HD13 LEU 9 -2.288 0.271 8.111 69 HD21 LEU 9 HD21 LEU 9 -1.993 -2.155 7.421 70 HD22 LEU 9 HD22 LEU 9 -0.258 -1.843 7.426 71 HD23 LEU 9 HD23 LEU 9 -1.029 -2.518 5.990 72 H VAL 10 HN VAL 10 -1.767 3.182 4.991 73 HA VAL 10 HA VAL 10 -0.309 2.745 2.503 74 HB VAL 10 HB VAL 10 -0.707 5.174 4.236 75 HG11 VAL 10 HG11 VAL 10 1.173 4.947 1.881 76 HG12 VAL 10 HG12 VAL 10 1.657 5.155 3.564 77 HG13 VAL 10 HG13 VAL 10 0.761 6.430 2.741 78 HG21 VAL 10 HG21 VAL 10 -2.442 4.592 2.614 79 HG22 VAL 10 HG22 VAL 10 -1.236 4.603 1.324 80 HG23 VAL 10 HG23 VAL 10 -1.631 6.099 2.180 81 H LEU 11 HN LEU 11 1.581 1.858 2.505 82 HA LEU 11 HA LEU 11 3.376 2.202 4.801 83 HB2 LEU 11 HB2 LEU 11 2.981 0.077 2.851 84 HB3 LEU 11 HB1 LEU 11 4.663 0.555 2.969 85 HG LEU 11 HG LEU 11 4.267 -1.304 4.442 86 HD11 LEU 11 HD11 LEU 11 4.926 -0.318 6.589 87 HD12 LEU 11 HD12 LEU 11 4.452 1.283 6.014 88 HD13 LEU 11 HD13 LEU 11 5.795 0.433 5.250 89 HD21 LEU 11 HD21 LEU 11 1.814 -0.913 4.618 90 HD22 LEU 11 HD22 LEU 11 2.139 0.405 5.747 91 HD23 LEU 11 HD23 LEU 11 2.585 -1.247 6.164 92 H GLU 12 HN GLU 12 4.382 4.060 4.584 93 HA GLU 12 HA GLU 12 6.023 4.579 2.285 94 HB2 GLU 12 HB2 GLU 12 3.856 5.327 1.416 95 HB3 GLU 12 HB1 GLU 12 3.630 6.353 2.824 96 HG2 GLU 12 HG2 GLU 12 4.312 7.587 0.823 97 HG3 GLU 12 HG1 GLU 12 5.454 7.754 2.152 98 H ASP 13 HN ASP 13 7.799 5.431 3.072 99 HA ASP 13 HA ASP 13 7.764 6.599 5.731 100 HB2 ASP 13 HB2 ASP 13 9.481 4.919 5.119 101 HB3 ASP 13 HB1 ASP 13 10.101 6.022 3.903 102 H GLU 14 HN GLU 14 7.814 7.583 2.450 103 HA GLU 14 HA GLU 14 8.845 10.244 2.983 104 HB2 GLU 14 HB2 GLU 14 7.476 9.110 0.528 105 HB3 GLU 14 HB1 GLU 14 8.259 10.681 0.623 106 HG2 GLU 14 HG2 GLU 14 10.407 9.610 1.005 107 HG3 GLU 14 HG1 GLU 14 9.635 8.026 0.975 108 HA PRO 15 HA PRO 15 4.815 11.225 4.725 109 HB2 PRO 15 HB2 PRO 15 5.971 13.915 4.896 110 HB3 PRO 15 HB1 PRO 15 5.265 12.908 6.160 111 HG2 PRO 15 HG2 PRO 15 7.910 13.305 6.017 112 HG3 PRO 15 HG1 PRO 15 7.230 11.745 6.518 113 HD2 PRO 15 HD2 PRO 15 8.412 12.542 3.893 114 HD3 PRO 15 HD1 PRO 15 8.552 11.010 4.775 115 H LEU 16 HN LEU 16 6.424 13.191 2.266 116 HA LEU 16 HA LEU 16 4.216 14.692 1.438 117 HB2 LEU 16 HB2 LEU 16 6.590 15.021 0.718 118 HB3 LEU 16 HB1 LEU 16 6.442 13.607 -0.300 119 HG LEU 16 HG LEU 16 6.248 15.923 -1.388 120 HD11 LEU 16 HD11 LEU 16 4.116 13.856 -1.876 121 HD12 LEU 16 HD12 LEU 16 5.732 13.885 -2.583 122 HD13 LEU 16 HD13 LEU 16 4.569 15.145 -2.991 123 HD21 LEU 16 HD21 LEU 16 4.715 16.888 0.249 124 HD22 LEU 16 HD22 LEU 16 3.482 15.716 -0.215 125 HD23 LEU 16 HD23 LEU 16 4.032 16.923 -1.376 126 H ILE 17 HN ILE 17 5.393 11.551 0.305 127 HA ILE 17 HA ILE 17 3.262 11.105 -1.524 128 HB ILE 17 HB ILE 17 5.159 9.140 -0.227 129 HG12 ILE 17 HG12 ILE 17 5.286 10.603 -2.858 130 HG13 ILE 17 HG11 ILE 17 6.325 10.845 -1.474 131 HG21 ILE 17 HG21 ILE 17 3.316 8.861 -2.578 132 HG22 ILE 17 HG22 ILE 17 3.315 7.919 -1.081 133 HG23 ILE 17 HG23 ILE 17 4.643 7.757 -2.231 134 HD11 ILE 17 HD11 ILE 17 6.169 8.361 -3.138 135 HD12 ILE 17 HD12 ILE 17 7.207 8.596 -1.732 136 HD13 ILE 17 HD13 ILE 17 7.451 9.572 -3.180 137 H ALA 18 HN ALA 18 3.951 9.940 1.763 138 HA ALA 18 HA ALA 18 1.769 8.267 2.118 139 HB1 ALA 18 HB1 ALA 18 2.066 8.638 4.515 140 HB2 ALA 18 HB2 ALA 18 3.078 10.044 4.179 141 HB3 ALA 18 HB3 ALA 18 3.620 8.433 3.707 142 H MET 19 HN MET 19 2.032 11.732 2.826 143 HA MET 19 HA MET 19 -0.595 12.152 3.676 144 HB2 MET 19 HB2 MET 19 1.218 13.721 4.082 145 HB3 MET 19 HB1 MET 19 1.378 14.000 2.355 146 HG2 MET 19 HG2 MET 19 -1.028 14.780 2.429 147 HG3 MET 19 HG1 MET 19 -0.833 14.831 4.176 148 HE1 MET 19 HE1 MET 19 1.554 17.383 1.171 149 HE2 MET 19 HE2 MET 19 0.263 16.266 0.735 150 HE3 MET 19 HE3 MET 19 1.796 15.647 1.342 151 H ASN 20 HN ASN 20 0.905 12.411 0.477 152 HA ASN 20 HA ASN 20 -1.360 13.503 -0.797 153 HB2 ASN 20 HB2 ASN 20 1.301 12.519 -1.561 154 HB3 ASN 20 HB1 ASN 20 0.084 12.386 -2.813 155 HD21 ASN 20 HD21 ASN 20 2.436 14.104 -2.636 156 HD22 ASN 20 HD22 ASN 20 1.859 15.728 -2.774 157 H LEU 21 HN LEU 21 -0.168 10.178 -0.445 158 HA LEU 21 HA LEU 21 -2.204 8.949 -1.952 159 HB2 LEU 21 HB2 LEU 21 -0.470 8.030 0.319 160 HB3 LEU 21 HB1 LEU 21 -1.676 6.985 -0.390 161 HG LEU 21 HG LEU 21 0.538 8.259 -1.981 162 HD11 LEU 21 HD11 LEU 21 1.669 6.113 -1.875 163 HD12 LEU 21 HD12 LEU 21 0.421 5.492 -0.793 164 HD13 LEU 21 HD13 LEU 21 1.480 6.801 -0.263 165 HD21 LEU 21 HD21 LEU 21 -1.301 5.947 -2.547 166 HD22 LEU 21 HD22 LEU 21 -0.051 6.571 -3.622 167 HD23 LEU 21 HD23 LEU 21 -1.451 7.567 -3.223 168 H GLN 22 HN GLN 22 -1.918 9.743 1.476 169 HA GLN 22 HA GLN 22 -4.281 8.633 2.397 170 HB2 GLN 22 HB2 GLN 22 -2.376 9.683 3.714 171 HB3 GLN 22 HB1 GLN 22 -3.127 11.238 3.378 172 HG2 GLN 22 HG2 GLN 22 -5.185 10.416 4.487 173 HG3 GLN 22 HG1 GLN 22 -4.310 8.951 4.913 174 HE21 GLN 22 HE21 GLN 22 -4.552 9.331 7.104 175 HE22 GLN 22 HE22 GLN 22 -3.650 10.555 7.930 176 H TYR 23 HN TYR 23 -3.711 11.941 1.176 177 HA TYR 23 HA TYR 23 -6.397 12.775 1.311 178 HB2 TYR 23 HB2 TYR 23 -4.006 13.702 -0.239 179 HB3 TYR 23 HB1 TYR 23 -5.594 14.362 -0.611 180 HD1 TYR 23 HD2 TYR 23 -6.932 15.027 1.692 181 HD2 TYR 23 HD1 TYR 23 -2.715 14.980 1.150 182 HE1 TYR 23 HE2 TYR 23 -6.680 16.625 3.545 183 HE2 TYR 23 HE1 TYR 23 -2.450 16.572 3.005 184 HH TYR 23 HH TYR 23 -4.969 17.320 5.161 185 H ALA 24 HN ALA 24 -4.599 11.024 -1.153 186 HA ALA 24 HA ALA 24 -6.435 11.407 -3.270 187 HB1 ALA 24 HB1 ALA 24 -4.415 9.201 -2.869 188 HB2 ALA 24 HB2 ALA 24 -4.115 10.754 -3.651 189 HB3 ALA 24 HB3 ALA 24 -5.227 9.598 -4.383 190 H PHE 25 HN PHE 25 -5.934 8.677 -1.044 191 HA PHE 25 HA PHE 25 -8.048 7.098 -2.033 192 HB2 PHE 25 HB2 PHE 25 -6.576 7.159 0.586 193 HB3 PHE 25 HB1 PHE 25 -7.899 6.039 0.307 194 HD1 PHE 25 HD2 PHE 25 -7.677 4.259 -1.387 195 HD2 PHE 25 HD1 PHE 25 -4.454 6.850 -0.406 196 HE1 PHE 25 HE2 PHE 25 -6.104 2.713 -2.477 197 HE2 PHE 25 HE1 PHE 25 -2.879 5.317 -1.497 198 HZ PHE 25 HZ PHE 25 -3.741 3.163 -2.478 199 H GLU 26 HN GLU 26 -7.892 9.403 0.666 200 HA GLU 26 HA GLU 26 -10.551 9.041 1.516 201 HB2 GLU 26 HB2 GLU 26 -8.620 11.325 1.841 202 HB3 GLU 26 HB1 GLU 26 -10.235 11.358 2.536 203 HG2 GLU 26 HG2 GLU 26 -9.687 9.262 3.748 204 HG3 GLU 26 HG1 GLU 26 -8.038 9.393 3.139 205 H ASP 27 HN ASP 27 -9.160 10.925 -1.062 206 HA ASP 27 HA ASP 27 -11.447 12.571 -1.520 207 HB2 ASP 27 HB2 ASP 27 -9.056 13.007 -2.313 208 HB3 ASP 27 HB1 ASP 27 -9.391 11.837 -3.581 209 H GLU 28 HN GLU 28 -10.376 9.425 -2.617 210 HA GLU 28 HA GLU 28 -12.429 9.175 -4.620 211 HB2 GLU 28 HB2 GLU 28 -10.547 7.158 -3.393 212 HB3 GLU 28 HB1 GLU 28 -11.689 6.775 -4.671 213 HG2 GLU 28 HG2 GLU 28 -9.379 8.690 -4.827 214 HG3 GLU 28 HG1 GLU 28 -9.509 7.118 -5.612 215 H GLY 29 HN GLY 29 -12.297 8.856 -1.263 216 HA2 GLY 29 HA2 GLY 29 -14.337 8.581 -0.020 217 HA3 GLY 29 HA1 GLY 29 -14.903 7.488 -1.274 218 H ALA 30 HN ALA 30 -11.917 7.655 0.662 219 HA ALA 30 HA ALA 30 -12.614 5.076 1.861 220 HB1 ALA 30 HB1 ALA 30 -9.947 5.694 0.592 221 HB2 ALA 30 HB2 ALA 30 -11.159 4.582 -0.042 222 HB3 ALA 30 HB3 ALA 30 -10.347 4.228 1.484 223 H GLU 31 HN GLU 31 -10.826 4.553 3.599 224 HA GLU 31 HA GLU 31 -10.105 7.041 5.005 225 HB2 GLU 31 HB2 GLU 31 -12.102 5.909 6.015 226 HB3 GLU 31 HB1 GLU 31 -11.092 4.504 6.320 227 HG2 GLU 31 HG2 GLU 31 -9.698 5.770 7.815 228 HG3 GLU 31 HG1 GLU 31 -10.584 7.248 7.439 229 H VAL 32 HN VAL 32 -8.035 7.073 5.830 230 HA VAL 32 HA VAL 32 -6.393 4.793 4.921 231 HB VAL 32 HB VAL 32 -5.598 7.693 4.868 232 HG11 VAL 32 HG11 VAL 32 -3.755 6.068 4.906 233 HG12 VAL 32 HG12 VAL 32 -3.823 6.970 3.393 234 HG13 VAL 32 HG13 VAL 32 -4.414 5.309 3.456 235 HG21 VAL 32 HG21 VAL 32 -7.531 7.314 3.403 236 HG22 VAL 32 HG22 VAL 32 -6.624 6.054 2.563 237 HG23 VAL 32 HG23 VAL 32 -6.070 7.728 2.508 238 H VAL 33 HN VAL 33 -4.759 4.083 6.194 239 HA VAL 33 HA VAL 33 -4.032 5.674 8.571 240 HB VAL 33 HB VAL 33 -3.398 2.765 8.204 241 HG11 VAL 33 HG11 VAL 33 -3.487 4.568 10.610 242 HG12 VAL 33 HG12 VAL 33 -2.052 3.897 9.835 243 HG13 VAL 33 HG13 VAL 33 -3.184 2.832 10.666 244 HG21 VAL 33 HG21 VAL 33 -5.294 2.220 9.657 245 HG22 VAL 33 HG22 VAL 33 -5.812 2.924 8.124 246 HG23 VAL 33 HG23 VAL 33 -5.815 3.904 9.591 247 H VAL 34 HN VAL 34 -1.909 6.298 8.764 248 HA VAL 34 HA VAL 34 -0.176 5.610 6.492 249 HB VAL 34 HB VAL 34 0.010 7.932 8.419 250 HG11 VAL 34 HG11 VAL 34 1.771 8.759 6.889 251 HG12 VAL 34 HG12 VAL 34 1.709 7.216 6.034 252 HG13 VAL 34 HG13 VAL 34 2.220 7.270 7.720 253 HG21 VAL 34 HG21 VAL 34 -1.846 8.138 6.853 254 HG22 VAL 34 HG22 VAL 34 -0.755 7.831 5.502 255 HG23 VAL 34 HG23 VAL 34 -0.572 9.296 6.467 256 H ALA 35 HN ALA 35 1.471 4.285 6.798 257 HA ALA 35 HA ALA 35 2.819 4.266 9.408 258 HB1 ALA 35 HB1 ALA 35 1.279 2.278 9.147 259 HB2 ALA 35 HB2 ALA 35 2.971 1.910 9.486 260 HB3 ALA 35 HB3 ALA 35 2.343 1.735 7.842 261 H ALA 36 HN ALA 36 5.014 4.143 9.316 262 HA ALA 36 HA ALA 36 6.190 4.253 6.622 263 HB1 ALA 36 HB1 ALA 36 6.529 6.220 8.054 264 HB2 ALA 36 HB2 ALA 36 8.051 5.433 7.633 265 HB3 ALA 36 HB3 ALA 36 7.347 5.200 9.239 266 H THR 37 HN THR 37 5.916 2.237 9.319 267 HA THR 37 HA THR 37 8.234 0.669 8.408 268 HB THR 37 HB THR 37 8.652 -0.062 10.703 269 HG1 THR 37 HG1 THR 37 7.483 1.348 12.353 270 HG21 THR 37 HG21 THR 37 9.866 1.898 9.939 271 HG22 THR 37 HG22 THR 37 9.477 2.055 11.651 272 HG23 THR 37 HG23 THR 37 8.540 2.943 10.451 273 H CYS 38 HN CYS 38 8.046 -1.671 9.075 274 HA CYS 38 HA CYS 38 5.485 -2.695 8.396 275 HB2 CYS 38 HB2 CYS 38 7.872 -4.099 9.608 276 HB3 CYS 38 HB1 CYS 38 6.451 -4.904 8.958 277 HG CYS 38 HG CYS 38 8.867 -3.206 7.252 278 H GLU 39 HN GLU 39 7.184 -2.091 11.398 279 HA GLU 39 HA GLU 39 5.439 -3.442 13.131 280 HB2 GLU 39 HB2 GLU 39 7.128 -0.996 13.616 281 HB3 GLU 39 HB1 GLU 39 6.335 -1.917 14.880 282 HG2 GLU 39 HG2 GLU 39 7.654 -3.883 14.268 283 HG3 GLU 39 HG1 GLU 39 8.459 -2.945 13.013 284 H GLN 40 HN GLN 40 5.472 -0.026 12.078 285 HA GLN 40 HA GLN 40 3.139 0.797 13.373 286 HB2 GLN 40 HB2 GLN 40 4.493 1.668 10.839 287 HB3 GLN 40 HB1 GLN 40 3.023 2.434 11.388 288 HG2 GLN 40 HG2 GLN 40 4.104 3.134 13.419 289 HG3 GLN 40 HG1 GLN 40 5.571 2.283 12.948 290 HE21 GLN 40 HE21 GLN 40 6.813 4.141 13.011 291 HE22 GLN 40 HE22 GLN 40 6.689 5.379 11.813 292 H ALA 41 HN ALA 41 3.648 -0.734 10.270 293 HA ALA 41 HA ALA 41 1.046 -0.558 9.262 294 HB1 ALA 41 HB1 ALA 41 3.043 -2.744 8.750 295 HB2 ALA 41 HB2 ALA 41 3.082 -1.154 7.987 296 HB3 ALA 41 HB3 ALA 41 1.718 -2.239 7.702 297 H LEU 42 HN LEU 42 2.659 -3.271 10.909 298 HA LEU 42 HA LEU 42 0.403 -4.946 10.924 299 HB2 LEU 42 HB2 LEU 42 2.790 -4.948 12.764 300 HB3 LEU 42 HB1 LEU 42 1.676 -6.275 12.525 301 HG LEU 42 HG LEU 42 3.422 -5.133 10.352 302 HD11 LEU 42 HD11 LEU 42 4.794 -6.117 12.084 303 HD12 LEU 42 HD12 LEU 42 4.789 -7.141 10.646 304 HD13 LEU 42 HD13 LEU 42 3.819 -7.587 12.049 305 HD21 LEU 42 HD21 LEU 42 1.448 -6.199 9.475 306 HD22 LEU 42 HD22 LEU 42 1.714 -7.617 10.488 307 HD23 LEU 42 HD23 LEU 42 2.842 -7.239 9.188 308 H LYS 43 HN LYS 43 1.539 -2.463 13.119 309 HA LYS 43 HA LYS 43 -0.163 -3.076 15.291 310 HB2 LYS 43 HB2 LYS 43 1.835 -1.445 15.182 311 HB3 LYS 43 HB1 LYS 43 0.699 -0.290 14.508 312 HG2 LYS 43 HG2 LYS 43 0.250 -1.628 17.158 313 HG3 LYS 43 HG1 LYS 43 1.174 -0.139 16.991 314 HD2 LYS 43 HD2 LYS 43 -0.805 0.912 15.931 315 HD3 LYS 43 HD1 LYS 43 -1.715 -0.566 16.238 316 HE2 LYS 43 HE2 LYS 43 -0.414 1.160 18.341 317 HE3 LYS 43 HE1 LYS 43 -2.129 1.159 17.942 318 HZ1 LYS 43 HZ1 LYS 43 -0.605 -1.159 19.006 319 HZ2 LYS 43 HZ2 LYS 43 -2.254 -1.151 18.633 320 HZ3 LYS 43 HZ3 LYS 43 -1.669 -0.188 19.889 321 H SER 44 HN SER 44 -0.537 -0.902 12.514 322 HA SER 44 HA SER 44 -3.181 -0.133 13.164 323 HB2 SER 44 HB2 SER 44 -1.822 -0.029 10.471 324 HB3 SER 44 HB1 SER 44 -3.143 0.965 11.053 325 HG SER 44 HG SER 44 -0.426 1.017 11.822 326 H LEU 45 HN LEU 45 -1.749 -2.708 11.275 327 HA LEU 45 HA LEU 45 -4.058 -3.568 9.913 328 HB2 LEU 45 HB2 LEU 45 -1.646 -4.189 9.471 329 HB3 LEU 45 HB1 LEU 45 -1.756 -5.276 10.840 330 HG LEU 45 HG LEU 45 -3.622 -6.459 9.661 331 HD11 LEU 45 HD11 LEU 45 -3.820 -6.095 7.239 332 HD12 LEU 45 HD12 LEU 45 -2.742 -4.703 7.376 333 HD13 LEU 45 HD13 LEU 45 -4.313 -4.683 8.173 334 HD21 LEU 45 HD21 LEU 45 -1.344 -7.313 9.671 335 HD22 LEU 45 HD22 LEU 45 -0.966 -6.341 8.249 336 HD23 LEU 45 HD23 LEU 45 -2.142 -7.650 8.134 337 H ALA 46 HN ALA 46 -2.704 -4.308 13.087 338 HA ALA 46 HA ALA 46 -4.648 -6.339 13.682 339 HB1 ALA 46 HB1 ALA 46 -2.800 -4.845 15.538 340 HB2 ALA 46 HB2 ALA 46 -2.417 -6.346 14.697 341 HB3 ALA 46 HB3 ALA 46 -3.689 -6.320 15.917 342 H ASP 47 HN ASP 47 -4.310 -2.915 14.239 343 HA ASP 47 HA ASP 47 -6.458 -2.750 16.145 344 HB2 ASP 47 HB2 ASP 47 -4.496 -1.224 16.161 345 HB3 ASP 47 HB1 ASP 47 -5.044 -0.544 14.635 346 H ASN 48 HN ASN 48 -6.037 -2.197 12.713 347 HA ASN 48 HA ASN 48 -8.906 -1.535 12.504 348 HB2 ASN 48 HB2 ASN 48 -6.655 -0.557 10.738 349 HB3 ASN 48 HB1 ASN 48 -8.368 -0.212 10.523 350 HD21 ASN 48 HD21 ASN 48 -5.523 0.480 12.293 351 HD22 ASN 48 HD22 ASN 48 -6.130 1.838 13.174 352 HA PRO 49 HA PRO 49 -9.123 -4.895 9.637 353 HB2 PRO 49 HB2 PRO 49 -11.593 -4.409 8.687 354 HB3 PRO 49 HB1 PRO 49 -11.313 -5.012 10.320 355 HG2 PRO 49 HG2 PRO 49 -12.090 -2.301 9.417 356 HG3 PRO 49 HG1 PRO 49 -12.440 -3.120 10.946 357 HD2 PRO 49 HD2 PRO 49 -10.431 -1.181 10.475 358 HD3 PRO 49 HD1 PRO 49 -10.634 -2.160 11.925 359 H ILE 50 HN ILE 50 -7.503 -4.196 8.212 360 HA ILE 50 HA ILE 50 -7.823 -2.114 6.327 361 HB ILE 50 HB ILE 50 -5.855 -4.396 6.472 362 HG12 ILE 50 HG12 ILE 50 -5.725 -2.857 8.344 363 HG13 ILE 50 HG11 ILE 50 -4.322 -2.663 7.309 364 HG21 ILE 50 HG21 ILE 50 -4.474 -3.149 4.922 365 HG22 ILE 50 HG22 ILE 50 -5.742 -1.936 4.753 366 HG23 ILE 50 HG23 ILE 50 -6.017 -3.582 4.186 367 HD11 ILE 50 HD11 ILE 50 -5.060 -0.503 7.998 368 HD12 ILE 50 HD12 ILE 50 -6.713 -0.853 7.495 369 HD13 ILE 50 HD13 ILE 50 -5.442 -0.691 6.284 370 H ASP 51 HN ASP 51 -8.751 -2.103 4.388 371 HA ASP 51 HA ASP 51 -9.749 -4.624 3.278 372 HB2 ASP 51 HB2 ASP 51 -10.449 -1.749 2.651 373 HB3 ASP 51 HB1 ASP 51 -11.127 -3.136 1.814 374 H VAL 52 HN VAL 52 -7.517 -2.046 2.708 375 HA VAL 52 HA VAL 52 -6.320 -3.452 0.508 376 HB VAL 52 HB VAL 52 -8.170 -2.188 -0.601 377 HG11 VAL 52 HG11 VAL 52 -6.671 0.196 0.445 378 HG12 VAL 52 HG12 VAL 52 -8.341 -0.261 0.790 379 HG13 VAL 52 HG13 VAL 52 -7.884 0.268 -0.829 380 HG21 VAL 52 HG21 VAL 52 -6.793 -1.181 -2.362 381 HG22 VAL 52 HG22 VAL 52 -6.181 -2.760 -1.864 382 HG23 VAL 52 HG23 VAL 52 -5.386 -1.289 -1.306 383 H ALA 53 HN ALA 53 -4.266 -2.389 -0.142 384 HA ALA 53 HA ALA 53 -3.336 -0.338 1.709 385 HB1 ALA 53 HB1 ALA 53 -1.474 -1.595 2.498 386 HB2 ALA 53 HB2 ALA 53 -1.851 -2.937 1.417 387 HB3 ALA 53 HB3 ALA 53 -2.928 -2.560 2.764 388 H VAL 54 HN VAL 54 -1.165 0.430 1.194 389 HA VAL 54 HA VAL 54 -0.248 -0.090 -1.541 390 HB VAL 54 HB VAL 54 0.299 2.596 -1.195 391 HG11 VAL 54 HG11 VAL 54 -1.530 2.905 -2.891 392 HG12 VAL 54 HG12 VAL 54 -1.902 1.190 -2.685 393 HG13 VAL 54 HG13 VAL 54 -0.316 1.688 -3.288 394 HG21 VAL 54 HG21 VAL 54 -2.544 2.122 -0.317 395 HG22 VAL 54 HG22 VAL 54 -1.782 3.685 -0.615 396 HG23 VAL 54 HG23 VAL 54 -1.236 2.677 0.724 397 H LEU 55 HN LEU 55 1.799 -0.759 -1.343 398 HA LEU 55 HA LEU 55 3.248 0.050 1.090 399 HB2 LEU 55 HB2 LEU 55 3.012 -2.560 -0.336 400 HB3 LEU 55 HB1 LEU 55 4.451 -2.221 0.596 401 HG LEU 55 HG LEU 55 3.121 -2.019 2.633 402 HD11 LEU 55 HD11 LEU 55 1.051 -1.145 1.700 403 HD12 LEU 55 HD12 LEU 55 0.755 -2.603 2.653 404 HD13 LEU 55 HD13 LEU 55 0.759 -2.686 0.890 405 HD21 LEU 55 HD21 LEU 55 2.339 -4.365 2.761 406 HD22 LEU 55 HD22 LEU 55 3.961 -4.194 2.093 407 HD23 LEU 55 HD23 LEU 55 2.596 -4.505 1.020 408 H ASP 56 HN ASP 56 5.025 1.253 0.753 409 HA ASP 56 HA ASP 56 6.464 1.029 -1.754 410 HB2 ASP 56 HB2 ASP 56 6.330 3.233 -0.624 411 HB3 ASP 56 HB1 ASP 56 7.232 2.574 0.737 412 H VAL 57 HN VAL 57 7.714 -0.565 -2.096 413 HA VAL 57 HA VAL 57 8.695 -2.424 -0.280 414 HB VAL 57 HB VAL 57 9.744 -1.703 -3.030 415 HG11 VAL 57 HG11 VAL 57 10.689 -3.903 -3.126 416 HG12 VAL 57 HG12 VAL 57 10.051 -4.289 -1.532 417 HG13 VAL 57 HG13 VAL 57 11.311 -3.071 -1.702 418 HG21 VAL 57 HG21 VAL 57 7.369 -2.242 -3.032 419 HG22 VAL 57 HG22 VAL 57 7.706 -3.762 -2.201 420 HG23 VAL 57 HG23 VAL 57 8.307 -3.498 -3.838 421 H ASN 58 HN ASN 58 9.867 0.693 -1.194 422 HA ASN 58 HA ASN 58 12.410 0.159 0.200 423 HB2 ASN 58 HB2 ASN 58 12.640 0.813 -2.196 424 HB3 ASN 58 HB1 ASN 58 11.858 2.342 -1.824 425 HD21 ASN 58 HD21 ASN 58 12.974 3.892 -0.659 426 HD22 ASN 58 HD22 ASN 58 14.684 3.809 -0.411 427 H LEU 59 HN LEU 59 11.074 0.501 2.150 428 HA LEU 59 HA LEU 59 10.157 3.111 2.824 429 HB2 LEU 59 HB2 LEU 59 11.072 0.869 4.637 430 HB3 LEU 59 HB1 LEU 59 10.164 2.282 5.141 431 HG LEU 59 HG LEU 59 9.163 0.136 3.268 432 HD11 LEU 59 HD11 LEU 59 8.439 0.745 6.130 433 HD12 LEU 59 HD12 LEU 59 9.370 -0.646 5.570 434 HD13 LEU 59 HD13 LEU 59 7.677 -0.471 5.104 435 HD21 LEU 59 HD21 LEU 59 8.213 2.301 2.739 436 HD22 LEU 59 HD22 LEU 59 7.787 2.553 4.432 437 HD23 LEU 59 HD23 LEU 59 7.003 1.273 3.505 438 H GLY 60 HN GLY 60 13.164 1.425 2.925 439 HA2 GLY 60 HA2 GLY 60 14.639 3.865 3.013 440 HA3 GLY 60 HA1 GLY 60 14.789 2.950 4.510 441 HA PRO 61 HA PRO 61 18.088 1.499 1.446 442 HB2 PRO 61 HB2 PRO 61 19.374 1.502 4.123 443 HB3 PRO 61 HB1 PRO 61 20.083 1.886 2.557 444 HG2 PRO 61 HG2 PRO 61 19.469 3.839 4.195 445 HG3 PRO 61 HG1 PRO 61 19.010 3.977 2.484 446 HD2 PRO 61 HD2 PRO 61 17.314 3.259 4.845 447 HD3 PRO 61 HD1 PRO 61 16.947 4.310 3.471 448 H LYS 62 HN LYS 62 17.360 0.434 4.771 449 HA LYS 62 HA LYS 62 17.513 -2.351 3.821 450 HB2 LYS 62 HB2 LYS 62 17.842 -1.199 6.593 451 HB3 LYS 62 HB1 LYS 62 17.629 -2.916 6.298 452 HG2 LYS 62 HG2 LYS 62 19.936 -2.604 6.547 453 HG3 LYS 62 HG1 LYS 62 19.677 -2.774 4.811 454 HD2 LYS 62 HD2 LYS 62 19.743 -0.327 4.584 455 HD3 LYS 62 HD1 LYS 62 20.046 -0.183 6.315 456 HE2 LYS 62 HE2 LYS 62 21.823 -1.591 4.324 457 HE3 LYS 62 HE1 LYS 62 22.105 0.013 4.995 458 HZ1 LYS 62 HZ1 LYS 62 23.409 -1.634 6.152 459 HZ2 LYS 62 HZ2 LYS 62 22.025 -2.528 6.529 460 HZ3 LYS 62 HZ3 LYS 62 22.248 -0.992 7.200 461 H SER 63 HN SER 63 15.522 0.012 5.458 462 HA SER 63 HA SER 63 13.497 -1.736 6.337 463 HB2 SER 63 HB2 SER 63 13.415 1.225 5.733 464 HB3 SER 63 HB1 SER 63 12.143 0.332 6.566 465 HG SER 63 HG SER 63 14.839 0.420 7.450 466 H HIS 64 HN HIS 64 11.863 -2.658 5.317 467 HA HIS 64 HA HIS 64 11.014 -1.697 2.691 468 HB2 HIS 64 HB2 HIS 64 11.246 -3.959 1.713 469 HB3 HIS 64 HB1 HIS 64 12.801 -3.303 2.198 470 HD1 HIS 64 HD1 HIS 64 10.168 -5.649 3.640 471 HD2 HIS 64 HD2 HIS 64 14.269 -5.047 3.655 472 HE1 HIS 64 HE1 HIS 64 11.113 -7.535 4.990 473 HE2 HIS 64 HE2 HIS 64 13.609 -7.263 4.806 474 H CYS 65 HN CYS 65 8.855 -2.297 2.177 475 HA CYS 65 HA CYS 65 7.194 -3.236 4.282 476 HB2 CYS 65 HB2 CYS 65 5.419 -3.121 2.646 477 HB3 CYS 65 HB1 CYS 65 6.467 -1.724 2.443 478 HG CYS 65 HG CYS 65 7.016 -4.446 0.533 479 H GLY 66 HN GLY 66 8.140 -5.248 4.922 480 HA2 GLY 66 HA2 GLY 66 7.954 -7.401 2.905 481 HA3 GLY 66 HA1 GLY 66 9.034 -7.422 4.290 482 HA PRO 67 HA PRO 67 6.135 -9.562 6.872 483 HB2 PRO 67 HB2 PRO 67 6.081 -7.242 8.708 484 HB3 PRO 67 HB1 PRO 67 6.452 -8.931 9.037 485 HG2 PRO 67 HG2 PRO 67 8.357 -7.043 8.933 486 HG3 PRO 67 HG1 PRO 67 8.644 -8.720 8.438 487 HD2 PRO 67 HD2 PRO 67 8.337 -6.288 6.780 488 HD3 PRO 67 HD1 PRO 67 9.221 -7.786 6.452 489 H VAL 68 HN VAL 68 5.516 -6.231 6.008 490 HA VAL 68 HA VAL 68 2.738 -6.202 6.679 491 HB VAL 68 HB VAL 68 4.031 -4.506 4.549 492 HG11 VAL 68 HG11 VAL 68 2.326 -2.910 5.107 493 HG12 VAL 68 HG12 VAL 68 1.751 -3.929 6.428 494 HG13 VAL 68 HG13 VAL 68 1.574 -4.467 4.757 495 HG21 VAL 68 HG21 VAL 68 4.038 -4.047 7.527 496 HG22 VAL 68 HG22 VAL 68 4.523 -2.864 6.313 497 HG23 VAL 68 HG23 VAL 68 5.444 -4.356 6.507 498 H ALA 69 HN ALA 69 4.567 -6.661 3.693 499 HA ALA 69 HA ALA 69 2.440 -6.997 1.924 500 HB1 ALA 69 HB1 ALA 69 5.162 -8.301 1.864 501 HB2 ALA 69 HB2 ALA 69 4.761 -6.714 1.203 502 HB3 ALA 69 HB3 ALA 69 4.049 -8.169 0.501 503 H ASP 70 HN ASP 70 4.330 -9.402 3.701 504 HA ASP 70 HA ASP 70 2.847 -11.659 2.914 505 HB2 ASP 70 HB2 ASP 70 5.112 -11.693 3.987 506 HB3 ASP 70 HB1 ASP 70 4.353 -11.241 5.511 507 H ALA 71 HN ALA 71 2.491 -9.408 5.605 508 HA ALA 71 HA ALA 71 0.496 -10.661 7.083 509 HB1 ALA 71 HB1 ALA 71 -0.009 -8.493 7.966 510 HB2 ALA 71 HB2 ALA 71 0.755 -7.707 6.582 511 HB3 ALA 71 HB3 ALA 71 1.736 -8.622 7.731 512 H LEU 72 HN LEU 72 0.216 -8.390 4.385 513 HA LEU 72 HA LEU 72 -2.612 -8.435 4.260 514 HB2 LEU 72 HB2 LEU 72 -0.547 -7.661 2.210 515 HB3 LEU 72 HB1 LEU 72 -2.265 -7.352 2.061 516 HG LEU 72 HG LEU 72 -0.537 -6.259 4.279 517 HD11 LEU 72 HD11 LEU 72 0.144 -5.347 2.168 518 HD12 LEU 72 HD12 LEU 72 -0.729 -4.135 3.112 519 HD13 LEU 72 HD13 LEU 72 -1.530 -4.955 1.764 520 HD21 LEU 72 HD21 LEU 72 -2.489 -4.775 4.629 521 HD22 LEU 72 HD22 LEU 72 -2.847 -6.476 4.931 522 HD23 LEU 72 HD23 LEU 72 -3.379 -5.718 3.431 523 H LYS 73 HN LYS 73 -0.056 -10.110 2.520 524 HA LYS 73 HA LYS 73 -1.581 -11.594 0.729 525 HB2 LYS 73 HB2 LYS 73 1.015 -12.162 2.120 526 HB3 LYS 73 HB1 LYS 73 0.372 -13.213 0.880 527 HG2 LYS 73 HG2 LYS 73 1.088 -10.312 0.559 528 HG3 LYS 73 HG1 LYS 73 2.022 -11.685 -0.008 529 HD2 LYS 73 HD2 LYS 73 -0.777 -11.082 -0.925 530 HD3 LYS 73 HD1 LYS 73 0.673 -10.543 -1.770 531 HE2 LYS 73 HE2 LYS 73 1.362 -12.987 -1.819 532 HE3 LYS 73 HE1 LYS 73 -0.291 -13.352 -1.323 533 HZ1 LYS 73 HZ1 LYS 73 -1.100 -12.239 -3.299 534 HZ2 LYS 73 HZ2 LYS 73 -0.019 -13.465 -3.726 535 HZ3 LYS 73 HZ3 LYS 73 0.478 -11.848 -3.768 536 H GLN 74 HN GLN 74 -0.728 -12.221 4.085 537 HA GLN 74 HA GLN 74 -1.820 -14.800 4.334 538 HB2 GLN 74 HB2 GLN 74 -1.316 -12.596 6.315 539 HB3 GLN 74 HB1 GLN 74 -2.069 -14.104 6.804 540 HG2 GLN 74 HG2 GLN 74 -0.108 -15.337 6.055 541 HG3 GLN 74 HG1 GLN 74 0.645 -13.829 5.538 542 HE21 GLN 74 HE21 GLN 74 1.445 -12.419 7.069 543 HE22 GLN 74 HE22 GLN 74 1.655 -12.858 8.727 544 H ARG 75 HN ARG 75 -3.271 -11.605 4.917 545 HA ARG 75 HA ARG 75 -5.801 -12.824 5.643 546 HB2 ARG 75 HB2 ARG 75 -5.063 -9.914 5.327 547 HB3 ARG 75 HB1 ARG 75 -6.562 -10.522 6.008 548 HG2 ARG 75 HG2 ARG 75 -5.304 -11.541 7.848 549 HG3 ARG 75 HG1 ARG 75 -3.807 -10.898 7.164 550 HD2 ARG 75 HD2 ARG 75 -4.750 -8.618 7.361 551 HD3 ARG 75 HD1 ARG 75 -6.170 -9.303 8.144 552 HE ARG 75 HE ARG 75 -3.590 -9.859 9.375 553 HH11 ARG 75 HH11 ARG 75 -6.559 -8.003 9.380 554 HH12 ARG 75 HH12 ARG 75 -6.333 -7.404 10.992 555 HH21 ARG 75 HH21 ARG 75 -3.289 -9.076 11.507 556 HH22 ARG 75 HH22 ARG 75 -4.484 -8.031 12.212 557 H ALA 76 HN ALA 76 -4.343 -12.374 2.815 558 HA ALA 76 HA ALA 76 -4.959 -12.237 0.642 559 HB1 ALA 76 HB1 ALA 76 -7.718 -12.836 1.708 560 HB2 ALA 76 HB2 ALA 76 -6.500 -14.030 1.256 561 HB3 ALA 76 HB3 ALA 76 -7.200 -12.978 0.027 562 H ILE 77 HN ILE 77 -4.887 -9.827 2.211 563 HA ILE 77 HA ILE 77 -7.047 -8.159 1.231 564 HB ILE 77 HB ILE 77 -4.539 -7.479 2.780 565 HG12 ILE 77 HG12 ILE 77 -7.385 -7.533 3.777 566 HG13 ILE 77 HG11 ILE 77 -6.316 -8.928 3.890 567 HG21 ILE 77 HG21 ILE 77 -6.927 -5.782 2.078 568 HG22 ILE 77 HG22 ILE 77 -5.268 -5.560 1.521 569 HG23 ILE 77 HG23 ILE 77 -5.665 -5.323 3.223 570 HD11 ILE 77 HD11 ILE 77 -6.408 -7.635 5.966 571 HD12 ILE 77 HD12 ILE 77 -5.772 -6.230 5.108 572 HD13 ILE 77 HD13 ILE 77 -4.786 -7.686 5.276 573 HA PRO 78 HA PRO 78 -4.783 -7.198 -2.471 574 HB2 PRO 78 HB2 PRO 78 -6.400 -5.149 -3.292 575 HB3 PRO 78 HB1 PRO 78 -6.697 -6.857 -3.601 576 HG2 PRO 78 HG2 PRO 78 -8.015 -5.034 -1.723 577 HG3 PRO 78 HG1 PRO 78 -8.603 -6.549 -2.415 578 HD2 PRO 78 HD2 PRO 78 -7.633 -6.142 0.192 579 HD3 PRO 78 HD1 PRO 78 -7.977 -7.696 -0.575 580 H PHE 79 HN PHE 79 -3.183 -5.837 -2.960 581 HA PHE 79 HA PHE 79 -3.135 -3.145 -1.961 582 HB2 PHE 79 HB2 PHE 79 -1.020 -3.359 -0.732 583 HB3 PHE 79 HB1 PHE 79 -2.331 -4.246 0.015 584 HD1 PHE 79 HD2 PHE 79 -2.439 -6.792 -0.536 585 HD2 PHE 79 HD1 PHE 79 0.997 -4.352 -1.067 586 HE1 PHE 79 HE2 PHE 79 -1.015 -8.799 -0.467 587 HE2 PHE 79 HE1 PHE 79 2.431 -6.349 -0.997 588 HZ PHE 79 HZ PHE 79 1.423 -8.578 -0.695 589 H ILE 80 HN ILE 80 -1.416 -1.909 -2.796 590 HA ILE 80 HA ILE 80 -0.137 -3.138 -5.156 591 HB ILE 80 HB ILE 80 -1.002 -0.255 -4.855 592 HG12 ILE 80 HG12 ILE 80 -2.133 -2.534 -6.484 593 HG13 ILE 80 HG11 ILE 80 -2.934 -1.658 -5.185 594 HG21 ILE 80 HG21 ILE 80 -0.367 -0.040 -7.228 595 HG22 ILE 80 HG22 ILE 80 0.254 -1.693 -7.195 596 HG23 ILE 80 HG23 ILE 80 1.010 -0.445 -6.202 597 HD11 ILE 80 HD11 ILE 80 -2.932 0.360 -6.558 598 HD12 ILE 80 HD12 ILE 80 -3.779 -0.976 -7.340 599 HD13 ILE 80 HD13 ILE 80 -2.152 -0.537 -7.861 600 H LEU 81 HN LEU 81 2.031 -2.788 -5.418 601 HA LEU 81 HA LEU 81 3.407 -1.582 -3.155 602 HB2 LEU 81 HB2 LEU 81 4.506 -3.002 -5.586 603 HB3 LEU 81 HB1 LEU 81 5.473 -2.405 -4.255 604 HG LEU 81 HG LEU 81 5.303 -4.688 -3.847 605 HD11 LEU 81 HD11 LEU 81 3.074 -3.425 -2.263 606 HD12 LEU 81 HD12 LEU 81 4.791 -3.395 -1.858 607 HD13 LEU 81 HD13 LEU 81 3.910 -4.923 -1.855 608 HD21 LEU 81 HD21 LEU 81 3.582 -5.151 -5.541 609 HD22 LEU 81 HD22 LEU 81 2.349 -4.567 -4.423 610 HD23 LEU 81 HD23 LEU 81 3.292 -6.003 -4.025 611 H HIS 82 HN HIS 82 3.552 0.536 -3.225 612 HA HIS 82 HA HIS 82 4.120 1.831 -5.798 613 HB2 HIS 82 HB2 HIS 82 2.103 2.663 -4.685 614 HB3 HIS 82 HB1 HIS 82 2.999 2.975 -3.210 615 HD1 HIS 82 HD1 HIS 82 1.691 5.369 -3.869 616 HD2 HIS 82 HD2 HIS 82 5.130 4.359 -5.973 617 HE1 HIS 82 HE1 HIS 82 2.500 7.507 -4.912 618 HE2 HIS 82 HE2 HIS 82 4.686 6.911 -5.991 619 H THR 83 HN THR 83 6.218 1.012 -5.615 620 HA THR 83 HA THR 83 7.884 2.067 -3.453 621 HB THR 83 HB THR 83 7.839 -0.374 -3.758 622 HG1 THR 83 HG1 THR 83 9.788 0.776 -3.089 623 HG21 THR 83 HG21 THR 83 7.372 -0.356 -6.179 624 HG22 THR 83 HG22 THR 83 8.732 -1.409 -5.760 625 HG23 THR 83 HG23 THR 83 9.032 0.175 -6.474 626 H GLY 84 HN GLY 84 10.016 2.820 -3.959 627 HA2 GLY 84 HA2 GLY 84 10.211 3.957 -6.667 628 HA3 GLY 84 HA1 GLY 84 11.053 4.574 -5.246 629 H ASP 85 HN ASP 85 11.038 1.225 -5.305 630 HA ASP 85 HA ASP 85 13.598 1.059 -6.716 631 HB2 ASP 85 HB2 ASP 85 14.279 1.282 -4.431 632 HB3 ASP 85 HB1 ASP 85 13.062 0.125 -3.899 633 H LEU 86 HN LEU 86 13.952 -0.840 -7.750 634 HA LEU 86 HA LEU 86 11.977 -2.976 -7.360 635 HB2 LEU 86 HB2 LEU 86 13.010 -1.902 -9.986 636 HB3 LEU 86 HB1 LEU 86 12.090 -3.385 -9.828 637 HG LEU 86 HG LEU 86 11.043 -0.670 -9.018 638 HD11 LEU 86 HD11 LEU 86 11.461 -0.723 -11.418 639 HD12 LEU 86 HD12 LEU 86 9.731 -0.754 -11.081 640 HD13 LEU 86 HD13 LEU 86 10.564 -2.235 -11.552 641 HD21 LEU 86 HD21 LEU 86 8.874 -1.808 -9.038 642 HD22 LEU 86 HD22 LEU 86 9.980 -2.537 -7.873 643 HD23 LEU 86 HD23 LEU 86 9.679 -3.330 -9.419 644 H ASP 87 HN ASP 87 15.245 -2.011 -8.158 645 HA ASP 87 HA ASP 87 16.075 -4.734 -8.686 646 HB2 ASP 87 HB2 ASP 87 18.223 -3.841 -9.278 647 HB3 ASP 87 HB1 ASP 87 16.980 -2.845 -10.022 648 H ARG 88 HN ARG 88 16.470 -2.348 -6.096 649 HA ARG 88 HA ARG 88 18.589 -3.759 -4.811 650 HB2 ARG 88 HB2 ARG 88 18.187 -1.339 -4.543 651 HB3 ARG 88 HB1 ARG 88 16.731 -1.709 -3.630 652 HG2 ARG 88 HG2 ARG 88 17.930 -2.559 -1.828 653 HG3 ARG 88 HG1 ARG 88 19.398 -2.776 -2.788 654 HD2 ARG 88 HD2 ARG 88 19.592 -0.359 -3.017 655 HD3 ARG 88 HD1 ARG 88 18.148 -0.146 -2.033 656 HE ARG 88 HE ARG 88 20.068 -1.678 -0.630 657 HH11 ARG 88 HH11 ARG 88 19.374 1.600 -1.646 658 HH12 ARG 88 HH12 ARG 88 20.312 2.327 -0.380 659 HH21 ARG 88 HH21 ARG 88 21.308 -0.728 1.032 660 HH22 ARG 88 HH22 ARG 88 21.419 1.002 1.144 661 H HIS 89 HN HIS 89 15.137 -3.378 -3.996 662 HA HIS 89 HA HIS 89 15.365 -5.675 -2.172 663 HB2 HIS 89 HB2 HIS 89 13.001 -3.851 -2.672 664 HB3 HIS 89 HB1 HIS 89 13.104 -5.088 -1.431 665 HD1 HIS 89 HD1 HIS 89 14.847 -4.582 0.549 666 HD2 HIS 89 HD2 HIS 89 13.908 -1.399 -1.949 667 HE1 HIS 89 HE1 HIS 89 15.507 -2.513 1.815 668 HE2 HIS 89 HE2 HIS 89 15.005 -0.596 0.254 669 H GLY 90 HN GLY 90 15.519 -6.029 -5.066 670 HA2 GLY 90 HA2 GLY 90 13.102 -6.616 -6.311 671 HA3 GLY 90 HA1 GLY 90 14.644 -7.300 -6.761 672 H GLU 91 HN GLU 91 15.069 -8.682 -4.252 673 HA GLU 91 HA GLU 91 13.755 -11.108 -4.772 674 HB2 GLU 91 HB2 GLU 91 15.196 -10.127 -2.317 675 HB3 GLU 91 HB1 GLU 91 14.613 -11.774 -2.507 676 HG2 GLU 91 HG2 GLU 91 16.588 -10.410 -4.317 677 HG3 GLU 91 HG1 GLU 91 16.988 -11.539 -3.029 678 H LEU 92 HN LEU 92 12.817 -8.351 -2.921 679 HA LEU 92 HA LEU 92 10.986 -9.709 -1.193 680 HB2 LEU 92 HB2 LEU 92 12.157 -7.479 -0.780 681 HB3 LEU 92 HB1 LEU 92 10.966 -6.778 -1.853 682 HG LEU 92 HG LEU 92 9.188 -7.685 -0.303 683 HD11 LEU 92 HD11 LEU 92 11.556 -8.060 1.520 684 HD12 LEU 92 HD12 LEU 92 10.582 -9.353 0.820 685 HD13 LEU 92 HD13 LEU 92 9.858 -8.227 1.966 686 HD21 LEU 92 HD21 LEU 92 11.154 -5.562 0.464 687 HD22 LEU 92 HD22 LEU 92 9.761 -5.921 1.485 688 HD23 LEU 92 HD23 LEU 92 9.519 -5.394 -0.177 689 H LEU 93 HN LEU 93 10.633 -7.705 -4.140 690 HA LEU 93 HA LEU 93 7.830 -7.662 -4.157 691 HB2 LEU 93 HB2 LEU 93 8.532 -7.590 -6.812 692 HB3 LEU 93 HB1 LEU 93 8.343 -6.211 -5.776 693 HG LEU 93 HG LEU 93 10.995 -7.571 -6.001 694 HD11 LEU 93 HD11 LEU 93 10.350 -7.190 -8.269 695 HD12 LEU 93 HD12 LEU 93 11.475 -5.912 -7.806 696 HD13 LEU 93 HD13 LEU 93 9.741 -5.586 -7.871 697 HD21 LEU 93 HD21 LEU 93 11.811 -5.348 -5.480 698 HD22 LEU 93 HD22 LEU 93 10.628 -5.854 -4.270 699 HD23 LEU 93 HD23 LEU 93 10.165 -4.710 -5.530 700 H ARG 94 HN ARG 94 10.143 -9.925 -5.439 701 HA ARG 94 HA ARG 94 8.444 -11.498 -7.009 702 HB2 ARG 94 HB2 ARG 94 10.918 -12.313 -5.469 703 HB3 ARG 94 HB1 ARG 94 10.155 -13.270 -6.731 704 HG2 ARG 94 HG2 ARG 94 10.616 -11.535 -8.362 705 HG3 ARG 94 HG1 ARG 94 11.326 -10.523 -7.105 706 HD2 ARG 94 HD2 ARG 94 13.067 -12.205 -6.738 707 HD3 ARG 94 HD1 ARG 94 12.350 -13.219 -7.992 708 HE ARG 94 HE ARG 94 12.906 -10.656 -9.034 709 HH11 ARG 94 HH11 ARG 94 14.567 -13.556 -7.990 710 HH12 ARG 94 HH12 ARG 94 15.905 -13.327 -9.070 711 HH21 ARG 94 HH21 ARG 94 14.670 -10.346 -10.441 712 HH22 ARG 94 HH22 ARG 94 15.967 -11.500 -10.464 713 H LYS 95 HN LYS 95 9.039 -11.499 -3.552 714 HA LYS 95 HA LYS 95 7.598 -13.957 -3.103 715 HB2 LYS 95 HB2 LYS 95 8.608 -11.869 -1.167 716 HB3 LYS 95 HB1 LYS 95 7.912 -13.416 -0.705 717 HG2 LYS 95 HG2 LYS 95 9.732 -14.577 -1.851 718 HG3 LYS 95 HG1 LYS 95 10.431 -13.022 -2.307 719 HD2 LYS 95 HD2 LYS 95 10.688 -12.455 0.066 720 HD3 LYS 95 HD1 LYS 95 10.007 -14.021 0.509 721 HE2 LYS 95 HE2 LYS 95 12.442 -14.060 0.633 722 HE3 LYS 95 HE1 LYS 95 11.855 -15.149 -0.624 723 HZ1 LYS 95 HZ1 LYS 95 13.755 -13.858 -1.370 724 HZ2 LYS 95 HZ2 LYS 95 12.923 -12.417 -1.076 725 HZ3 LYS 95 HZ3 LYS 95 12.380 -13.473 -2.277 726 H ILE 96 HN ILE 96 6.922 -10.564 -3.130 727 HA ILE 96 HA ILE 96 4.593 -10.579 -1.540 728 HB ILE 96 HB ILE 96 5.467 -8.644 -3.689 729 HG12 ILE 96 HG12 ILE 96 5.777 -8.537 -0.679 730 HG13 ILE 96 HG11 ILE 96 7.070 -8.874 -1.827 731 HG21 ILE 96 HG21 ILE 96 3.116 -8.407 -3.303 732 HG22 ILE 96 HG22 ILE 96 3.956 -7.064 -2.527 733 HG23 ILE 96 HG23 ILE 96 3.359 -8.407 -1.557 734 HD11 ILE 96 HD11 ILE 96 7.148 -6.576 -1.039 735 HD12 ILE 96 HD12 ILE 96 5.511 -6.308 -1.636 736 HD13 ILE 96 HD13 ILE 96 6.818 -6.643 -2.770 737 H ASP 97 HN ASP 97 5.055 -10.603 -5.074 738 HA ASP 97 HA ASP 97 3.645 -11.028 -6.806 739 HB2 ASP 97 HB2 ASP 97 3.707 -13.292 -5.807 740 HB3 ASP 97 HB1 ASP 97 2.308 -12.882 -4.820 741 H ALA 98 HN ALA 98 2.913 -8.832 -6.596 742 HA ALA 98 HA ALA 98 0.057 -8.623 -6.488 743 HB1 ALA 98 HB1 ALA 98 -0.042 -6.915 -4.729 744 HB2 ALA 98 HB2 ALA 98 1.681 -7.122 -4.425 745 HB3 ALA 98 HB3 ALA 98 0.564 -8.443 -4.090 746 HA PRO 99 HA PRO 99 0.754 -5.448 -9.422 747 HB2 PRO 99 HB2 PRO 99 -1.056 -3.631 -7.944 748 HB3 PRO 99 HB1 PRO 99 -1.166 -4.217 -9.603 749 HG2 PRO 99 HG2 PRO 99 -2.797 -5.166 -7.735 750 HG3 PRO 99 HG1 PRO 99 -2.094 -6.239 -8.956 751 HD2 PRO 99 HD2 PRO 99 -1.282 -5.847 -6.106 752 HD3 PRO 99 HD1 PRO 99 -1.444 -7.354 -7.033 753 H VAL 100 HN VAL 100 2.214 -3.907 -9.781 754 HA VAL 100 HA VAL 100 3.242 -2.409 -7.464 755 HB VAL 100 HB VAL 100 4.801 -3.310 -9.896 756 HG11 VAL 100 HG11 VAL 100 5.670 -1.260 -8.917 757 HG12 VAL 100 HG12 VAL 100 6.772 -2.608 -8.632 758 HG13 VAL 100 HG13 VAL 100 5.731 -2.029 -7.331 759 HG21 VAL 100 HG21 VAL 100 4.852 -4.414 -7.090 760 HG22 VAL 100 HG22 VAL 100 5.899 -4.911 -8.420 761 HG23 VAL 100 HG23 VAL 100 4.164 -5.213 -8.502 762 H MET 101 HN MET 101 3.375 -0.257 -7.623 763 HA MET 101 HA MET 101 3.227 0.998 -10.283 764 HB2 MET 101 HB2 MET 101 1.849 1.909 -7.747 765 HB3 MET 101 HB1 MET 101 2.024 2.916 -9.177 766 HG2 MET 101 HG2 MET 101 0.752 1.289 -10.468 767 HG3 MET 101 HG1 MET 101 0.555 0.294 -9.033 768 HE1 MET 101 HE1 MET 101 -0.614 3.325 -11.075 769 HE2 MET 101 HE2 MET 101 0.234 4.202 -9.803 770 HE3 MET 101 HE3 MET 101 -1.525 4.305 -9.923 771 H ALA 102 HN ALA 102 5.410 1.267 -10.403 772 HA ALA 102 HA ALA 102 7.108 2.054 -8.324 773 HB1 ALA 102 HB1 ALA 102 7.878 0.968 -10.380 774 HB2 ALA 102 HB2 ALA 102 8.765 2.457 -10.052 775 HB3 ALA 102 HB3 ALA 102 7.506 2.434 -11.288 776 H LYS 103 HN LYS 103 7.884 3.963 -7.628 777 HA LYS 103 HA LYS 103 6.376 6.334 -8.400 778 HB2 LYS 103 HB2 LYS 103 7.071 7.300 -6.352 779 HB3 LYS 103 HB1 LYS 103 6.756 5.614 -5.988 780 HG2 LYS 103 HG2 LYS 103 9.076 5.113 -5.988 781 HG3 LYS 103 HG1 LYS 103 9.480 6.760 -6.467 782 HD2 LYS 103 HD2 LYS 103 9.802 6.317 -4.045 783 HD3 LYS 103 HD1 LYS 103 8.646 7.610 -4.366 784 HE2 LYS 103 HE2 LYS 103 6.798 6.169 -3.891 785 HE3 LYS 103 HE1 LYS 103 7.852 4.753 -3.824 786 HZ1 LYS 103 HZ1 LYS 103 7.060 6.087 -1.657 787 HZ2 LYS 103 HZ2 LYS 103 8.516 6.908 -1.979 788 HZ3 LYS 103 HZ3 LYS 103 8.521 5.229 -1.738 789 HA PRO 104 HA PRO 104 6.925 8.757 -7.895 790 HB2 PRO 104 HB2 PRO 104 6.841 10.182 -10.450 791 HB3 PRO 104 HB1 PRO 104 7.151 10.808 -8.831 792 HG2 PRO 104 HG2 PRO 104 9.096 10.633 -10.682 793 HG3 PRO 104 HG1 PRO 104 9.415 10.387 -8.955 794 HD2 PRO 104 HD2 PRO 104 9.090 8.356 -11.131 795 HD3 PRO 104 HD1 PRO 104 10.247 8.389 -9.784 796 H ALA 105 HN ALA 105 4.813 8.490 -7.927 797 HA ALA 105 HA ALA 105 3.420 7.749 -10.386 798 HB1 ALA 105 HB1 ALA 105 3.201 6.188 -7.802 799 HB2 ALA 105 HB2 ALA 105 3.924 5.609 -9.307 800 HB3 ALA 105 HB3 ALA 105 2.191 5.947 -9.235 801 H ASP 106 HN ASP 106 1.461 8.742 -10.507 802 HA ASP 106 HA ASP 106 0.881 10.794 -8.641 803 HB2 ASP 106 HB2 ASP 106 0.217 10.896 -11.040 804 HB3 ASP 106 HB1 ASP 106 -0.969 9.630 -10.738 805 H THR 107 HN THR 107 -0.206 10.750 -6.831 806 HA THR 107 HA THR 107 -0.755 8.265 -5.650 807 HB THR 107 HB THR 107 -1.640 9.665 -3.751 808 HG1 THR 107 HG1 THR 107 -2.085 11.686 -4.183 809 HG21 THR 107 HG21 THR 107 0.700 8.940 -3.931 810 HG22 THR 107 HG22 THR 107 0.579 10.541 -3.199 811 HG23 THR 107 HG23 THR 107 1.068 10.377 -4.889 812 H SER 108 HN SER 108 -2.805 10.475 -7.379 813 HA SER 108 HA SER 108 -5.271 9.438 -6.396 814 HB2 SER 108 HB2 SER 108 -5.075 11.649 -7.519 815 HB3 SER 108 HB1 SER 108 -4.710 10.823 -9.031 816 HG SER 108 HG SER 108 -7.115 10.750 -7.531 817 H ASP 109 HN ASP 109 -3.140 8.689 -9.107 818 HA ASP 109 HA ASP 109 -4.804 6.713 -10.293 819 HB2 ASP 109 HB2 ASP 109 -1.848 7.269 -10.458 820 HB3 ASP 109 HB1 ASP 109 -2.586 5.911 -11.299 821 H VAL 110 HN VAL 110 -2.155 6.621 -7.995 822 HA VAL 110 HA VAL 110 -1.992 3.853 -7.662 823 HB VAL 110 HB VAL 110 -1.489 5.926 -5.518 824 HG11 VAL 110 HG11 VAL 110 -1.540 3.571 -4.776 825 HG12 VAL 110 HG12 VAL 110 0.056 4.306 -4.609 826 HG13 VAL 110 HG13 VAL 110 -0.271 3.200 -5.945 827 HG21 VAL 110 HG21 VAL 110 0.387 4.900 -7.646 828 HG22 VAL 110 HG22 VAL 110 0.809 5.998 -6.332 829 HG23 VAL 110 HG23 VAL 110 -0.321 6.514 -7.587 830 H ALA 111 HN ALA 111 -3.972 6.290 -6.045 831 HA ALA 111 HA ALA 111 -5.132 4.608 -4.106 832 HB1 ALA 111 HB1 ALA 111 -6.781 6.376 -3.823 833 HB2 ALA 111 HB2 ALA 111 -6.245 7.131 -5.325 834 HB3 ALA 111 HB3 ALA 111 -5.154 7.047 -3.941 835 H LYS 112 HN LYS 112 -6.326 5.688 -7.270 836 HA LYS 112 HA LYS 112 -8.818 4.397 -7.108 837 HB2 LYS 112 HB2 LYS 112 -7.207 5.259 -9.512 838 HB3 LYS 112 HB1 LYS 112 -8.882 4.726 -9.581 839 HG2 LYS 112 HG2 LYS 112 -9.597 6.576 -8.248 840 HG3 LYS 112 HG1 LYS 112 -7.928 7.055 -7.933 841 HD2 LYS 112 HD2 LYS 112 -7.627 7.506 -10.332 842 HD3 LYS 112 HD1 LYS 112 -9.313 7.070 -10.612 843 HE2 LYS 112 HE2 LYS 112 -10.063 8.893 -9.222 844 HE3 LYS 112 HE1 LYS 112 -8.400 9.285 -8.786 845 HZ1 LYS 112 HZ1 LYS 112 -9.542 9.457 -11.519 846 HZ2 LYS 112 HZ2 LYS 112 -7.965 9.872 -11.074 847 HZ3 LYS 112 HZ3 LYS 112 -9.272 10.768 -10.485 848 H ARG 113 HN ARG 113 -5.717 3.329 -8.451 849 HA ARG 113 HA ARG 113 -6.767 0.910 -9.518 850 HB2 ARG 113 HB2 ARG 113 -3.940 1.740 -8.908 851 HB3 ARG 113 HB1 ARG 113 -4.380 0.253 -9.743 852 HG2 ARG 113 HG2 ARG 113 -4.905 3.067 -10.666 853 HG3 ARG 113 HG1 ARG 113 -3.771 1.911 -11.351 854 HD2 ARG 113 HD2 ARG 113 -5.614 0.446 -11.978 855 HD3 ARG 113 HD1 ARG 113 -6.760 1.580 -11.268 856 HE ARG 113 HE ARG 113 -5.054 2.642 -13.359 857 HH11 ARG 113 HH11 ARG 113 -8.154 1.251 -12.487 858 HH12 ARG 113 HH12 ARG 113 -8.948 1.822 -13.925 859 HH21 ARG 113 HH21 ARG 113 -6.101 3.393 -15.247 860 HH22 ARG 113 HH22 ARG 113 -7.784 3.045 -15.490 861 H ALA 114 HN ALA 114 -5.594 1.853 -6.395 862 HA ALA 114 HA ALA 114 -5.337 -0.842 -5.420 863 HB1 ALA 114 HB1 ALA 114 -5.159 0.267 -3.190 864 HB2 ALA 114 HB2 ALA 114 -5.428 1.814 -3.994 865 HB3 ALA 114 HB3 ALA 114 -3.996 0.860 -4.379 866 H LEU 115 HN LEU 115 -7.701 1.788 -5.069 867 HA LEU 115 HA LEU 115 -9.401 0.418 -3.310 868 HB2 LEU 115 HB2 LEU 115 -9.855 2.759 -5.124 869 HB3 LEU 115 HB1 LEU 115 -11.075 2.159 -4.014 870 HG LEU 115 HG LEU 115 -8.352 3.204 -3.241 871 HD11 LEU 115 HD11 LEU 115 -9.807 4.982 -3.935 872 HD12 LEU 115 HD12 LEU 115 -9.649 5.003 -2.177 873 HD13 LEU 115 HD13 LEU 115 -11.107 4.355 -2.924 874 HD21 LEU 115 HD21 LEU 115 -10.624 2.134 -1.578 875 HD22 LEU 115 HD22 LEU 115 -9.253 3.028 -0.929 876 HD23 LEU 115 HD23 LEU 115 -8.998 1.474 -1.717 877 H GLU 116 HN GLU 116 -9.203 0.318 -6.799 878 HA GLU 116 HA GLU 116 -11.792 -0.764 -7.216 879 HB2 GLU 116 HB2 GLU 116 -10.920 -1.479 -9.423 880 HB3 GLU 116 HB1 GLU 116 -10.612 0.203 -9.069 881 HG2 GLU 116 HG2 GLU 116 -8.322 -0.289 -8.507 882 HG3 GLU 116 HG1 GLU 116 -8.626 -1.993 -8.798 883 H MET 117 HN MET 117 -8.750 -2.163 -6.255 884 HA MET 117 HA MET 117 -9.508 -4.864 -6.792 885 HB2 MET 117 HB2 MET 117 -7.305 -3.725 -5.069 886 HB3 MET 117 HB1 MET 117 -7.509 -5.432 -5.413 887 HG2 MET 117 HG2 MET 117 -7.365 -4.776 -7.871 888 HG3 MET 117 HG1 MET 117 -6.772 -3.225 -7.292 889 HE1 MET 117 HE1 MET 117 -3.492 -4.289 -5.399 890 HE2 MET 117 HE2 MET 117 -5.078 -4.358 -4.630 891 HE3 MET 117 HE3 MET 117 -4.666 -3.003 -5.686 892 H CYS 118 HN CYS 118 -10.054 -2.648 -4.202 893 HA CYS 118 HA CYS 118 -11.079 -4.824 -2.528 894 HB2 CYS 118 HB2 CYS 118 -11.096 -3.130 -0.728 895 HB3 CYS 118 HB1 CYS 118 -9.493 -3.379 -1.399 896 HG CYS 118 HG CYS 118 -11.157 -0.902 -2.888 897 H GLY 119 HN GLY 119 -12.347 -3.649 -4.946 898 HA2 GLY 119 HA2 GLY 119 -14.470 -1.939 -4.223 899 HA3 GLY 119 HA1 GLY 119 -14.415 -2.957 -5.655 900 H GLY 120 HN GLY 120 -14.128 -5.426 -4.161 901 HA2 GLY 120 HA2 GLY 120 -15.352 -6.697 -2.538 902 HA3 GLY 120 HA1 GLY 120 -16.666 -5.538 -2.682 903 H ASP 121 HN ASP 121 -14.817 -7.738 -4.784 904 HA ASP 121 HA ASP 121 -17.219 -8.271 -6.329 905 HB2 ASP 121 HB2 ASP 121 -14.341 -9.119 -6.642 906 HB3 ASP 121 HB1 ASP 121 -15.631 -9.795 -7.632 907 H LYS 122 HN LYS 122 -17.803 -9.022 -3.938 908 HA LYS 122 HA LYS 122 -17.053 -11.752 -3.359 909 HB2 LYS 122 HB2 LYS 122 -17.478 -9.911 -1.652 910 HB3 LYS 122 HB1 LYS 122 -19.187 -10.150 -1.992 911 HG2 LYS 122 HG2 LYS 122 -18.993 -12.491 -1.338 912 HG3 LYS 122 HG1 LYS 122 -17.283 -12.245 -0.986 913 HD2 LYS 122 HD2 LYS 122 -19.563 -10.811 0.341 914 HD3 LYS 122 HD1 LYS 122 -18.675 -12.169 1.026 915 HE2 LYS 122 HE2 LYS 122 -17.522 -9.474 0.309 916 HE3 LYS 122 HE1 LYS 122 -17.885 -10.041 1.937 917 HZ1 LYS 122 HZ1 LYS 122 -16.255 -11.811 1.632 918 HZ2 LYS 122 HZ2 LYS 122 -15.548 -10.289 1.449 919 HZ3 LYS 122 HZ3 LYS 122 -15.888 -11.230 0.087 920 H GLU 123 HN GLU 123 -17.898 -12.380 -5.539 921 HA GLU 123 HA GLU 123 -20.808 -12.671 -5.604 922 HB2 GLU 123 HB2 GLU 123 -18.754 -13.272 -7.738 923 HB3 GLU 123 HB1 GLU 123 -20.498 -13.348 -7.940 924 HG2 GLU 123 HG2 GLU 123 -20.588 -10.914 -7.402 925 HG3 GLU 123 HG1 GLU 123 -18.825 -10.902 -7.433 926 HA PRO 124 HA PRO 124 -20.329 -16.829 -4.106 927 HB2 PRO 124 HB2 PRO 124 -22.873 -17.660 -4.648 928 HB3 PRO 124 HB1 PRO 124 -22.444 -16.677 -3.244 929 HG2 PRO 124 HG2 PRO 124 -23.619 -15.834 -5.861 930 HG3 PRO 124 HG1 PRO 124 -24.027 -15.291 -4.224 931 HD2 PRO 124 HD2 PRO 124 -22.477 -13.834 -5.885 932 HD3 PRO 124 HD1 PRO 124 -22.235 -13.839 -4.125 933 H ALA 125 HN ALA 125 -19.241 -18.281 -5.240 934 HA ALA 125 HA ALA 125 -20.046 -18.833 -8.010 935 HB1 ALA 125 HB1 ALA 125 -17.742 -18.060 -7.729 936 HB2 ALA 125 HB2 ALA 125 -17.792 -19.719 -8.326 937 HB3 ALA 125 HB3 ALA 125 -17.422 -19.403 -6.630 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 -22.679 -1.414 -1.054 2 H2 GLY 1 HT2 GLY 1 -23.647 -0.882 -2.335 3 H3 GLY 1 HT3 GLY 1 -24.226 -2.060 -1.273 4 HA2 GLY 1 HA1 GLY 1 -25.256 0.019 -0.752 5 HA3 GLY 1 HA2 GLY 1 -24.179 -0.462 0.549 6 H ALA 2 HN ALA 2 -21.817 0.221 -1.187 7 HA ALA 2 HA ALA 2 -20.416 1.945 -1.595 8 HB1 ALA 2 HB1 ALA 2 -22.126 2.649 -3.202 9 HB2 ALA 2 HB2 ALA 2 -21.301 4.027 -2.476 10 HB3 ALA 2 HB3 ALA 2 -22.921 3.586 -1.938 11 H MET 3 HN MET 3 -21.439 1.365 1.124 12 HA MET 3 HA MET 3 -20.782 3.957 2.357 13 HB2 MET 3 HB2 MET 3 -22.685 1.854 3.404 14 HB3 MET 3 HB1 MET 3 -22.209 3.304 4.272 15 HG2 MET 3 HG2 MET 3 -23.707 3.225 1.664 16 HG3 MET 3 HG1 MET 3 -24.407 3.537 3.252 17 HE1 MET 3 HE1 MET 3 -24.594 7.018 1.438 18 HE2 MET 3 HE2 MET 3 -25.514 5.735 2.224 19 HE3 MET 3 HE3 MET 3 -24.742 5.438 0.667 20 H GLY 4 HN GLY 4 -19.993 3.601 4.685 21 HA2 GLY 4 HA2 GLY 4 -18.758 2.360 6.248 22 HA3 GLY 4 HA1 GLY 4 -18.599 1.069 5.067 23 H MET 5 HN MET 5 -17.699 2.701 2.946 24 HA MET 5 HA MET 5 -15.801 3.218 1.908 25 HB2 MET 5 HB2 MET 5 -14.591 5.081 2.611 26 HB3 MET 5 HB1 MET 5 -16.213 5.315 3.237 27 HG2 MET 5 HG2 MET 5 -15.501 4.575 5.404 28 HG3 MET 5 HG1 MET 5 -13.881 4.281 4.792 29 HE1 MET 5 HE1 MET 5 -15.731 8.515 4.897 30 HE2 MET 5 HE2 MET 5 -16.643 7.043 5.232 31 HE3 MET 5 HE3 MET 5 -16.038 7.354 3.605 32 HA PRO 6 HA PRO 6 -12.900 0.152 2.839 33 HB2 PRO 6 HB2 PRO 6 -10.844 1.198 1.197 34 HB3 PRO 6 HB1 PRO 6 -12.020 -0.049 0.795 35 HG2 PRO 6 HG2 PRO 6 -11.877 2.600 -0.212 36 HG3 PRO 6 HG1 PRO 6 -13.102 1.379 -0.553 37 HD2 PRO 6 HD2 PRO 6 -13.282 3.738 1.116 38 HD3 PRO 6 HD1 PRO 6 -14.566 2.659 0.558 39 H LYS 7 HN LYS 7 -11.349 -0.244 4.268 40 HA LYS 7 HA LYS 7 -9.967 1.998 5.513 41 HB2 LYS 7 HB2 LYS 7 -11.044 0.080 6.799 42 HB3 LYS 7 HB1 LYS 7 -9.745 -0.938 6.196 43 HG2 LYS 7 HG2 LYS 7 -9.088 -0.297 8.346 44 HG3 LYS 7 HG1 LYS 7 -8.149 0.727 7.255 45 HD2 LYS 7 HD2 LYS 7 -9.805 2.533 7.587 46 HD3 LYS 7 HD1 LYS 7 -10.657 1.507 8.743 47 HE2 LYS 7 HE2 LYS 7 -8.385 1.376 9.955 48 HE3 LYS 7 HE1 LYS 7 -7.950 2.772 8.973 49 HZ1 LYS 7 HZ1 LYS 7 -10.074 2.564 11.015 50 HZ2 LYS 7 HZ2 LYS 7 -10.071 3.803 9.866 51 HZ3 LYS 7 HZ3 LYS 7 -8.780 3.653 10.952 52 H VAL 8 HN VAL 8 -8.224 2.685 4.455 53 HA VAL 8 HA VAL 8 -6.629 0.771 2.905 54 HB VAL 8 HB VAL 8 -6.617 3.794 2.807 55 HG11 VAL 8 HG11 VAL 8 -5.382 1.768 0.943 56 HG12 VAL 8 HG12 VAL 8 -4.509 2.796 2.082 57 HG13 VAL 8 HG13 VAL 8 -5.376 3.520 0.726 58 HG21 VAL 8 HG21 VAL 8 -7.896 3.596 0.758 59 HG22 VAL 8 HG22 VAL 8 -8.764 2.820 2.085 60 HG23 VAL 8 HG23 VAL 8 -7.899 1.836 0.901 61 H LEU 9 HN LEU 9 -4.572 0.322 3.390 62 HA LEU 9 HA LEU 9 -3.300 1.813 5.581 63 HB2 LEU 9 HB2 LEU 9 -3.653 -0.532 6.090 64 HB3 LEU 9 HB1 LEU 9 -2.871 -1.011 4.600 65 HG LEU 9 HG LEU 9 -0.729 -0.188 5.423 66 HD11 LEU 9 HD11 LEU 9 -1.616 1.653 6.800 67 HD12 LEU 9 HD12 LEU 9 -0.488 0.631 7.696 68 HD13 LEU 9 HD13 LEU 9 -2.226 0.471 7.959 69 HD21 LEU 9 HD21 LEU 9 -1.295 -2.486 5.894 70 HD22 LEU 9 HD22 LEU 9 -2.166 -2.002 7.351 71 HD23 LEU 9 HD23 LEU 9 -0.417 -1.797 7.263 72 H VAL 10 HN VAL 10 -1.860 3.263 4.857 73 HA VAL 10 HA VAL 10 -0.441 2.752 2.348 74 HB VAL 10 HB VAL 10 -0.775 5.239 4.019 75 HG11 VAL 10 HG11 VAL 10 1.031 4.921 1.614 76 HG12 VAL 10 HG12 VAL 10 1.570 5.164 3.275 77 HG13 VAL 10 HG13 VAL 10 0.668 6.433 2.447 78 HG21 VAL 10 HG21 VAL 10 -1.434 4.577 1.151 79 HG22 VAL 10 HG22 VAL 10 -1.744 6.121 1.951 80 HG23 VAL 10 HG23 VAL 10 -2.583 4.665 2.487 81 H LEU 11 HN LEU 11 1.577 2.134 2.253 82 HA LEU 11 HA LEU 11 3.231 2.242 4.681 83 HB2 LEU 11 HB2 LEU 11 2.786 0.184 2.697 84 HB3 LEU 11 HB1 LEU 11 4.488 0.599 2.786 85 HG LEU 11 HG LEU 11 4.107 -1.250 4.252 86 HD11 LEU 11 HD11 LEU 11 4.281 1.288 5.901 87 HD12 LEU 11 HD12 LEU 11 5.631 0.491 5.091 88 HD13 LEU 11 HD13 LEU 11 4.786 -0.327 6.406 89 HD21 LEU 11 HD21 LEU 11 1.678 -0.928 4.432 90 HD22 LEU 11 HD22 LEU 11 1.946 0.438 5.520 91 HD23 LEU 11 HD23 LEU 11 2.430 -1.187 6.004 92 H GLU 12 HN GLU 12 4.340 4.088 4.563 93 HA GLU 12 HA GLU 12 6.293 4.474 2.509 94 HB2 GLU 12 HB2 GLU 12 4.419 5.289 1.223 95 HB3 GLU 12 HB1 GLU 12 3.878 6.298 2.555 96 HG2 GLU 12 HG2 GLU 12 4.961 7.558 0.746 97 HG3 GLU 12 HG1 GLU 12 5.757 7.751 2.298 98 H ASP 13 HN ASP 13 7.923 5.672 3.290 99 HA ASP 13 HA ASP 13 7.701 6.591 6.042 100 HB2 ASP 13 HB2 ASP 13 9.593 5.178 5.523 101 HB3 ASP 13 HB1 ASP 13 10.072 6.233 4.206 102 H GLU 14 HN GLU 14 8.158 7.867 2.805 103 HA GLU 14 HA GLU 14 8.863 10.517 3.679 104 HB2 GLU 14 HB2 GLU 14 8.015 9.384 1.015 105 HB3 GLU 14 HB1 GLU 14 8.283 11.105 1.253 106 HG2 GLU 14 HG2 GLU 14 10.595 10.568 2.012 107 HG3 GLU 14 HG1 GLU 14 10.295 8.891 1.561 108 HA PRO 15 HA PRO 15 4.694 11.354 5.050 109 HB2 PRO 15 HB2 PRO 15 5.740 14.093 5.240 110 HB3 PRO 15 HB1 PRO 15 4.956 13.102 6.466 111 HG2 PRO 15 HG2 PRO 15 7.583 13.561 6.558 112 HG3 PRO 15 HG1 PRO 15 6.914 11.978 6.999 113 HD2 PRO 15 HD2 PRO 15 8.281 12.823 4.475 114 HD3 PRO 15 HD1 PRO 15 8.414 11.300 5.375 115 H LEU 16 HN LEU 16 6.375 13.292 2.621 116 HA LEU 16 HA LEU 16 4.093 14.706 1.737 117 HB2 LEU 16 HB2 LEU 16 6.458 15.321 1.238 118 HB3 LEU 16 HB1 LEU 16 6.549 13.955 0.148 119 HG LEU 16 HG LEU 16 6.173 16.301 -0.841 120 HD11 LEU 16 HD11 LEU 16 6.024 14.297 -2.178 121 HD12 LEU 16 HD12 LEU 16 4.740 15.421 -2.623 122 HD13 LEU 16 HD13 LEU 16 4.375 14.018 -1.619 123 HD21 LEU 16 HD21 LEU 16 3.369 15.690 0.077 124 HD22 LEU 16 HD22 LEU 16 3.846 17.011 -0.991 125 HD23 LEU 16 HD23 LEU 16 4.400 16.987 0.683 126 H ILE 17 HN ILE 17 5.660 11.763 0.512 127 HA ILE 17 HA ILE 17 3.747 11.190 -1.487 128 HB ILE 17 HB ILE 17 5.592 9.324 0.024 129 HG12 ILE 17 HG12 ILE 17 5.917 10.710 -2.636 130 HG13 ILE 17 HG11 ILE 17 6.771 11.087 -1.158 131 HG21 ILE 17 HG21 ILE 17 4.123 8.899 -2.564 132 HG22 ILE 17 HG22 ILE 17 3.809 8.080 -1.030 133 HG23 ILE 17 HG23 ILE 17 5.334 7.818 -1.877 134 HD11 ILE 17 HD11 ILE 17 8.150 9.809 -2.699 135 HD12 ILE 17 HD12 ILE 17 6.969 8.500 -2.661 136 HD13 ILE 17 HD13 ILE 17 7.861 8.927 -1.200 137 H ALA 18 HN ALA 18 4.153 10.029 1.831 138 HA ALA 18 HA ALA 18 2.013 8.248 1.913 139 HB1 ALA 18 HB1 ALA 18 2.184 8.416 4.329 140 HB2 ALA 18 HB2 ALA 18 3.141 9.892 4.174 141 HB3 ALA 18 HB3 ALA 18 3.788 8.355 3.596 142 H MET 19 HN MET 19 2.112 11.676 2.901 143 HA MET 19 HA MET 19 -0.593 11.841 3.640 144 HB2 MET 19 HB2 MET 19 1.291 13.407 4.257 145 HB3 MET 19 HB1 MET 19 1.126 14.095 2.647 146 HG2 MET 19 HG2 MET 19 -1.207 14.648 3.143 147 HG3 MET 19 HG1 MET 19 -0.985 14.016 4.771 148 HE1 MET 19 HE1 MET 19 1.680 16.045 2.692 149 HE2 MET 19 HE2 MET 19 1.248 17.699 3.126 150 HE3 MET 19 HE3 MET 19 0.131 16.716 2.181 151 H ASN 20 HN ASN 20 1.072 12.292 0.577 152 HA ASN 20 HA ASN 20 -1.070 13.494 -0.815 153 HB2 ASN 20 HB2 ASN 20 1.572 12.428 -1.413 154 HB3 ASN 20 HB1 ASN 20 0.425 12.097 -2.693 155 HD21 ASN 20 HD21 ASN 20 2.727 13.827 -2.710 156 HD22 ASN 20 HD22 ASN 20 2.154 15.418 -3.080 157 H LEU 21 HN LEU 21 0.025 10.123 -0.544 158 HA LEU 21 HA LEU 21 -2.054 8.962 -2.023 159 HB2 LEU 21 HB2 LEU 21 -0.312 7.977 0.216 160 HB3 LEU 21 HB1 LEU 21 -1.537 6.960 -0.504 161 HG LEU 21 HG LEU 21 0.648 8.250 -2.116 162 HD11 LEU 21 HD11 LEU 21 1.809 6.117 -2.039 163 HD12 LEU 21 HD12 LEU 21 0.597 5.481 -0.927 164 HD13 LEU 21 HD13 LEU 21 1.653 6.800 -0.420 165 HD21 LEU 21 HD21 LEU 21 0.035 6.567 -3.748 166 HD22 LEU 21 HD22 LEU 21 -1.376 7.529 -3.296 167 HD23 LEU 21 HD23 LEU 21 -1.164 5.906 -2.637 168 H GLN 22 HN GLN 22 -1.730 9.740 1.394 169 HA GLN 22 HA GLN 22 -4.074 8.702 2.394 170 HB2 GLN 22 HB2 GLN 22 -2.203 9.811 3.671 171 HB3 GLN 22 HB1 GLN 22 -2.888 11.356 3.195 172 HG2 GLN 22 HG2 GLN 22 -4.970 10.770 4.352 173 HG3 GLN 22 HG1 GLN 22 -4.237 9.252 4.859 174 HE21 GLN 22 HE21 GLN 22 -4.446 9.742 7.025 175 HE22 GLN 22 HE22 GLN 22 -3.447 10.912 7.811 176 H TYR 23 HN TYR 23 -3.585 12.008 1.105 177 HA TYR 23 HA TYR 23 -6.295 12.755 1.313 178 HB2 TYR 23 HB2 TYR 23 -4.042 13.787 -0.399 179 HB3 TYR 23 HB1 TYR 23 -5.645 14.503 -0.415 180 HD1 TYR 23 HD2 TYR 23 -6.335 14.382 2.467 181 HD2 TYR 23 HD1 TYR 23 -2.695 15.439 0.544 182 HE1 TYR 23 HE2 TYR 23 -5.727 15.769 4.400 183 HE2 TYR 23 HE1 TYR 23 -2.074 16.831 2.472 184 HH TYR 23 HH TYR 23 -3.635 16.639 5.449 185 H ALA 24 HN ALA 24 -4.509 11.052 -1.151 186 HA ALA 24 HA ALA 24 -6.344 11.408 -3.269 187 HB1 ALA 24 HB1 ALA 24 -4.028 10.713 -3.627 188 HB2 ALA 24 HB2 ALA 24 -5.160 9.573 -4.352 189 HB3 ALA 24 HB3 ALA 24 -4.362 9.176 -2.830 190 H PHE 25 HN PHE 25 -5.884 8.739 -0.961 191 HA PHE 25 HA PHE 25 -8.053 7.201 -1.935 192 HB2 PHE 25 HB2 PHE 25 -6.482 7.180 0.625 193 HB3 PHE 25 HB1 PHE 25 -7.865 6.121 0.400 194 HD1 PHE 25 HD2 PHE 25 -7.818 4.358 -1.280 195 HD2 PHE 25 HD1 PHE 25 -4.405 6.775 -0.499 196 HE1 PHE 25 HE2 PHE 25 -6.398 2.714 -2.423 197 HE2 PHE 25 HE1 PHE 25 -2.974 5.128 -1.649 198 HZ PHE 25 HZ PHE 25 -3.973 3.099 -2.608 199 H GLU 26 HN GLU 26 -7.764 9.593 0.663 200 HA GLU 26 HA GLU 26 -10.366 9.323 1.690 201 HB2 GLU 26 HB2 GLU 26 -8.533 11.720 1.608 202 HB3 GLU 26 HB1 GLU 26 -10.045 11.679 2.504 203 HG2 GLU 26 HG2 GLU 26 -9.159 9.778 3.814 204 HG3 GLU 26 HG1 GLU 26 -7.625 9.949 2.961 205 H ASP 27 HN ASP 27 -9.085 11.150 -1.022 206 HA ASP 27 HA ASP 27 -11.439 12.625 -1.583 207 HB2 ASP 27 HB2 ASP 27 -9.144 13.174 -2.422 208 HB3 ASP 27 HB1 ASP 27 -9.292 11.819 -3.529 209 H GLU 28 HN GLU 28 -10.356 9.410 -2.415 210 HA GLU 28 HA GLU 28 -12.482 8.986 -4.330 211 HB2 GLU 28 HB2 GLU 28 -10.542 7.047 -3.063 212 HB3 GLU 28 HB1 GLU 28 -11.702 6.621 -4.311 213 HG2 GLU 28 HG2 GLU 28 -9.373 8.501 -4.559 214 HG3 GLU 28 HG1 GLU 28 -9.549 6.915 -5.302 215 H GLY 29 HN GLY 29 -12.447 9.231 -1.059 216 HA2 GLY 29 HA2 GLY 29 -14.276 8.917 0.355 217 HA3 GLY 29 HA1 GLY 29 -14.994 7.860 -0.846 218 H ALA 30 HN ALA 30 -11.878 7.788 0.850 219 HA ALA 30 HA ALA 30 -12.686 5.297 2.168 220 HB1 ALA 30 HB1 ALA 30 -10.525 4.268 1.618 221 HB2 ALA 30 HB2 ALA 30 -10.112 5.672 0.634 222 HB3 ALA 30 HB3 ALA 30 -11.459 4.633 0.168 223 H GLU 31 HN GLU 31 -11.224 4.738 3.974 224 HA GLU 31 HA GLU 31 -10.136 7.177 5.199 225 HB2 GLU 31 HB2 GLU 31 -11.940 6.111 6.476 226 HB3 GLU 31 HB1 GLU 31 -11.034 4.604 6.508 227 HG2 GLU 31 HG2 GLU 31 -9.312 5.613 7.852 228 HG3 GLU 31 HG1 GLU 31 -10.095 7.187 7.730 229 H VAL 32 HN VAL 32 -8.034 7.260 5.815 230 HA VAL 32 HA VAL 32 -6.395 5.001 4.859 231 HB VAL 32 HB VAL 32 -5.591 7.903 4.953 232 HG11 VAL 32 HG11 VAL 32 -4.347 5.583 3.484 233 HG12 VAL 32 HG12 VAL 32 -3.758 6.246 5.007 234 HG13 VAL 32 HG13 VAL 32 -3.746 7.240 3.551 235 HG21 VAL 32 HG21 VAL 32 -7.460 7.593 3.406 236 HG22 VAL 32 HG22 VAL 32 -6.560 6.318 2.580 237 HG23 VAL 32 HG23 VAL 32 -5.964 7.980 2.555 238 H VAL 33 HN VAL 33 -4.860 4.160 6.158 239 HA VAL 33 HA VAL 33 -4.053 5.700 8.539 240 HB VAL 33 HB VAL 33 -3.526 2.775 8.137 241 HG11 VAL 33 HG11 VAL 33 -2.143 3.935 9.764 242 HG12 VAL 33 HG12 VAL 33 -3.218 2.789 10.562 243 HG13 VAL 33 HG13 VAL 33 -3.587 4.513 10.594 244 HG21 VAL 33 HG21 VAL 33 -5.888 3.979 9.569 245 HG22 VAL 33 HG22 VAL 33 -5.433 2.273 9.585 246 HG23 VAL 33 HG23 VAL 33 -5.941 3.037 8.077 247 H VAL 34 HN VAL 34 -2.009 6.473 8.503 248 HA VAL 34 HA VAL 34 -0.285 5.575 6.316 249 HB VAL 34 HB VAL 34 -0.034 7.983 8.124 250 HG11 VAL 34 HG11 VAL 34 1.665 7.081 5.805 251 HG12 VAL 34 HG12 VAL 34 2.162 7.229 7.490 252 HG13 VAL 34 HG13 VAL 34 1.761 8.673 6.559 253 HG21 VAL 34 HG21 VAL 34 -0.552 9.261 6.093 254 HG22 VAL 34 HG22 VAL 34 -1.867 8.170 6.531 255 HG23 VAL 34 HG23 VAL 34 -0.779 7.751 5.208 256 H ALA 35 HN ALA 35 1.289 4.191 6.686 257 HA ALA 35 HA ALA 35 2.599 4.224 9.319 258 HB1 ALA 35 HB1 ALA 35 2.169 1.695 7.736 259 HB2 ALA 35 HB2 ALA 35 1.078 2.230 9.017 260 HB3 ALA 35 HB3 ALA 35 2.764 1.863 9.393 261 H ALA 36 HN ALA 36 4.744 4.280 9.267 262 HA ALA 36 HA ALA 36 6.016 4.413 6.636 263 HB1 ALA 36 HB1 ALA 36 7.860 5.505 7.798 264 HB2 ALA 36 HB2 ALA 36 7.056 5.221 9.348 265 HB3 ALA 36 HB3 ALA 36 6.325 6.301 8.159 266 H THR 37 HN THR 37 5.739 2.340 9.342 267 HA THR 37 HA THR 37 8.036 0.789 8.358 268 HB THR 37 HB THR 37 8.512 0.019 10.617 269 HG1 THR 37 HG1 THR 37 7.334 1.382 12.318 270 HG21 THR 37 HG21 THR 37 9.614 2.071 9.848 271 HG22 THR 37 HG22 THR 37 9.347 2.088 11.589 272 HG23 THR 37 HG23 THR 37 8.297 3.025 10.527 273 H CYS 38 HN CYS 38 7.918 -1.523 8.873 274 HA CYS 38 HA CYS 38 5.411 -2.658 8.256 275 HB2 CYS 38 HB2 CYS 38 7.853 -3.966 9.475 276 HB3 CYS 38 HB1 CYS 38 6.495 -4.816 8.748 277 HG CYS 38 HG CYS 38 8.752 -2.814 7.128 278 H GLU 39 HN GLU 39 7.102 -2.022 11.258 279 HA GLU 39 HA GLU 39 5.475 -3.457 13.023 280 HB2 GLU 39 HB2 GLU 39 6.866 -0.840 13.552 281 HB3 GLU 39 HB1 GLU 39 6.366 -2.015 14.755 282 HG2 GLU 39 HG2 GLU 39 7.965 -3.611 13.924 283 HG3 GLU 39 HG1 GLU 39 8.410 -2.519 12.617 284 H GLN 40 HN GLN 40 5.275 -0.080 11.935 285 HA GLN 40 HA GLN 40 2.919 0.614 13.292 286 HB2 GLN 40 HB2 GLN 40 4.242 1.592 10.778 287 HB3 GLN 40 HB1 GLN 40 2.747 2.298 11.350 288 HG2 GLN 40 HG2 GLN 40 3.781 3.016 13.364 289 HG3 GLN 40 HG1 GLN 40 5.255 2.139 12.971 290 HE21 GLN 40 HE21 GLN 40 6.486 4.007 13.134 291 HE22 GLN 40 HE22 GLN 40 6.455 5.235 11.918 292 H ALA 41 HN ALA 41 3.461 -0.819 10.132 293 HA ALA 41 HA ALA 41 0.808 -0.767 9.221 294 HB1 ALA 41 HB1 ALA 41 2.842 -1.168 7.846 295 HB2 ALA 41 HB2 ALA 41 1.521 -2.299 7.546 296 HB3 ALA 41 HB3 ALA 41 2.905 -2.798 8.517 297 H LEU 42 HN LEU 42 2.660 -3.361 10.818 298 HA LEU 42 HA LEU 42 0.625 -5.270 10.827 299 HB2 LEU 42 HB2 LEU 42 2.871 -4.898 12.803 300 HB3 LEU 42 HB1 LEU 42 1.920 -6.352 12.604 301 HG LEU 42 HG LEU 42 3.788 -5.162 10.569 302 HD11 LEU 42 HD11 LEU 42 5.096 -7.197 10.940 303 HD12 LEU 42 HD12 LEU 42 3.965 -7.689 12.199 304 HD13 LEU 42 HD13 LEU 42 4.944 -6.237 12.411 305 HD21 LEU 42 HD21 LEU 42 2.056 -7.622 10.416 306 HD22 LEU 42 HD22 LEU 42 3.329 -7.206 9.269 307 HD23 LEU 42 HD23 LEU 42 1.918 -6.162 9.435 308 H LYS 43 HN LYS 43 1.344 -2.624 12.997 309 HA LYS 43 HA LYS 43 -0.413 -3.374 15.086 310 HB2 LYS 43 HB2 LYS 43 1.463 -1.663 15.185 311 HB3 LYS 43 HB1 LYS 43 0.406 -0.555 14.331 312 HG2 LYS 43 HG2 LYS 43 -0.323 -1.815 16.967 313 HG3 LYS 43 HG1 LYS 43 0.540 -0.284 16.836 314 HD2 LYS 43 HD2 LYS 43 -1.324 0.683 15.608 315 HD3 LYS 43 HD1 LYS 43 -2.178 -0.860 15.652 316 HE2 LYS 43 HE2 LYS 43 -1.439 0.852 18.024 317 HE3 LYS 43 HE1 LYS 43 -3.051 0.647 17.344 318 HZ1 LYS 43 HZ1 LYS 43 -1.408 -1.396 18.723 319 HZ2 LYS 43 HZ2 LYS 43 -2.817 -1.766 17.874 320 HZ3 LYS 43 HZ3 LYS 43 -2.891 -0.755 19.225 321 H SER 44 HN SER 44 -0.790 -1.080 12.384 322 HA SER 44 HA SER 44 -3.477 -0.455 12.987 323 HB2 SER 44 HB2 SER 44 -1.956 0.920 11.523 324 HB3 SER 44 HB1 SER 44 -2.180 -0.290 10.260 325 HG SER 44 HG SER 44 -4.072 1.463 11.395 326 H LEU 45 HN LEU 45 -1.975 -2.934 11.023 327 HA LEU 45 HA LEU 45 -4.234 -3.868 9.663 328 HB2 LEU 45 HB2 LEU 45 -1.774 -4.452 9.324 329 HB3 LEU 45 HB1 LEU 45 -1.970 -5.588 10.643 330 HG LEU 45 HG LEU 45 -3.782 -6.703 9.329 331 HD11 LEU 45 HD11 LEU 45 -3.880 -6.221 6.922 332 HD12 LEU 45 HD12 LEU 45 -2.799 -4.849 7.168 333 HD13 LEU 45 HD13 LEU 45 -4.400 -4.853 7.903 334 HD21 LEU 45 HD21 LEU 45 -2.252 -7.835 7.801 335 HD22 LEU 45 HD22 LEU 45 -1.511 -7.582 9.383 336 HD23 LEU 45 HD23 LEU 45 -1.071 -6.545 8.025 337 H ALA 46 HN ALA 46 -2.983 -4.557 12.884 338 HA ALA 46 HA ALA 46 -4.900 -6.669 13.346 339 HB1 ALA 46 HB1 ALA 46 -2.712 -6.810 14.373 340 HB2 ALA 46 HB2 ALA 46 -3.958 -6.706 15.618 341 HB3 ALA 46 HB3 ALA 46 -2.989 -5.289 15.221 342 H ASP 47 HN ASP 47 -4.496 -3.292 14.247 343 HA ASP 47 HA ASP 47 -6.648 -3.261 16.126 344 HB2 ASP 47 HB2 ASP 47 -4.754 -1.688 16.238 345 HB3 ASP 47 HB1 ASP 47 -5.271 -0.962 14.722 346 H ASN 48 HN ASN 48 -6.310 -2.456 12.729 347 HA ASN 48 HA ASN 48 -9.185 -1.795 12.637 348 HB2 ASN 48 HB2 ASN 48 -7.044 -0.908 10.701 349 HB3 ASN 48 HB1 ASN 48 -8.719 -0.411 10.696 350 HD21 ASN 48 HD21 ASN 48 -5.642 -0.022 12.128 351 HD22 ASN 48 HD22 ASN 48 -6.015 1.360 13.100 352 HA PRO 49 HA PRO 49 -9.445 -5.012 9.554 353 HB2 PRO 49 HB2 PRO 49 -11.852 -4.387 8.519 354 HB3 PRO 49 HB1 PRO 49 -11.659 -5.021 10.153 355 HG2 PRO 49 HG2 PRO 49 -12.432 -2.339 9.292 356 HG3 PRO 49 HG1 PRO 49 -12.570 -3.078 10.893 357 HD2 PRO 49 HD2 PRO 49 -10.532 -1.272 9.862 358 HD3 PRO 49 HD1 PRO 49 -10.809 -1.792 11.533 359 H ILE 50 HN ILE 50 -7.687 -4.180 8.256 360 HA ILE 50 HA ILE 50 -7.962 -2.150 6.334 361 HB ILE 50 HB ILE 50 -5.986 -4.419 6.539 362 HG12 ILE 50 HG12 ILE 50 -5.897 -2.858 8.396 363 HG13 ILE 50 HG11 ILE 50 -4.478 -2.661 7.378 364 HG21 ILE 50 HG21 ILE 50 -4.591 -3.204 4.987 365 HG22 ILE 50 HG22 ILE 50 -5.837 -1.972 4.804 366 HG23 ILE 50 HG23 ILE 50 -6.133 -3.616 4.238 367 HD11 ILE 50 HD11 ILE 50 -6.878 -0.864 7.565 368 HD12 ILE 50 HD12 ILE 50 -5.658 -0.726 6.298 369 HD13 ILE 50 HD13 ILE 50 -5.205 -0.493 7.988 370 H ASP 51 HN ASP 51 -8.988 -2.136 4.486 371 HA ASP 51 HA ASP 51 -9.939 -4.620 3.312 372 HB2 ASP 51 HB2 ASP 51 -10.487 -1.726 2.618 373 HB3 ASP 51 HB1 ASP 51 -11.176 -3.093 1.755 374 H VAL 52 HN VAL 52 -7.711 -2.003 2.673 375 HA VAL 52 HA VAL 52 -6.423 -3.552 0.602 376 HB VAL 52 HB VAL 52 -8.198 -2.367 -0.656 377 HG11 VAL 52 HG11 VAL 52 -6.854 0.096 0.425 378 HG12 VAL 52 HG12 VAL 52 -8.525 -0.414 0.675 379 HG13 VAL 52 HG13 VAL 52 -7.986 0.100 -0.923 380 HG21 VAL 52 HG21 VAL 52 -6.106 -2.883 -1.779 381 HG22 VAL 52 HG22 VAL 52 -5.416 -1.359 -1.219 382 HG23 VAL 52 HG23 VAL 52 -6.762 -1.350 -2.359 383 H ALA 53 HN ALA 53 -4.329 -2.683 0.050 384 HA ALA 53 HA ALA 53 -3.397 -0.529 1.803 385 HB1 ALA 53 HB1 ALA 53 -1.457 -1.805 2.478 386 HB2 ALA 53 HB2 ALA 53 -1.997 -3.181 1.515 387 HB3 ALA 53 HB3 ALA 53 -2.930 -2.668 2.922 388 H VAL 54 HN VAL 54 -1.294 0.307 1.210 389 HA VAL 54 HA VAL 54 -0.472 -0.226 -1.557 390 HB VAL 54 HB VAL 54 0.038 2.511 -1.002 391 HG11 VAL 54 HG11 VAL 54 -0.119 1.698 -3.206 392 HG12 VAL 54 HG12 VAL 54 -1.500 2.788 -2.978 393 HG13 VAL 54 HG13 VAL 54 -1.738 1.036 -2.919 394 HG21 VAL 54 HG21 VAL 54 -2.216 3.415 -0.774 395 HG22 VAL 54 HG22 VAL 54 -1.795 2.422 0.620 396 HG23 VAL 54 HG23 VAL 54 -2.867 1.784 -0.625 397 H LEU 55 HN LEU 55 1.571 -0.886 -1.460 398 HA LEU 55 HA LEU 55 3.125 -0.018 0.868 399 HB2 LEU 55 HB2 LEU 55 3.053 -2.598 -0.643 400 HB3 LEU 55 HB1 LEU 55 4.488 -2.154 0.258 401 HG LEU 55 HG LEU 55 3.181 -2.067 2.336 402 HD11 LEU 55 HD11 LEU 55 0.880 -2.882 2.383 403 HD12 LEU 55 HD12 LEU 55 0.868 -2.930 0.618 404 HD13 LEU 55 HD13 LEU 55 1.039 -1.388 1.460 405 HD21 LEU 55 HD21 LEU 55 2.992 -4.587 0.708 406 HD22 LEU 55 HD22 LEU 55 2.533 -4.507 2.413 407 HD23 LEU 55 HD23 LEU 55 4.193 -4.148 1.927 408 H ASP 56 HN ASP 56 4.109 1.741 0.151 409 HA ASP 56 HA ASP 56 5.564 1.857 -2.300 410 HB2 ASP 56 HB2 ASP 56 5.150 3.614 0.069 411 HB3 ASP 56 HB1 ASP 56 6.593 3.905 -0.888 412 H VAL 57 HN VAL 57 6.827 0.050 -2.259 413 HA VAL 57 HA VAL 57 8.110 -1.218 -0.263 414 HB VAL 57 HB VAL 57 9.177 -0.918 -3.069 415 HG11 VAL 57 HG11 VAL 57 10.834 -1.898 -1.597 416 HG12 VAL 57 HG12 VAL 57 10.190 -3.115 -2.698 417 HG13 VAL 57 HG13 VAL 57 9.655 -3.075 -1.018 418 HG21 VAL 57 HG21 VAL 57 7.201 -2.864 -1.893 419 HG22 VAL 57 HG22 VAL 57 7.909 -2.994 -3.501 420 HG23 VAL 57 HG23 VAL 57 6.877 -1.621 -3.103 421 H ASN 58 HN ASN 58 9.484 1.514 -2.060 422 HA ASN 58 HA ASN 58 12.036 1.251 -0.763 423 HB2 ASN 58 HB2 ASN 58 11.774 2.135 -3.088 424 HB3 ASN 58 HB1 ASN 58 10.994 3.559 -2.415 425 HD21 ASN 58 HD21 ASN 58 13.699 1.929 -0.903 426 HD22 ASN 58 HD22 ASN 58 14.835 3.201 -1.150 427 H LEU 59 HN LEU 59 11.026 1.296 1.418 428 HA LEU 59 HA LEU 59 10.175 3.844 2.455 429 HB2 LEU 59 HB2 LEU 59 11.097 1.384 3.953 430 HB3 LEU 59 HB1 LEU 59 10.245 2.751 4.640 431 HG LEU 59 HG LEU 59 9.116 0.814 2.618 432 HD11 LEU 59 HD11 LEU 59 7.718 0.033 4.430 433 HD12 LEU 59 HD12 LEU 59 8.466 1.182 5.539 434 HD13 LEU 59 HD13 LEU 59 9.419 -0.142 4.867 435 HD21 LEU 59 HD21 LEU 59 6.999 1.956 3.026 436 HD22 LEU 59 HD22 LEU 59 8.200 3.049 2.343 437 HD23 LEU 59 HD23 LEU 59 7.822 3.121 4.065 438 H GLY 60 HN GLY 60 13.107 2.169 1.944 439 HA2 GLY 60 HA2 GLY 60 14.722 4.432 2.282 440 HA3 GLY 60 HA1 GLY 60 14.840 3.440 3.734 441 HA PRO 61 HA PRO 61 17.956 1.969 0.483 442 HB2 PRO 61 HB2 PRO 61 19.519 1.796 2.984 443 HB3 PRO 61 HB1 PRO 61 20.017 2.359 1.390 444 HG2 PRO 61 HG2 PRO 61 19.566 4.087 3.372 445 HG3 PRO 61 HG1 PRO 61 19.106 4.464 1.703 446 HD2 PRO 61 HD2 PRO 61 17.393 3.639 4.000 447 HD3 PRO 61 HD1 PRO 61 17.044 4.766 2.676 448 H LYS 62 HN LYS 62 17.285 0.899 3.796 449 HA LYS 62 HA LYS 62 17.339 -1.878 2.814 450 HB2 LYS 62 HB2 LYS 62 17.941 -0.863 5.597 451 HB3 LYS 62 HB1 LYS 62 17.903 -2.555 5.121 452 HG2 LYS 62 HG2 LYS 62 19.758 -2.147 3.568 453 HG3 LYS 62 HG1 LYS 62 19.805 -0.461 4.085 454 HD2 LYS 62 HD2 LYS 62 20.312 -1.169 6.366 455 HD3 LYS 62 HD1 LYS 62 20.241 -2.859 5.865 456 HE2 LYS 62 HE2 LYS 62 22.174 -0.800 4.805 457 HE3 LYS 62 HE1 LYS 62 22.548 -2.010 6.032 458 HZ1 LYS 62 HZ1 LYS 62 23.302 -2.733 3.873 459 HZ2 LYS 62 HZ2 LYS 62 21.755 -2.557 3.222 460 HZ3 LYS 62 HZ3 LYS 62 22.045 -3.738 4.393 461 H SER 63 HN SER 63 15.548 0.586 4.433 462 HA SER 63 HA SER 63 13.603 -1.076 5.646 463 HB2 SER 63 HB2 SER 63 13.379 1.820 4.806 464 HB3 SER 63 HB1 SER 63 12.335 0.975 5.947 465 HG SER 63 HG SER 63 14.156 0.686 7.298 466 H HIS 64 HN HIS 64 11.954 -2.102 4.785 467 HA HIS 64 HA HIS 64 10.767 -1.193 2.288 468 HB2 HIS 64 HB2 HIS 64 10.914 -3.416 1.239 469 HB3 HIS 64 HB1 HIS 64 12.516 -2.757 1.542 470 HD1 HIS 64 HD1 HIS 64 10.099 -5.235 3.123 471 HD2 HIS 64 HD2 HIS 64 14.162 -4.463 2.855 472 HE1 HIS 64 HE1 HIS 64 11.219 -7.149 4.294 473 HE2 HIS 64 HE2 HIS 64 13.688 -6.738 3.984 474 H CYS 65 HN CYS 65 8.618 -1.819 2.051 475 HA CYS 65 HA CYS 65 7.250 -2.877 4.343 476 HB2 CYS 65 HB2 CYS 65 5.818 -2.919 1.808 477 HB3 CYS 65 HB1 CYS 65 5.417 -2.105 3.305 478 HG CYS 65 HG CYS 65 6.153 0.264 2.604 479 H GLY 66 HN GLY 66 8.230 -4.943 4.660 480 HA2 GLY 66 HA2 GLY 66 7.807 -6.878 2.467 481 HA3 GLY 66 HA1 GLY 66 9.060 -7.021 3.688 482 HA PRO 67 HA PRO 67 6.475 -9.400 6.437 483 HB2 PRO 67 HB2 PRO 67 6.447 -7.191 8.406 484 HB3 PRO 67 HB1 PRO 67 6.931 -8.871 8.605 485 HG2 PRO 67 HG2 PRO 67 8.719 -6.869 8.472 486 HG3 PRO 67 HG1 PRO 67 9.059 -8.500 7.872 487 HD2 PRO 67 HD2 PRO 67 8.510 -6.012 6.369 488 HD3 PRO 67 HD1 PRO 67 9.441 -7.445 5.902 489 H VAL 68 HN VAL 68 5.664 -6.112 5.696 490 HA VAL 68 HA VAL 68 2.957 -6.145 6.574 491 HB VAL 68 HB VAL 68 4.146 -4.480 4.349 492 HG11 VAL 68 HG11 VAL 68 2.356 -2.936 4.816 493 HG12 VAL 68 HG12 VAL 68 1.783 -3.948 6.141 494 HG13 VAL 68 HG13 VAL 68 1.683 -4.531 4.480 495 HG21 VAL 68 HG21 VAL 68 4.037 -3.923 7.309 496 HG22 VAL 68 HG22 VAL 68 4.509 -2.758 6.071 497 HG23 VAL 68 HG23 VAL 68 5.486 -4.200 6.343 498 H ALA 69 HN ALA 69 4.591 -6.801 3.521 499 HA ALA 69 HA ALA 69 2.305 -7.248 1.938 500 HB1 ALA 69 HB1 ALA 69 3.845 -8.408 0.421 501 HB2 ALA 69 HB2 ALA 69 5.086 -8.389 1.676 502 HB3 ALA 69 HB3 ALA 69 4.516 -6.873 0.976 503 H ASP 70 HN ASP 70 4.419 -9.434 3.758 504 HA ASP 70 HA ASP 70 3.007 -11.805 3.236 505 HB2 ASP 70 HB2 ASP 70 4.690 -11.006 5.625 506 HB3 ASP 70 HB1 ASP 70 4.043 -12.625 5.392 507 H ALA 71 HN ALA 71 2.714 -9.402 5.810 508 HA ALA 71 HA ALA 71 0.748 -10.589 7.377 509 HB1 ALA 71 HB1 ALA 71 0.271 -8.371 8.191 510 HB2 ALA 71 HB2 ALA 71 1.058 -7.653 6.783 511 HB3 ALA 71 HB3 ALA 71 2.012 -8.556 7.964 512 H LEU 72 HN LEU 72 0.387 -8.359 4.646 513 HA LEU 72 HA LEU 72 -2.423 -8.349 4.590 514 HB2 LEU 72 HB2 LEU 72 -0.382 -7.821 2.440 515 HB3 LEU 72 HB1 LEU 72 -2.096 -7.495 2.270 516 HG LEU 72 HG LEU 72 -0.306 -6.236 4.346 517 HD11 LEU 72 HD11 LEU 72 -0.575 -4.205 3.029 518 HD12 LEU 72 HD12 LEU 72 -1.401 -5.141 1.775 519 HD13 LEU 72 HD13 LEU 72 0.293 -5.476 2.161 520 HD21 LEU 72 HD21 LEU 72 -2.568 -6.382 5.129 521 HD22 LEU 72 HD22 LEU 72 -3.188 -5.799 3.587 522 HD23 LEU 72 HD23 LEU 72 -2.261 -4.717 4.630 523 H LYS 73 HN LYS 73 -0.010 -10.296 2.917 524 HA LYS 73 HA LYS 73 -1.740 -11.853 1.371 525 HB2 LYS 73 HB2 LYS 73 1.027 -12.089 2.356 526 HB3 LYS 73 HB1 LYS 73 0.257 -13.564 1.788 527 HG2 LYS 73 HG2 LYS 73 -0.414 -12.012 -0.235 528 HG3 LYS 73 HG1 LYS 73 1.008 -11.114 0.299 529 HD2 LYS 73 HD2 LYS 73 2.429 -12.925 -0.060 530 HD3 LYS 73 HD1 LYS 73 1.081 -14.067 -0.080 531 HE2 LYS 73 HE2 LYS 73 1.596 -11.964 -2.173 532 HE3 LYS 73 HE1 LYS 73 2.036 -13.664 -2.323 533 HZ1 LYS 73 HZ1 LYS 73 -0.720 -12.610 -1.995 534 HZ2 LYS 73 HZ2 LYS 73 -0.307 -14.244 -2.129 535 HZ3 LYS 73 HZ3 LYS 73 -0.053 -13.198 -3.429 536 H GLN 74 HN GLN 74 -0.760 -12.145 4.732 537 HA GLN 74 HA GLN 74 -1.792 -14.735 5.188 538 HB2 GLN 74 HB2 GLN 74 -1.375 -12.424 7.091 539 HB3 GLN 74 HB1 GLN 74 -1.792 -14.055 7.597 540 HG2 GLN 74 HG2 GLN 74 0.696 -13.279 6.093 541 HG3 GLN 74 HG1 GLN 74 0.596 -13.580 7.825 542 HE21 GLN 74 HE21 GLN 74 0.300 -15.674 8.560 543 HE22 GLN 74 HE22 GLN 74 0.580 -17.054 7.557 544 H ARG 75 HN ARG 75 -3.258 -11.540 5.269 545 HA ARG 75 HA ARG 75 -5.800 -12.704 6.133 546 HB2 ARG 75 HB2 ARG 75 -4.978 -9.818 5.814 547 HB3 ARG 75 HB1 ARG 75 -6.522 -10.376 6.440 548 HG2 ARG 75 HG2 ARG 75 -5.285 -11.513 8.275 549 HG3 ARG 75 HG1 ARG 75 -3.812 -10.747 7.685 550 HD2 ARG 75 HD2 ARG 75 -4.713 -8.561 8.090 551 HD3 ARG 75 HD1 ARG 75 -6.290 -9.239 8.496 552 HE ARG 75 HE ARG 75 -4.031 -10.063 10.142 553 HH11 ARG 75 HH11 ARG 75 -6.818 -7.992 9.758 554 HH12 ARG 75 HH12 ARG 75 -6.986 -7.682 11.454 555 HH21 ARG 75 HH21 ARG 75 -4.249 -9.668 12.389 556 HH22 ARG 75 HH22 ARG 75 -5.540 -8.658 12.958 557 H ALA 76 HN ALA 76 -4.321 -12.475 3.339 558 HA ALA 76 HA ALA 76 -4.895 -12.381 1.150 559 HB1 ALA 76 HB1 ALA 76 -7.151 -13.081 0.548 560 HB2 ALA 76 HB2 ALA 76 -7.678 -12.839 2.213 561 HB3 ALA 76 HB3 ALA 76 -6.495 -14.090 1.836 562 H ILE 77 HN ILE 77 -4.705 -9.879 2.508 563 HA ILE 77 HA ILE 77 -6.852 -8.234 1.444 564 HB ILE 77 HB ILE 77 -4.350 -7.497 2.976 565 HG12 ILE 77 HG12 ILE 77 -7.204 -7.502 3.953 566 HG13 ILE 77 HG11 ILE 77 -6.141 -8.894 4.132 567 HG21 ILE 77 HG21 ILE 77 -5.077 -5.636 1.618 568 HG22 ILE 77 HG22 ILE 77 -5.470 -5.317 3.308 569 HG23 ILE 77 HG23 ILE 77 -6.735 -5.829 2.186 570 HD11 ILE 77 HD11 ILE 77 -4.612 -7.580 5.465 571 HD12 ILE 77 HD12 ILE 77 -6.235 -7.539 6.153 572 HD13 ILE 77 HD13 ILE 77 -5.624 -6.151 5.252 573 HA PRO 78 HA PRO 78 -4.526 -7.421 -2.255 574 HB2 PRO 78 HB2 PRO 78 -6.167 -5.518 -3.264 575 HB3 PRO 78 HB1 PRO 78 -6.478 -7.249 -3.375 576 HG2 PRO 78 HG2 PRO 78 -7.719 -5.214 -1.658 577 HG3 PRO 78 HG1 PRO 78 -8.376 -6.748 -2.236 578 HD2 PRO 78 HD2 PRO 78 -7.375 -6.199 0.327 579 HD3 PRO 78 HD1 PRO 78 -7.762 -7.795 -0.331 580 H PHE 79 HN PHE 79 -3.017 -6.031 -2.877 581 HA PHE 79 HA PHE 79 -2.963 -3.300 -1.980 582 HB2 PHE 79 HB2 PHE 79 -0.789 -3.478 -0.827 583 HB3 PHE 79 HB1 PHE 79 -2.090 -4.295 0.010 584 HD1 PHE 79 HD2 PHE 79 -2.253 -6.825 -0.231 585 HD2 PHE 79 HD1 PHE 79 1.164 -4.569 -1.355 586 HE1 PHE 79 HE2 PHE 79 -0.881 -8.871 -0.131 587 HE2 PHE 79 HE1 PHE 79 2.545 -6.596 -1.249 588 HZ PHE 79 HZ PHE 79 1.528 -8.753 -0.641 589 H ILE 80 HN ILE 80 -1.202 -2.123 -2.858 590 HA ILE 80 HA ILE 80 -0.054 -3.406 -5.257 591 HB ILE 80 HB ILE 80 -0.912 -0.521 -4.968 592 HG12 ILE 80 HG12 ILE 80 -2.100 -2.827 -6.512 593 HG13 ILE 80 HG11 ILE 80 -2.844 -1.940 -5.189 594 HG21 ILE 80 HG21 ILE 80 0.253 -1.974 -7.339 595 HG22 ILE 80 HG22 ILE 80 1.038 -0.706 -6.396 596 HG23 ILE 80 HG23 ILE 80 -0.390 -0.330 -7.364 597 HD11 ILE 80 HD11 ILE 80 -2.933 0.059 -6.580 598 HD12 ILE 80 HD12 ILE 80 -3.794 -1.294 -7.315 599 HD13 ILE 80 HD13 ILE 80 -2.196 -0.838 -7.908 600 H LEU 81 HN LEU 81 2.101 -3.094 -5.612 601 HA LEU 81 HA LEU 81 3.594 -1.793 -3.473 602 HB2 LEU 81 HB2 LEU 81 4.621 -3.286 -5.892 603 HB3 LEU 81 HB1 LEU 81 5.596 -2.708 -4.559 604 HG LEU 81 HG LEU 81 5.412 -4.948 -4.078 605 HD11 LEU 81 HD11 LEU 81 3.053 -3.704 -2.677 606 HD12 LEU 81 HD12 LEU 81 4.731 -3.691 -2.132 607 HD13 LEU 81 HD13 LEU 81 3.840 -5.213 -2.207 608 HD21 LEU 81 HD21 LEU 81 3.511 -6.339 -4.454 609 HD22 LEU 81 HD22 LEU 81 3.809 -5.405 -5.921 610 HD23 LEU 81 HD23 LEU 81 2.499 -4.947 -4.834 611 H HIS 82 HN HIS 82 3.753 0.330 -3.669 612 HA HIS 82 HA HIS 82 4.067 1.455 -6.357 613 HB2 HIS 82 HB2 HIS 82 2.211 2.378 -5.126 614 HB3 HIS 82 HB1 HIS 82 3.225 2.718 -3.733 615 HD1 HIS 82 HD1 HIS 82 2.937 5.224 -3.682 616 HD2 HIS 82 HD2 HIS 82 4.208 3.809 -7.376 617 HE1 HIS 82 HE1 HIS 82 3.373 7.267 -5.104 618 HE2 HIS 82 HE2 HIS 82 4.413 6.379 -7.194 619 H THR 83 HN THR 83 6.163 1.518 -6.912 620 HA THR 83 HA THR 83 8.056 2.997 -5.328 621 HB THR 83 HB THR 83 8.089 0.896 -4.054 622 HG1 THR 83 HG1 THR 83 10.437 0.304 -5.073 623 HG21 THR 83 HG21 THR 83 8.768 -0.436 -6.675 624 HG22 THR 83 HG22 THR 83 7.244 -0.591 -5.801 625 HG23 THR 83 HG23 THR 83 8.734 -1.217 -5.093 626 H GLY 84 HN GLY 84 9.945 3.447 -6.487 627 HA2 GLY 84 HA2 GLY 84 9.915 2.631 -9.313 628 HA3 GLY 84 HA1 GLY 84 10.796 4.004 -8.649 629 H ASP 85 HN ASP 85 11.393 2.017 -6.363 630 HA ASP 85 HA ASP 85 13.845 0.952 -7.536 631 HB2 ASP 85 HB2 ASP 85 13.867 2.286 -5.399 632 HB3 ASP 85 HB1 ASP 85 12.963 0.983 -4.639 633 H LEU 86 HN LEU 86 13.551 -0.988 -8.467 634 HA LEU 86 HA LEU 86 11.620 -2.832 -7.226 635 HB2 LEU 86 HB2 LEU 86 12.298 -2.457 -10.137 636 HB3 LEU 86 HB1 LEU 86 11.277 -3.741 -9.520 637 HG LEU 86 HG LEU 86 10.661 -0.800 -9.223 638 HD11 LEU 86 HD11 LEU 86 10.615 -1.446 -11.568 639 HD12 LEU 86 HD12 LEU 86 8.981 -1.174 -10.962 640 HD13 LEU 86 HD13 LEU 86 9.579 -2.819 -11.182 641 HD21 LEU 86 HD21 LEU 86 8.435 -1.603 -8.613 642 HD22 LEU 86 HD22 LEU 86 9.664 -2.205 -7.501 643 HD23 LEU 86 HD23 LEU 86 9.000 -3.269 -8.741 644 H ASP 87 HN ASP 87 14.376 -2.966 -9.510 645 HA ASP 87 HA ASP 87 14.873 -5.703 -9.131 646 HB2 ASP 87 HB2 ASP 87 15.735 -4.430 -11.055 647 HB3 ASP 87 HB1 ASP 87 16.825 -3.553 -9.984 648 H ARG 88 HN ARG 88 15.905 -2.907 -7.362 649 HA ARG 88 HA ARG 88 18.000 -4.077 -5.857 650 HB2 ARG 88 HB2 ARG 88 17.653 -1.665 -6.162 651 HB3 ARG 88 HB1 ARG 88 16.206 -1.761 -5.173 652 HG2 ARG 88 HG2 ARG 88 17.440 -2.192 -3.221 653 HG3 ARG 88 HG1 ARG 88 18.906 -2.565 -4.139 654 HD2 ARG 88 HD2 ARG 88 19.080 -0.304 -4.879 655 HD3 ARG 88 HD1 ARG 88 17.545 0.111 -4.127 656 HE ARG 88 HE ARG 88 19.484 -0.881 -2.252 657 HH11 ARG 88 HH11 ARG 88 18.352 1.948 -3.971 658 HH12 ARG 88 HH12 ARG 88 19.010 3.071 -2.827 659 HH21 ARG 88 HH21 ARG 88 20.371 0.610 -0.738 660 HH22 ARG 88 HH22 ARG 88 20.157 2.314 -0.996 661 H HIS 89 HN HIS 89 14.593 -4.360 -5.709 662 HA HIS 89 HA HIS 89 14.808 -5.857 -3.187 663 HB2 HIS 89 HB2 HIS 89 12.721 -3.823 -3.955 664 HB3 HIS 89 HB1 HIS 89 12.399 -5.063 -2.752 665 HD1 HIS 89 HD1 HIS 89 14.360 -5.049 -0.739 666 HD2 HIS 89 HD2 HIS 89 13.692 -1.557 -2.887 667 HE1 HIS 89 HE1 HIS 89 15.303 -3.199 0.675 668 HE2 HIS 89 HE2 HIS 89 15.101 -1.137 -0.759 669 H GLY 90 HN GLY 90 14.946 -6.807 -5.873 670 HA2 GLY 90 HA2 GLY 90 12.488 -7.599 -6.954 671 HA3 GLY 90 HA1 GLY 90 14.032 -8.351 -7.295 672 H GLU 91 HN GLU 91 14.640 -9.300 -4.713 673 HA GLU 91 HA GLU 91 13.305 -11.761 -4.734 674 HB2 GLU 91 HB2 GLU 91 14.914 -10.442 -2.549 675 HB3 GLU 91 HB1 GLU 91 14.378 -12.115 -2.503 676 HG2 GLU 91 HG2 GLU 91 15.661 -12.586 -4.524 677 HG3 GLU 91 HG1 GLU 91 16.194 -10.908 -4.576 678 H LEU 92 HN LEU 92 12.748 -8.850 -2.845 679 HA LEU 92 HA LEU 92 10.764 -9.861 -1.119 680 HB2 LEU 92 HB2 LEU 92 11.961 -7.669 -0.901 681 HB3 LEU 92 HB1 LEU 92 10.987 -7.063 -2.223 682 HG LEU 92 HG LEU 92 8.954 -7.581 -0.804 683 HD11 LEU 92 HD11 LEU 92 11.041 -7.765 1.364 684 HD12 LEU 92 HD12 LEU 92 10.098 -9.121 0.737 685 HD13 LEU 92 HD13 LEU 92 9.292 -7.801 1.581 686 HD21 LEU 92 HD21 LEU 92 10.931 -5.539 0.203 687 HD22 LEU 92 HD22 LEU 92 9.193 -5.532 0.507 688 HD23 LEU 92 HD23 LEU 92 9.803 -5.320 -1.135 689 H LEU 93 HN LEU 93 10.577 -8.184 -4.219 690 HA LEU 93 HA LEU 93 7.788 -8.090 -4.459 691 HB2 LEU 93 HB2 LEU 93 9.892 -8.188 -6.625 692 HB3 LEU 93 HB1 LEU 93 8.243 -7.628 -6.820 693 HG LEU 93 HG LEU 93 10.167 -6.321 -4.911 694 HD11 LEU 93 HD11 LEU 93 11.112 -6.232 -7.161 695 HD12 LEU 93 HD12 LEU 93 10.573 -4.644 -6.615 696 HD13 LEU 93 HD13 LEU 93 9.599 -5.558 -7.770 697 HD21 LEU 93 HD21 LEU 93 7.598 -5.400 -6.196 698 HD22 LEU 93 HD22 LEU 93 8.618 -4.433 -5.132 699 HD23 LEU 93 HD23 LEU 93 7.811 -5.872 -4.510 700 H ARG 94 HN ARG 94 10.116 -10.594 -5.249 701 HA ARG 94 HA ARG 94 8.453 -12.212 -6.843 702 HB2 ARG 94 HB2 ARG 94 10.767 -12.982 -5.059 703 HB3 ARG 94 HB1 ARG 94 10.013 -14.054 -6.231 704 HG2 ARG 94 HG2 ARG 94 10.690 -12.621 -8.045 705 HG3 ARG 94 HG1 ARG 94 11.339 -11.438 -6.909 706 HD2 ARG 94 HD2 ARG 94 12.906 -13.217 -6.096 707 HD3 ARG 94 HD1 ARG 94 12.345 -14.230 -7.424 708 HE ARG 94 HE ARG 94 13.085 -11.953 -8.673 709 HH11 ARG 94 HH11 ARG 94 14.718 -14.076 -6.416 710 HH12 ARG 94 HH12 ARG 94 16.304 -13.686 -7.005 711 HH21 ARG 94 HH21 ARG 94 15.157 -11.446 -9.450 712 HH22 ARG 94 HH22 ARG 94 16.553 -12.210 -8.753 713 H LYS 95 HN LYS 95 8.922 -12.044 -3.348 714 HA LYS 95 HA LYS 95 7.262 -14.238 -2.676 715 HB2 LYS 95 HB2 LYS 95 8.051 -11.757 -1.155 716 HB3 LYS 95 HB1 LYS 95 7.016 -12.996 -0.468 717 HG2 LYS 95 HG2 LYS 95 8.797 -14.633 -0.685 718 HG3 LYS 95 HG1 LYS 95 9.835 -13.416 -1.431 719 HD2 LYS 95 HD2 LYS 95 10.292 -13.763 0.989 720 HD3 LYS 95 HD1 LYS 95 9.846 -12.104 0.587 721 HE2 LYS 95 HE2 LYS 95 7.523 -12.607 1.297 722 HE3 LYS 95 HE1 LYS 95 8.052 -14.214 1.788 723 HZ1 LYS 95 HZ1 LYS 95 9.366 -13.319 3.489 724 HZ2 LYS 95 HZ2 LYS 95 7.907 -12.459 3.575 725 HZ3 LYS 95 HZ3 LYS 95 9.272 -11.750 2.870 726 H ILE 96 HN ILE 96 6.705 -10.800 -2.988 727 HA ILE 96 HA ILE 96 4.044 -10.787 -2.085 728 HB ILE 96 HB ILE 96 5.371 -8.775 -3.904 729 HG12 ILE 96 HG12 ILE 96 5.360 -8.863 -0.877 730 HG13 ILE 96 HG11 ILE 96 6.741 -9.285 -1.881 731 HG21 ILE 96 HG21 ILE 96 3.831 -7.213 -2.749 732 HG22 ILE 96 HG22 ILE 96 3.087 -8.597 -1.956 733 HG23 ILE 96 HG23 ILE 96 3.006 -8.438 -3.710 734 HD11 ILE 96 HD11 ILE 96 6.950 -7.049 -2.658 735 HD12 ILE 96 HD12 ILE 96 6.807 -6.996 -0.901 736 HD13 ILE 96 HD13 ILE 96 5.422 -6.586 -1.913 737 H ASP 97 HN ASP 97 5.378 -10.464 -5.377 738 HA ASP 97 HA ASP 97 4.414 -10.617 -7.429 739 HB2 ASP 97 HB2 ASP 97 4.707 -12.992 -6.850 740 HB3 ASP 97 HB1 ASP 97 3.098 -13.016 -6.139 741 H ALA 98 HN ALA 98 3.262 -8.626 -6.488 742 HA ALA 98 HA ALA 98 0.385 -8.952 -6.985 743 HB1 ALA 98 HB1 ALA 98 -0.116 -7.354 -5.213 744 HB2 ALA 98 HB2 ALA 98 1.598 -7.207 -4.835 745 HB3 ALA 98 HB3 ALA 98 0.762 -8.734 -4.555 746 HA PRO 99 HA PRO 99 0.575 -5.486 -9.760 747 HB2 PRO 99 HB2 PRO 99 -1.079 -3.885 -7.881 748 HB3 PRO 99 HB1 PRO 99 -1.299 -4.162 -9.604 749 HG2 PRO 99 HG2 PRO 99 -2.812 -5.433 -7.837 750 HG3 PRO 99 HG1 PRO 99 -2.206 -6.263 -9.278 751 HD2 PRO 99 HD2 PRO 99 -1.289 -6.469 -6.454 752 HD3 PRO 99 HD1 PRO 99 -1.378 -7.725 -7.704 753 H VAL 100 HN VAL 100 1.997 -3.951 -10.114 754 HA VAL 100 HA VAL 100 3.183 -2.527 -7.830 755 HB VAL 100 HB VAL 100 4.628 -3.460 -10.322 756 HG11 VAL 100 HG11 VAL 100 5.683 -2.169 -7.811 757 HG12 VAL 100 HG12 VAL 100 5.558 -1.410 -9.397 758 HG13 VAL 100 HG13 VAL 100 6.659 -2.766 -9.153 759 HG21 VAL 100 HG21 VAL 100 5.763 -5.069 -8.898 760 HG22 VAL 100 HG22 VAL 100 4.018 -5.337 -8.870 761 HG23 VAL 100 HG23 VAL 100 4.809 -4.537 -7.513 762 H MET 101 HN MET 101 3.349 -0.361 -8.037 763 HA MET 101 HA MET 101 2.937 0.794 -10.717 764 HB2 MET 101 HB2 MET 101 2.098 1.911 -8.036 765 HB3 MET 101 HB1 MET 101 2.091 2.846 -9.525 766 HG2 MET 101 HG2 MET 101 0.523 1.229 -10.500 767 HG3 MET 101 HG1 MET 101 0.486 0.363 -8.971 768 HE1 MET 101 HE1 MET 101 0.304 4.225 -10.027 769 HE2 MET 101 HE2 MET 101 -1.447 4.433 -9.906 770 HE3 MET 101 HE3 MET 101 -0.769 3.297 -11.074 771 H ALA 102 HN ALA 102 4.848 1.325 -11.442 772 HA ALA 102 HA ALA 102 7.097 1.814 -9.788 773 HB1 ALA 102 HB1 ALA 102 7.287 0.826 -12.020 774 HB2 ALA 102 HB2 ALA 102 8.272 2.281 -11.872 775 HB3 ALA 102 HB3 ALA 102 6.736 2.341 -12.736 776 H LYS 103 HN LYS 103 8.302 3.741 -9.581 777 HA LYS 103 HA LYS 103 6.660 6.144 -9.603 778 HB2 LYS 103 HB2 LYS 103 9.373 5.537 -8.428 779 HB3 LYS 103 HB1 LYS 103 8.683 7.150 -8.440 780 HG2 LYS 103 HG2 LYS 103 6.734 6.227 -7.162 781 HG3 LYS 103 HG1 LYS 103 7.642 4.722 -7.004 782 HD2 LYS 103 HD2 LYS 103 9.378 5.803 -5.788 783 HD3 LYS 103 HD1 LYS 103 8.725 7.398 -6.150 784 HE2 LYS 103 HE2 LYS 103 8.169 6.900 -3.904 785 HE3 LYS 103 HE1 LYS 103 6.686 6.762 -4.838 786 HZ1 LYS 103 HZ1 LYS 103 6.767 4.960 -3.346 787 HZ2 LYS 103 HZ2 LYS 103 8.371 4.590 -3.746 788 HZ3 LYS 103 HZ3 LYS 103 7.137 4.317 -4.868 789 HA PRO 104 HA PRO 104 7.076 8.353 -9.499 790 HB2 PRO 104 HB2 PRO 104 6.221 10.083 -11.665 791 HB3 PRO 104 HB1 PRO 104 7.213 10.478 -10.260 792 HG2 PRO 104 HG2 PRO 104 8.192 10.432 -12.794 793 HG3 PRO 104 HG1 PRO 104 9.178 10.059 -11.368 794 HD2 PRO 104 HD2 PRO 104 7.860 8.183 -13.301 795 HD3 PRO 104 HD1 PRO 104 9.490 8.112 -12.598 796 H ALA 105 HN ALA 105 4.922 8.405 -9.020 797 HA ALA 105 HA ALA 105 2.972 7.595 -11.050 798 HB1 ALA 105 HB1 ALA 105 3.121 6.309 -8.313 799 HB2 ALA 105 HB2 ALA 105 3.673 5.543 -9.814 800 HB3 ALA 105 HB3 ALA 105 1.965 5.938 -9.605 801 H ASP 106 HN ASP 106 1.067 8.666 -10.835 802 HA ASP 106 HA ASP 106 0.911 10.752 -8.855 803 HB2 ASP 106 HB2 ASP 106 0.008 10.975 -11.206 804 HB3 ASP 106 HB1 ASP 106 -1.270 9.851 -10.752 805 H THR 107 HN THR 107 -0.241 10.769 -7.033 806 HA THR 107 HA THR 107 -0.741 8.249 -5.867 807 HB THR 107 HB THR 107 -1.540 9.645 -3.912 808 HG1 THR 107 HG1 THR 107 -2.002 11.663 -4.387 809 HG21 THR 107 HG21 THR 107 1.156 10.312 -5.105 810 HG22 THR 107 HG22 THR 107 0.780 8.847 -4.194 811 HG23 THR 107 HG23 THR 107 0.718 10.418 -3.399 812 H SER 108 HN SER 108 -2.792 10.476 -7.561 813 HA SER 108 HA SER 108 -5.243 9.448 -6.460 814 HB2 SER 108 HB2 SER 108 -6.342 10.696 -8.279 815 HB3 SER 108 HB1 SER 108 -5.168 11.702 -7.433 816 HG SER 108 HG SER 108 -3.720 11.394 -9.130 817 H ASP 109 HN ASP 109 -3.110 8.664 -9.097 818 HA ASP 109 HA ASP 109 -4.835 6.729 -10.321 819 HB2 ASP 109 HB2 ASP 109 -1.891 7.336 -10.525 820 HB3 ASP 109 HB1 ASP 109 -2.577 5.909 -11.292 821 H VAL 110 HN VAL 110 -2.133 6.628 -8.054 822 HA VAL 110 HA VAL 110 -2.023 3.863 -7.683 823 HB VAL 110 HB VAL 110 -1.482 5.925 -5.543 824 HG11 VAL 110 HG11 VAL 110 0.054 4.277 -4.657 825 HG12 VAL 110 HG12 VAL 110 -0.312 3.183 -5.991 826 HG13 VAL 110 HG13 VAL 110 -1.559 3.575 -4.807 827 HG21 VAL 110 HG21 VAL 110 -0.293 6.537 -7.580 828 HG22 VAL 110 HG22 VAL 110 0.363 4.903 -7.701 829 HG23 VAL 110 HG23 VAL 110 0.831 5.945 -6.357 830 H ALA 111 HN ALA 111 -3.898 6.345 -5.995 831 HA ALA 111 HA ALA 111 -5.098 4.741 -4.053 832 HB1 ALA 111 HB1 ALA 111 -6.781 6.499 -3.869 833 HB2 ALA 111 HB2 ALA 111 -6.231 7.193 -5.393 834 HB3 ALA 111 HB3 ALA 111 -5.159 7.182 -3.993 835 H LYS 112 HN LYS 112 -6.345 5.703 -7.243 836 HA LYS 112 HA LYS 112 -8.759 4.284 -7.007 837 HB2 LYS 112 HB2 LYS 112 -7.260 5.255 -9.439 838 HB3 LYS 112 HB1 LYS 112 -8.854 4.509 -9.520 839 HG2 LYS 112 HG2 LYS 112 -9.597 6.314 -7.879 840 HG3 LYS 112 HG1 LYS 112 -8.072 7.117 -8.258 841 HD2 LYS 112 HD2 LYS 112 -10.179 6.336 -10.271 842 HD3 LYS 112 HD1 LYS 112 -9.953 7.955 -9.615 843 HE2 LYS 112 HE2 LYS 112 -7.892 6.412 -11.181 844 HE3 LYS 112 HE1 LYS 112 -8.937 7.666 -11.844 845 HZ1 LYS 112 HZ1 LYS 112 -6.933 8.046 -9.685 846 HZ2 LYS 112 HZ2 LYS 112 -7.938 9.249 -10.319 847 HZ3 LYS 112 HZ3 LYS 112 -6.760 8.533 -11.298 848 H ARG 113 HN ARG 113 -5.680 3.404 -8.565 849 HA ARG 113 HA ARG 113 -6.456 0.945 -9.611 850 HB2 ARG 113 HB2 ARG 113 -3.797 1.911 -8.609 851 HB3 ARG 113 HB1 ARG 113 -4.008 0.334 -9.355 852 HG2 ARG 113 HG2 ARG 113 -4.566 3.001 -10.631 853 HG3 ARG 113 HG1 ARG 113 -3.209 1.934 -10.965 854 HD2 ARG 113 HD2 ARG 113 -4.844 0.190 -11.681 855 HD3 ARG 113 HD1 ARG 113 -6.116 1.401 -11.517 856 HE ARG 113 HE ARG 113 -3.855 1.995 -13.273 857 HH11 ARG 113 HH11 ARG 113 -7.228 1.124 -12.927 858 HH12 ARG 113 HH12 ARG 113 -7.641 1.569 -14.551 859 HH21 ARG 113 HH21 ARG 113 -4.391 2.556 -15.423 860 HH22 ARG 113 HH22 ARG 113 -6.026 2.372 -15.971 861 H ALA 114 HN ALA 114 -5.371 1.777 -6.366 862 HA ALA 114 HA ALA 114 -5.214 -0.899 -5.411 863 HB1 ALA 114 HB1 ALA 114 -5.521 1.703 -3.916 864 HB2 ALA 114 HB2 ALA 114 -4.006 0.884 -4.295 865 HB3 ALA 114 HB3 ALA 114 -5.154 0.148 -3.172 866 H LEU 115 HN LEU 115 -7.681 1.650 -5.104 867 HA LEU 115 HA LEU 115 -9.473 0.135 -3.559 868 HB2 LEU 115 HB2 LEU 115 -9.903 2.527 -5.319 869 HB3 LEU 115 HB1 LEU 115 -11.142 1.850 -4.278 870 HG LEU 115 HG LEU 115 -8.505 3.010 -3.375 871 HD11 LEU 115 HD11 LEU 115 -11.333 3.978 -3.061 872 HD12 LEU 115 HD12 LEU 115 -10.076 4.707 -4.066 873 HD13 LEU 115 HD13 LEU 115 -9.911 4.702 -2.308 874 HD21 LEU 115 HD21 LEU 115 -9.387 2.683 -1.106 875 HD22 LEU 115 HD22 LEU 115 -9.144 1.159 -1.954 876 HD23 LEU 115 HD23 LEU 115 -10.768 1.818 -1.781 877 H GLU 116 HN GLU 116 -8.916 0.232 -6.991 878 HA GLU 116 HA GLU 116 -11.288 -0.925 -7.907 879 HB2 GLU 116 HB2 GLU 116 -8.462 -1.247 -8.919 880 HB3 GLU 116 HB1 GLU 116 -9.879 -1.838 -9.775 881 HG2 GLU 116 HG2 GLU 116 -9.273 1.032 -9.105 882 HG3 GLU 116 HG1 GLU 116 -9.125 0.273 -10.688 883 H MET 117 HN MET 117 -8.562 -2.346 -6.240 884 HA MET 117 HA MET 117 -9.403 -5.051 -6.825 885 HB2 MET 117 HB2 MET 117 -7.226 -4.036 -4.994 886 HB3 MET 117 HB1 MET 117 -7.496 -5.722 -5.417 887 HG2 MET 117 HG2 MET 117 -7.179 -5.018 -7.824 888 HG3 MET 117 HG1 MET 117 -6.598 -3.484 -7.196 889 HE1 MET 117 HE1 MET 117 -3.405 -4.534 -5.213 890 HE2 MET 117 HE2 MET 117 -5.008 -4.603 -4.484 891 HE3 MET 117 HE3 MET 117 -4.581 -3.261 -5.549 892 H CYS 118 HN CYS 118 -9.911 -2.700 -4.359 893 HA CYS 118 HA CYS 118 -11.962 -4.154 -3.121 894 HB2 CYS 118 HB2 CYS 118 -10.054 -5.473 -2.215 895 HB3 CYS 118 HB1 CYS 118 -9.430 -4.006 -1.472 896 HG CYS 118 HG CYS 118 -10.490 -4.956 0.711 897 H GLY 119 HN GLY 119 -13.093 -2.302 -3.203 898 HA2 GLY 119 HA2 GLY 119 -12.881 -0.479 -1.078 899 HA3 GLY 119 HA1 GLY 119 -12.196 0.260 -2.521 900 H GLY 120 HN GLY 120 -15.080 -1.400 -1.327 901 HA2 GLY 120 HA2 GLY 120 -17.314 -0.790 -1.739 902 HA3 GLY 120 HA1 GLY 120 -16.754 0.329 -2.980 903 H ASP 121 HN ASP 121 -15.241 -1.146 -4.570 904 HA ASP 121 HA ASP 121 -15.055 -2.762 -6.137 905 HB2 ASP 121 HB2 ASP 121 -16.987 -4.282 -4.382 906 HB3 ASP 121 HB1 ASP 121 -16.140 -4.962 -5.766 907 H LYS 122 HN LYS 122 -16.616 -4.298 -7.530 908 HA LYS 122 HA LYS 122 -18.864 -2.600 -8.387 909 HB2 LYS 122 HB2 LYS 122 -17.045 -4.243 -10.150 910 HB3 LYS 122 HB1 LYS 122 -18.360 -3.204 -10.684 911 HG2 LYS 122 HG2 LYS 122 -17.180 -1.253 -9.828 912 HG3 LYS 122 HG1 LYS 122 -15.864 -2.291 -9.275 913 HD2 LYS 122 HD2 LYS 122 -15.611 -3.047 -11.654 914 HD3 LYS 122 HD1 LYS 122 -16.745 -1.771 -12.099 915 HE2 LYS 122 HE2 LYS 122 -14.426 -1.044 -12.386 916 HE3 LYS 122 HE1 LYS 122 -15.254 -0.096 -11.150 917 HZ1 LYS 122 HZ1 LYS 122 -12.972 -0.800 -10.538 918 HZ2 LYS 122 HZ2 LYS 122 -13.498 -2.412 -10.552 919 HZ3 LYS 122 HZ3 LYS 122 -14.157 -1.320 -9.444 920 H GLU 123 HN GLU 123 -19.506 -4.358 -6.592 921 HA GLU 123 HA GLU 123 -19.998 -7.004 -7.595 922 HB2 GLU 123 HB2 GLU 123 -19.562 -6.259 -5.159 923 HB3 GLU 123 HB1 GLU 123 -21.252 -5.778 -5.149 924 HG2 GLU 123 HG2 GLU 123 -21.121 -7.930 -4.182 925 HG3 GLU 123 HG1 GLU 123 -21.839 -8.116 -5.783 926 HA PRO 124 HA PRO 124 -23.938 -5.955 -9.526 927 HB2 PRO 124 HB2 PRO 124 -24.314 -8.878 -9.507 928 HB3 PRO 124 HB1 PRO 124 -24.310 -7.758 -10.870 929 HG2 PRO 124 HG2 PRO 124 -22.285 -9.464 -10.446 930 HG3 PRO 124 HG1 PRO 124 -22.018 -7.841 -11.106 931 HD2 PRO 124 HD2 PRO 124 -21.572 -8.852 -8.327 932 HD3 PRO 124 HD1 PRO 124 -20.599 -7.726 -9.293 933 H ALA 125 HN ALA 125 -24.470 -5.196 -7.245 934 HA ALA 125 HA ALA 125 -26.703 -6.718 -6.217 935 HB1 ALA 125 HB1 ALA 125 -25.877 -6.851 -3.934 936 HB2 ALA 125 HB2 ALA 125 -24.346 -6.128 -4.430 937 HB3 ALA 125 HB3 ALA 125 -24.803 -7.724 -5.030 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 -23.079 -3.391 -1.107 2 H2 GLY 1 HT2 GLY 1 -21.728 -4.385 -1.306 3 H3 GLY 1 HT3 GLY 1 -22.094 -3.209 -2.466 4 HA2 GLY 1 HA1 GLY 1 -20.254 -2.507 -1.067 5 HA3 GLY 1 HA2 GLY 1 -21.647 -1.447 -0.911 6 H ALA 2 HN ALA 2 -19.297 -2.566 0.870 7 HA ALA 2 HA ALA 2 -20.936 -2.713 3.283 8 HB1 ALA 2 HB1 ALA 2 -20.552 -5.040 2.626 9 HB2 ALA 2 HB2 ALA 2 -19.718 -4.651 4.130 10 HB3 ALA 2 HB3 ALA 2 -18.813 -4.750 2.619 11 H MET 3 HN MET 3 -19.688 -2.373 5.250 12 HA MET 3 HA MET 3 -18.093 -1.453 6.567 13 HB2 MET 3 HB2 MET 3 -16.400 -1.734 4.104 14 HB3 MET 3 HB1 MET 3 -15.798 -0.923 5.539 15 HG2 MET 3 HG2 MET 3 -15.005 -3.139 5.614 16 HG3 MET 3 HG1 MET 3 -16.284 -3.020 6.817 17 HE1 MET 3 HE1 MET 3 -16.505 -6.719 5.498 18 HE2 MET 3 HE2 MET 3 -16.271 -5.695 6.915 19 HE3 MET 3 HE3 MET 3 -15.036 -5.756 5.656 20 H GLY 4 HN GLY 4 -19.027 0.028 3.633 21 HA2 GLY 4 HA2 GLY 4 -19.584 2.263 3.283 22 HA3 GLY 4 HA1 GLY 4 -18.848 2.659 4.833 23 H MET 5 HN MET 5 -16.628 2.994 4.958 24 HA MET 5 HA MET 5 -15.364 3.604 2.379 25 HB2 MET 5 HB2 MET 5 -14.930 4.673 5.151 26 HB3 MET 5 HB1 MET 5 -13.710 4.861 3.901 27 HG2 MET 5 HG2 MET 5 -15.409 5.997 2.496 28 HG3 MET 5 HG1 MET 5 -16.522 5.918 3.861 29 HE1 MET 5 HE1 MET 5 -15.481 8.564 2.222 30 HE2 MET 5 HE2 MET 5 -15.367 9.707 3.559 31 HE3 MET 5 HE3 MET 5 -16.740 8.608 3.456 32 HA PRO 6 HA PRO 6 -12.705 0.093 3.022 33 HB2 PRO 6 HB2 PRO 6 -10.946 1.413 1.074 34 HB3 PRO 6 HB1 PRO 6 -11.743 -0.156 0.979 35 HG2 PRO 6 HG2 PRO 6 -12.541 1.904 -0.518 36 HG3 PRO 6 HG1 PRO 6 -13.694 0.732 0.135 37 HD2 PRO 6 HD2 PRO 6 -13.030 3.480 1.108 38 HD3 PRO 6 HD1 PRO 6 -14.612 2.695 0.967 39 H LYS 7 HN LYS 7 -11.079 -0.240 4.432 40 HA LYS 7 HA LYS 7 -9.584 2.043 5.410 41 HB2 LYS 7 HB2 LYS 7 -10.196 -0.604 6.403 42 HB3 LYS 7 HB1 LYS 7 -8.502 -0.169 6.626 43 HG2 LYS 7 HG2 LYS 7 -9.557 2.105 7.401 44 HG3 LYS 7 HG1 LYS 7 -10.932 1.062 7.765 45 HD2 LYS 7 HD2 LYS 7 -9.582 -0.278 9.203 46 HD3 LYS 7 HD1 LYS 7 -8.136 0.598 8.688 47 HE2 LYS 7 HE2 LYS 7 -8.917 1.352 10.894 48 HE3 LYS 7 HE1 LYS 7 -8.959 2.637 9.693 49 HZ1 LYS 7 HZ1 LYS 7 -11.301 1.046 10.598 50 HZ2 LYS 7 HZ2 LYS 7 -11.335 2.290 9.454 51 HZ3 LYS 7 HZ3 LYS 7 -10.943 2.633 11.060 52 H VAL 8 HN VAL 8 -7.961 2.747 4.335 53 HA VAL 8 HA VAL 8 -6.318 0.896 2.770 54 HB VAL 8 HB VAL 8 -6.367 3.914 2.665 55 HG11 VAL 8 HG11 VAL 8 -5.202 3.609 0.534 56 HG12 VAL 8 HG12 VAL 8 -5.188 1.864 0.793 57 HG13 VAL 8 HG13 VAL 8 -4.288 2.925 1.878 58 HG21 VAL 8 HG21 VAL 8 -7.703 3.687 0.642 59 HG22 VAL 8 HG22 VAL 8 -8.539 2.975 2.021 60 HG23 VAL 8 HG23 VAL 8 -7.737 1.937 0.843 61 H LEU 9 HN LEU 9 -4.516 0.256 3.654 62 HA LEU 9 HA LEU 9 -3.240 1.885 5.710 63 HB2 LEU 9 HB2 LEU 9 -3.660 -0.389 6.318 64 HB3 LEU 9 HB1 LEU 9 -2.915 -0.983 4.853 65 HG LEU 9 HG LEU 9 -0.727 -0.163 5.664 66 HD11 LEU 9 HD11 LEU 9 -1.637 1.644 7.092 67 HD12 LEU 9 HD12 LEU 9 -0.490 0.605 7.942 68 HD13 LEU 9 HD13 LEU 9 -2.223 0.418 8.218 69 HD21 LEU 9 HD21 LEU 9 -0.513 -1.837 7.491 70 HD22 LEU 9 HD22 LEU 9 -1.294 -2.456 6.036 71 HD23 LEU 9 HD23 LEU 9 -2.263 -2.035 7.449 72 H VAL 10 HN VAL 10 -1.817 3.315 4.970 73 HA VAL 10 HA VAL 10 -0.349 2.757 2.514 74 HB VAL 10 HB VAL 10 -0.736 5.265 4.135 75 HG11 VAL 10 HG11 VAL 10 1.639 5.178 3.451 76 HG12 VAL 10 HG12 VAL 10 0.753 6.452 2.615 77 HG13 VAL 10 HG13 VAL 10 1.132 4.946 1.779 78 HG21 VAL 10 HG21 VAL 10 -1.288 4.544 1.259 79 HG22 VAL 10 HG22 VAL 10 -1.643 6.098 2.021 80 HG23 VAL 10 HG23 VAL 10 -2.484 4.641 2.554 81 H LEU 11 HN LEU 11 1.575 1.956 2.516 82 HA LEU 11 HA LEU 11 3.315 2.258 4.855 83 HB2 LEU 11 HB2 LEU 11 2.977 0.200 2.816 84 HB3 LEU 11 HB1 LEU 11 4.654 0.671 3.016 85 HG LEU 11 HG LEU 11 4.205 -1.243 4.396 86 HD11 LEU 11 HD11 LEU 11 4.784 -0.354 6.604 87 HD12 LEU 11 HD12 LEU 11 4.323 1.270 6.086 88 HD13 LEU 11 HD13 LEU 11 5.697 0.461 5.334 89 HD21 LEU 11 HD21 LEU 11 1.739 -0.826 4.486 90 HD22 LEU 11 HD22 LEU 11 2.042 0.399 5.719 91 HD23 LEU 11 HD23 LEU 11 2.454 -1.286 6.027 92 H GLU 12 HN GLU 12 4.419 4.063 4.735 93 HA GLU 12 HA GLU 12 6.185 4.573 2.559 94 HB2 GLU 12 HB2 GLU 12 4.136 5.368 1.498 95 HB3 GLU 12 HB1 GLU 12 3.795 6.402 2.876 96 HG2 GLU 12 HG2 GLU 12 4.678 7.630 0.948 97 HG3 GLU 12 HG1 GLU 12 5.694 7.785 2.375 98 H ASP 13 HN ASP 13 7.850 5.679 3.270 99 HA ASP 13 HA ASP 13 7.741 6.723 5.998 100 HB2 ASP 13 HB2 ASP 13 9.503 5.134 5.581 101 HB3 ASP 13 HB1 ASP 13 10.039 6.023 4.168 102 H GLU 14 HN GLU 14 7.942 7.699 2.718 103 HA GLU 14 HA GLU 14 8.859 10.382 3.263 104 HB2 GLU 14 HB2 GLU 14 7.711 9.068 0.803 105 HB3 GLU 14 HB1 GLU 14 8.203 10.756 0.867 106 HG2 GLU 14 HG2 GLU 14 10.043 8.465 1.483 107 HG3 GLU 14 HG1 GLU 14 9.884 9.207 -0.104 108 HA PRO 15 HA PRO 15 4.740 11.297 4.836 109 HB2 PRO 15 HB2 PRO 15 5.860 14.003 5.048 110 HB3 PRO 15 HB1 PRO 15 5.097 13.000 6.279 111 HG2 PRO 15 HG2 PRO 15 7.732 13.399 6.293 112 HG3 PRO 15 HG1 PRO 15 7.042 11.819 6.713 113 HD2 PRO 15 HD2 PRO 15 8.323 12.707 4.157 114 HD3 PRO 15 HD1 PRO 15 8.490 11.167 5.025 115 H LEU 16 HN LEU 16 6.387 13.054 2.277 116 HA LEU 16 HA LEU 16 4.125 14.597 1.496 117 HB2 LEU 16 HB2 LEU 16 6.526 15.043 0.863 118 HB3 LEU 16 HB1 LEU 16 6.422 13.683 -0.235 119 HG LEU 16 HG LEU 16 6.185 15.988 -1.260 120 HD11 LEU 16 HD11 LEU 16 3.947 14.032 -1.709 121 HD12 LEU 16 HD12 LEU 16 5.534 13.997 -2.476 122 HD13 LEU 16 HD13 LEU 16 4.423 15.326 -2.809 123 HD21 LEU 16 HD21 LEU 16 3.459 15.850 0.011 124 HD22 LEU 16 HD22 LEU 16 4.030 17.082 -1.114 125 HD23 LEU 16 HD23 LEU 16 4.757 16.945 0.488 126 H ILE 17 HN ILE 17 5.568 11.623 0.197 127 HA ILE 17 HA ILE 17 3.524 11.050 -1.647 128 HB ILE 17 HB ILE 17 5.517 9.241 -0.269 129 HG12 ILE 17 HG12 ILE 17 6.476 9.178 -2.615 130 HG13 ILE 17 HG11 ILE 17 5.399 10.511 -3.001 131 HG21 ILE 17 HG21 ILE 17 3.620 8.570 -2.512 132 HG22 ILE 17 HG22 ILE 17 3.604 7.902 -0.879 133 HG23 ILE 17 HG23 ILE 17 4.949 7.550 -1.963 134 HD11 ILE 17 HD11 ILE 17 7.565 10.537 -0.924 135 HD12 ILE 17 HD12 ILE 17 6.504 11.884 -1.332 136 HD13 ILE 17 HD13 ILE 17 7.650 11.272 -2.522 137 H ALA 18 HN ALA 18 4.080 10.032 1.688 138 HA ALA 18 HA ALA 18 1.935 8.268 1.980 139 HB1 ALA 18 HB1 ALA 18 3.751 8.527 3.623 140 HB2 ALA 18 HB2 ALA 18 2.157 8.621 4.370 141 HB3 ALA 18 HB3 ALA 18 3.090 10.094 4.090 142 H MET 19 HN MET 19 2.090 11.729 2.777 143 HA MET 19 HA MET 19 -0.590 12.061 3.478 144 HB2 MET 19 HB2 MET 19 1.314 13.609 3.949 145 HB3 MET 19 HB1 MET 19 1.259 14.092 2.262 146 HG2 MET 19 HG2 MET 19 -1.064 14.833 2.588 147 HG3 MET 19 HG1 MET 19 -0.901 14.446 4.299 148 HE1 MET 19 HE1 MET 19 1.642 17.658 2.175 149 HE2 MET 19 HE2 MET 19 0.450 16.653 1.352 150 HE3 MET 19 HE3 MET 19 1.919 15.926 2.002 151 H ASN 20 HN ASN 20 1.068 12.321 0.372 152 HA ASN 20 HA ASN 20 -1.057 13.418 -1.089 153 HB2 ASN 20 HB2 ASN 20 1.508 12.037 -1.695 154 HB3 ASN 20 HB1 ASN 20 0.343 12.196 -2.989 155 HD21 ASN 20 HD21 ASN 20 1.887 13.525 -4.060 156 HD22 ASN 20 HD22 ASN 20 2.083 15.182 -3.607 157 H LEU 21 HN LEU 21 -0.023 10.046 -0.603 158 HA LEU 21 HA LEU 21 -2.110 8.867 -2.082 159 HB2 LEU 21 HB2 LEU 21 -0.381 7.910 0.176 160 HB3 LEU 21 HB1 LEU 21 -1.617 6.896 -0.526 161 HG LEU 21 HG LEU 21 0.588 8.126 -2.157 162 HD11 LEU 21 HD11 LEU 21 1.569 6.699 -0.432 163 HD12 LEU 21 HD12 LEU 21 1.725 5.987 -2.038 164 HD13 LEU 21 HD13 LEU 21 0.503 5.381 -0.919 165 HD21 LEU 21 HD21 LEU 21 -1.234 5.783 -2.650 166 HD22 LEU 21 HD22 LEU 21 -0.035 6.437 -3.767 167 HD23 LEU 21 HD23 LEU 21 -1.447 7.397 -3.325 168 H GLN 22 HN GLN 22 -1.756 9.730 1.295 169 HA GLN 22 HA GLN 22 -4.110 8.771 2.349 170 HB2 GLN 22 HB2 GLN 22 -2.119 9.951 3.454 171 HB3 GLN 22 HB1 GLN 22 -2.948 11.443 3.069 172 HG2 GLN 22 HG2 GLN 22 -4.796 10.861 4.456 173 HG3 GLN 22 HG1 GLN 22 -4.143 9.243 4.717 174 HE21 GLN 22 HE21 GLN 22 -4.802 11.305 6.660 175 HE22 GLN 22 HE22 GLN 22 -3.343 11.608 7.540 176 H TYR 23 HN TYR 23 -3.536 11.983 0.903 177 HA TYR 23 HA TYR 23 -6.214 12.850 1.084 178 HB2 TYR 23 HB2 TYR 23 -3.906 13.706 -0.640 179 HB3 TYR 23 HB1 TYR 23 -5.492 14.442 -0.796 180 HD1 TYR 23 HD2 TYR 23 -6.371 14.639 1.997 181 HD2 TYR 23 HD1 TYR 23 -2.542 15.333 0.281 182 HE1 TYR 23 HE2 TYR 23 -5.833 16.176 3.837 183 HE2 TYR 23 HE1 TYR 23 -1.993 16.872 2.116 184 HH TYR 23 HH TYR 23 -3.150 18.265 3.755 185 H ALA 24 HN ALA 24 -4.528 10.940 -1.312 186 HA ALA 24 HA ALA 24 -6.420 11.274 -3.400 187 HB1 ALA 24 HB1 ALA 24 -5.299 9.383 -4.461 188 HB2 ALA 24 HB2 ALA 24 -4.433 9.047 -2.962 189 HB3 ALA 24 HB3 ALA 24 -4.133 10.548 -3.836 190 H PHE 25 HN PHE 25 -5.900 8.669 -1.033 191 HA PHE 25 HA PHE 25 -8.096 7.114 -1.906 192 HB2 PHE 25 HB2 PHE 25 -6.497 7.154 0.641 193 HB3 PHE 25 HB1 PHE 25 -7.834 6.039 0.395 194 HD1 PHE 25 HD2 PHE 25 -7.715 4.350 -1.391 195 HD2 PHE 25 HD1 PHE 25 -4.387 6.794 -0.384 196 HE1 PHE 25 HE2 PHE 25 -6.222 2.782 -2.545 197 HE2 PHE 25 HE1 PHE 25 -2.883 5.230 -1.545 198 HZ PHE 25 HZ PHE 25 -3.799 3.221 -2.622 199 H GLU 26 HN GLU 26 -7.732 9.522 0.675 200 HA GLU 26 HA GLU 26 -10.361 9.256 1.671 201 HB2 GLU 26 HB2 GLU 26 -8.397 11.543 1.815 202 HB3 GLU 26 HB1 GLU 26 -9.962 11.568 2.620 203 HG2 GLU 26 HG2 GLU 26 -9.279 9.450 3.787 204 HG3 GLU 26 HG1 GLU 26 -7.666 9.690 3.121 205 H ASP 27 HN ASP 27 -9.039 10.953 -1.065 206 HA ASP 27 HA ASP 27 -11.342 12.549 -1.599 207 HB2 ASP 27 HB2 ASP 27 -9.142 13.108 -2.526 208 HB3 ASP 27 HB1 ASP 27 -9.172 11.631 -3.476 209 H GLU 28 HN GLU 28 -10.339 9.307 -2.442 210 HA GLU 28 HA GLU 28 -12.457 8.916 -4.354 211 HB2 GLU 28 HB2 GLU 28 -10.466 7.045 -3.080 212 HB3 GLU 28 HB1 GLU 28 -11.709 6.492 -4.192 213 HG2 GLU 28 HG2 GLU 28 -9.586 8.524 -4.833 214 HG3 GLU 28 HG1 GLU 28 -9.541 6.820 -5.287 215 H GLY 29 HN GLY 29 -12.261 8.888 -0.997 216 HA2 GLY 29 HA2 GLY 29 -14.220 8.712 0.346 217 HA3 GLY 29 HA1 GLY 29 -14.905 7.623 -0.852 218 H ALA 30 HN ALA 30 -11.831 7.642 0.932 219 HA ALA 30 HA ALA 30 -12.604 5.131 2.221 220 HB1 ALA 30 HB1 ALA 30 -11.315 4.536 0.213 221 HB2 ALA 30 HB2 ALA 30 -10.448 4.117 1.689 222 HB3 ALA 30 HB3 ALA 30 -9.985 5.550 0.772 223 H GLU 31 HN GLU 31 -11.036 4.582 4.015 224 HA GLU 31 HA GLU 31 -10.061 7.070 5.252 225 HB2 GLU 31 HB2 GLU 31 -11.841 5.986 6.537 226 HB3 GLU 31 HB1 GLU 31 -10.916 4.491 6.577 227 HG2 GLU 31 HG2 GLU 31 -9.229 5.491 7.942 228 HG3 GLU 31 HG1 GLU 31 -9.962 7.085 7.765 229 H VAL 32 HN VAL 32 -7.969 7.226 5.810 230 HA VAL 32 HA VAL 32 -6.267 5.013 4.883 231 HB VAL 32 HB VAL 32 -5.588 7.950 5.028 232 HG11 VAL 32 HG11 VAL 32 -3.659 7.376 3.665 233 HG12 VAL 32 HG12 VAL 32 -4.137 5.675 3.679 234 HG13 VAL 32 HG13 VAL 32 -3.641 6.463 5.176 235 HG21 VAL 32 HG21 VAL 32 -6.318 6.300 2.618 236 HG22 VAL 32 HG22 VAL 32 -5.872 8.006 2.628 237 HG23 VAL 32 HG23 VAL 32 -7.367 7.481 3.401 238 H VAL 33 HN VAL 33 -4.754 4.173 6.178 239 HA VAL 33 HA VAL 33 -4.086 5.596 8.667 240 HB VAL 33 HB VAL 33 -3.611 2.675 8.181 241 HG11 VAL 33 HG11 VAL 33 -2.259 3.790 9.893 242 HG12 VAL 33 HG12 VAL 33 -3.337 2.579 10.586 243 HG13 VAL 33 HG13 VAL 33 -3.735 4.291 10.719 244 HG21 VAL 33 HG21 VAL 33 -6.014 3.006 8.050 245 HG22 VAL 33 HG22 VAL 33 -5.988 3.922 9.557 246 HG23 VAL 33 HG23 VAL 33 -5.592 2.204 9.564 247 H VAL 34 HN VAL 34 -2.072 6.402 8.720 248 HA VAL 34 HA VAL 34 -0.267 5.661 6.563 249 HB VAL 34 HB VAL 34 -0.768 8.035 6.991 250 HG11 VAL 34 HG11 VAL 34 -1.016 8.047 9.376 251 HG12 VAL 34 HG12 VAL 34 0.265 9.169 8.920 252 HG13 VAL 34 HG13 VAL 34 0.673 7.591 9.591 253 HG21 VAL 34 HG21 VAL 34 1.301 7.417 5.874 254 HG22 VAL 34 HG22 VAL 34 2.118 7.289 7.430 255 HG23 VAL 34 HG23 VAL 34 1.532 8.855 6.868 256 H ALA 35 HN ALA 35 1.463 4.410 6.825 257 HA ALA 35 HA ALA 35 2.689 4.183 9.480 258 HB1 ALA 35 HB1 ALA 35 2.093 1.792 7.737 259 HB2 ALA 35 HB2 ALA 35 1.157 2.259 9.159 260 HB3 ALA 35 HB3 ALA 35 2.849 1.788 9.334 261 H ALA 36 HN ALA 36 4.861 4.188 9.433 262 HA ALA 36 HA ALA 36 6.139 4.299 6.797 263 HB1 ALA 36 HB1 ALA 36 7.231 5.122 9.482 264 HB2 ALA 36 HB2 ALA 36 6.463 6.205 8.320 265 HB3 ALA 36 HB3 ALA 36 7.984 5.409 7.908 266 H THR 37 HN THR 37 5.687 2.145 9.327 267 HA THR 37 HA THR 37 8.073 0.616 8.544 268 HB THR 37 HB THR 37 8.300 -0.186 10.863 269 HG1 THR 37 HG1 THR 37 7.111 1.119 12.479 270 HG21 THR 37 HG21 THR 37 9.644 1.733 10.158 271 HG22 THR 37 HG22 THR 37 9.200 1.855 11.861 272 HG23 THR 37 HG23 THR 37 8.349 2.822 10.658 273 H CYS 38 HN CYS 38 7.881 -1.717 9.083 274 HA CYS 38 HA CYS 38 5.404 -2.808 8.286 275 HB2 CYS 38 HB2 CYS 38 7.747 -4.148 9.646 276 HB3 CYS 38 HB1 CYS 38 6.419 -4.984 8.854 277 HG CYS 38 HG CYS 38 8.975 -3.237 7.448 278 H GLU 39 HN GLU 39 6.892 -2.231 11.410 279 HA GLU 39 HA GLU 39 5.082 -3.616 13.039 280 HB2 GLU 39 HB2 GLU 39 6.552 -1.047 13.613 281 HB3 GLU 39 HB1 GLU 39 5.796 -2.068 14.820 282 HG2 GLU 39 HG2 GLU 39 7.383 -3.759 14.549 283 HG3 GLU 39 HG1 GLU 39 7.953 -3.093 13.019 284 H GLN 40 HN GLN 40 5.109 -0.185 12.043 285 HA GLN 40 HA GLN 40 2.752 0.615 13.267 286 HB2 GLN 40 HB2 GLN 40 4.267 1.535 10.865 287 HB3 GLN 40 HB1 GLN 40 2.702 2.238 11.213 288 HG2 GLN 40 HG2 GLN 40 3.478 2.990 13.359 289 HG3 GLN 40 HG1 GLN 40 5.030 2.205 13.096 290 HE21 GLN 40 HE21 GLN 40 6.535 3.155 11.810 291 HE22 GLN 40 HE22 GLN 40 6.378 4.769 11.204 292 H ALA 41 HN ALA 41 3.270 -0.978 10.203 293 HA ALA 41 HA ALA 41 0.611 -0.765 9.247 294 HB1 ALA 41 HB1 ALA 41 2.702 -2.816 8.550 295 HB2 ALA 41 HB2 ALA 41 2.609 -1.196 7.863 296 HB3 ALA 41 HB3 ALA 41 1.305 -2.351 7.578 297 H LEU 42 HN LEU 42 2.399 -3.464 10.718 298 HA LEU 42 HA LEU 42 0.293 -5.289 10.891 299 HB2 LEU 42 HB2 LEU 42 2.909 -4.900 12.215 300 HB3 LEU 42 HB1 LEU 42 1.769 -5.927 13.056 301 HG LEU 42 HG LEU 42 1.822 -7.569 11.398 302 HD11 LEU 42 HD11 LEU 42 3.180 -5.668 9.493 303 HD12 LEU 42 HD12 LEU 42 1.455 -6.028 9.474 304 HD13 LEU 42 HD13 LEU 42 2.621 -7.310 9.153 305 HD21 LEU 42 HD21 LEU 42 4.526 -6.282 11.647 306 HD22 LEU 42 HD22 LEU 42 4.272 -7.850 10.872 307 HD23 LEU 42 HD23 LEU 42 3.865 -7.632 12.574 308 H LYS 43 HN LYS 43 1.234 -2.650 13.014 309 HA LYS 43 HA LYS 43 -0.422 -3.250 15.194 310 HB2 LYS 43 HB2 LYS 43 1.381 -1.541 15.197 311 HB3 LYS 43 HB1 LYS 43 0.385 -0.523 14.168 312 HG2 LYS 43 HG2 LYS 43 -1.302 -0.386 15.923 313 HG3 LYS 43 HG1 LYS 43 -0.308 -1.412 16.959 314 HD2 LYS 43 HD2 LYS 43 1.465 0.265 16.929 315 HD3 LYS 43 HD1 LYS 43 0.488 1.289 15.874 316 HE2 LYS 43 HE2 LYS 43 -1.213 1.473 17.603 317 HE3 LYS 43 HE1 LYS 43 -0.280 0.404 18.649 318 HZ1 LYS 43 HZ1 LYS 43 0.015 2.742 19.211 319 HZ2 LYS 43 HZ2 LYS 43 0.633 3.050 17.669 320 HZ3 LYS 43 HZ3 LYS 43 1.473 2.034 18.729 321 H SER 44 HN SER 44 -0.994 -1.093 12.432 322 HA SER 44 HA SER 44 -3.669 -0.503 13.124 323 HB2 SER 44 HB2 SER 44 -2.306 0.880 11.575 324 HB3 SER 44 HB1 SER 44 -2.404 -0.408 10.373 325 HG SER 44 HG SER 44 -4.385 1.341 11.294 326 H LEU 45 HN LEU 45 -2.198 -3.009 11.134 327 HA LEU 45 HA LEU 45 -4.513 -4.062 9.987 328 HB2 LEU 45 HB2 LEU 45 -1.788 -5.054 10.606 329 HB3 LEU 45 HB1 LEU 45 -2.992 -6.218 10.130 330 HG LEU 45 HG LEU 45 -2.270 -3.807 8.477 331 HD11 LEU 45 HD11 LEU 45 -0.992 -5.357 7.076 332 HD12 LEU 45 HD12 LEU 45 -1.284 -6.646 8.244 333 HD13 LEU 45 HD13 LEU 45 -0.320 -5.243 8.702 334 HD21 LEU 45 HD21 LEU 45 -3.401 -5.027 6.696 335 HD22 LEU 45 HD22 LEU 45 -4.488 -4.751 8.058 336 HD23 LEU 45 HD23 LEU 45 -3.764 -6.340 7.816 337 H ALA 46 HN ALA 46 -2.991 -4.573 13.129 338 HA ALA 46 HA ALA 46 -4.655 -6.815 13.817 339 HB1 ALA 46 HB1 ALA 46 -2.880 -5.127 15.574 340 HB2 ALA 46 HB2 ALA 46 -2.386 -6.581 14.708 341 HB3 ALA 46 HB3 ALA 46 -3.585 -6.687 15.997 342 H ASP 47 HN ASP 47 -4.695 -3.359 14.399 343 HA ASP 47 HA ASP 47 -6.790 -3.573 16.395 344 HB2 ASP 47 HB2 ASP 47 -4.949 -1.886 16.542 345 HB3 ASP 47 HB1 ASP 47 -5.624 -1.086 15.131 346 H ASN 48 HN ASN 48 -6.455 -2.823 13.023 347 HA ASN 48 HA ASN 48 -9.331 -2.191 12.881 348 HB2 ASN 48 HB2 ASN 48 -7.152 -1.075 11.125 349 HB3 ASN 48 HB1 ASN 48 -8.847 -0.675 11.037 350 HD21 ASN 48 HD21 ASN 48 -5.893 -0.176 12.673 351 HD22 ASN 48 HD22 ASN 48 -6.418 1.114 13.699 352 HA PRO 49 HA PRO 49 -9.393 -5.144 9.526 353 HB2 PRO 49 HB2 PRO 49 -11.797 -4.589 8.523 354 HB3 PRO 49 HB1 PRO 49 -11.625 -5.220 10.164 355 HG2 PRO 49 HG2 PRO 49 -12.290 -2.477 9.255 356 HG3 PRO 49 HG1 PRO 49 -12.724 -3.297 10.767 357 HD2 PRO 49 HD2 PRO 49 -10.590 -1.450 10.297 358 HD3 PRO 49 HD1 PRO 49 -10.972 -2.284 11.807 359 H ILE 50 HN ILE 50 -7.706 -4.343 8.217 360 HA ILE 50 HA ILE 50 -8.027 -2.074 6.523 361 HB ILE 50 HB ILE 50 -5.928 -4.233 6.642 362 HG12 ILE 50 HG12 ILE 50 -6.056 -2.794 8.600 363 HG13 ILE 50 HG11 ILE 50 -4.582 -2.489 7.701 364 HG21 ILE 50 HG21 ILE 50 -4.541 -2.780 5.274 365 HG22 ILE 50 HG22 ILE 50 -5.900 -1.677 5.069 366 HG23 ILE 50 HG23 ILE 50 -5.982 -3.309 4.406 367 HD11 ILE 50 HD11 ILE 50 -5.519 -0.415 8.461 368 HD12 ILE 50 HD12 ILE 50 -7.073 -0.788 7.712 369 HD13 ILE 50 HD13 ILE 50 -5.648 -0.501 6.699 370 H ASP 51 HN ASP 51 -8.911 -1.972 4.602 371 HA ASP 51 HA ASP 51 -9.896 -4.400 3.352 372 HB2 ASP 51 HB2 ASP 51 -10.384 -1.474 2.785 373 HB3 ASP 51 HB1 ASP 51 -11.065 -2.774 1.818 374 H VAL 52 HN VAL 52 -7.470 -1.961 2.877 375 HA VAL 52 HA VAL 52 -6.254 -3.446 0.757 376 HB VAL 52 HB VAL 52 -8.052 -2.302 -0.507 377 HG11 VAL 52 HG11 VAL 52 -7.885 0.152 -0.828 378 HG12 VAL 52 HG12 VAL 52 -6.721 0.201 0.494 379 HG13 VAL 52 HG13 VAL 52 -8.377 -0.329 0.796 380 HG21 VAL 52 HG21 VAL 52 -6.635 -1.303 -2.241 381 HG22 VAL 52 HG22 VAL 52 -5.974 -2.826 -1.641 382 HG23 VAL 52 HG23 VAL 52 -5.280 -1.294 -1.113 383 H ALA 53 HN ALA 53 -4.190 -2.460 0.098 384 HA ALA 53 HA ALA 53 -3.269 -0.335 1.888 385 HB1 ALA 53 HB1 ALA 53 -2.773 -2.521 2.936 386 HB2 ALA 53 HB2 ALA 53 -1.330 -1.575 2.565 387 HB3 ALA 53 HB3 ALA 53 -1.786 -2.931 1.529 388 H VAL 54 HN VAL 54 -1.091 0.442 1.306 389 HA VAL 54 HA VAL 54 -0.287 -0.040 -1.469 390 HB VAL 54 HB VAL 54 0.163 2.706 -0.983 391 HG11 VAL 54 HG11 VAL 54 -1.727 1.225 -2.797 392 HG12 VAL 54 HG12 VAL 54 -0.089 1.796 -3.165 393 HG13 VAL 54 HG13 VAL 54 -1.398 2.957 -2.913 394 HG21 VAL 54 HG21 VAL 54 -2.071 3.598 -0.669 395 HG22 VAL 54 HG22 VAL 54 -1.609 2.604 0.711 396 HG23 VAL 54 HG23 VAL 54 -2.719 1.969 -0.501 397 H LEU 55 HN LEU 55 1.793 -0.615 -1.363 398 HA LEU 55 HA LEU 55 3.251 0.168 1.061 399 HB2 LEU 55 HB2 LEU 55 3.134 -2.387 -0.481 400 HB3 LEU 55 HB1 LEU 55 4.547 -2.022 0.484 401 HG LEU 55 HG LEU 55 3.190 -1.964 2.512 402 HD11 LEU 55 HD11 LEU 55 1.102 -1.124 1.622 403 HD12 LEU 55 HD12 LEU 55 0.840 -2.650 2.472 404 HD13 LEU 55 HD13 LEU 55 0.871 -2.615 0.707 405 HD21 LEU 55 HD21 LEU 55 4.104 -4.095 1.875 406 HD22 LEU 55 HD22 LEU 55 2.733 -4.409 0.817 407 HD23 LEU 55 HD23 LEU 55 2.499 -4.330 2.566 408 H ASP 56 HN ASP 56 4.834 1.573 0.718 409 HA ASP 56 HA ASP 56 6.393 1.489 -1.725 410 HB2 ASP 56 HB2 ASP 56 6.071 3.677 -0.674 411 HB3 ASP 56 HB1 ASP 56 6.811 3.091 0.812 412 H VAL 57 HN VAL 57 8.508 0.803 -1.858 413 HA VAL 57 HA VAL 57 9.044 -1.339 0.061 414 HB VAL 57 HB VAL 57 10.167 -1.011 -2.721 415 HG11 VAL 57 HG11 VAL 57 11.370 -2.548 -1.268 416 HG12 VAL 57 HG12 VAL 57 10.547 -3.397 -2.576 417 HG13 VAL 57 HG13 VAL 57 9.870 -3.418 -0.949 418 HG21 VAL 57 HG21 VAL 57 7.750 -2.604 -1.891 419 HG22 VAL 57 HG22 VAL 57 8.405 -2.433 -3.519 420 HG23 VAL 57 HG23 VAL 57 7.690 -1.043 -2.706 421 H ASN 58 HN ASN 58 9.979 1.706 -0.350 422 HA ASN 58 HA ASN 58 12.746 1.173 0.521 423 HB2 ASN 58 HB2 ASN 58 12.529 2.180 -1.803 424 HB3 ASN 58 HB1 ASN 58 11.870 3.614 -1.030 425 HD21 ASN 58 HD21 ASN 58 14.286 3.226 -2.626 426 HD22 ASN 58 HD22 ASN 58 15.590 3.803 -1.640 427 H LEU 59 HN LEU 59 11.270 1.141 2.539 428 HA LEU 59 HA LEU 59 10.338 3.662 3.524 429 HB2 LEU 59 HB2 LEU 59 10.858 1.108 5.048 430 HB3 LEU 59 HB1 LEU 59 9.886 2.462 5.589 431 HG LEU 59 HG LEU 59 9.232 0.676 3.242 432 HD11 LEU 59 HD11 LEU 59 7.963 0.831 5.972 433 HD12 LEU 59 HD12 LEU 59 9.043 -0.449 5.419 434 HD13 LEU 59 HD13 LEU 59 7.477 -0.222 4.642 435 HD21 LEU 59 HD21 LEU 59 7.063 1.822 3.272 436 HD22 LEU 59 HD22 LEU 59 8.387 2.937 2.932 437 HD23 LEU 59 HD23 LEU 59 7.656 2.900 4.538 438 H GLY 60 HN GLY 60 13.339 2.092 3.391 439 HA2 GLY 60 HA2 GLY 60 14.732 4.316 4.405 440 HA3 GLY 60 HA1 GLY 60 14.660 3.073 5.650 441 HA PRO 61 HA PRO 61 18.487 2.430 2.941 442 HB2 PRO 61 HB2 PRO 61 19.317 1.533 5.639 443 HB3 PRO 61 HB1 PRO 61 20.227 2.443 4.437 444 HG2 PRO 61 HG2 PRO 61 19.211 3.657 6.576 445 HG3 PRO 61 HG1 PRO 61 19.205 4.450 4.991 446 HD2 PRO 61 HD2 PRO 61 16.964 3.189 6.487 447 HD3 PRO 61 HD1 PRO 61 16.951 4.584 5.392 448 H LYS 62 HN LYS 62 17.235 0.458 5.612 449 HA LYS 62 HA LYS 62 17.444 -1.898 3.857 450 HB2 LYS 62 HB2 LYS 62 18.921 -1.943 5.877 451 HB3 LYS 62 HB1 LYS 62 17.480 -1.866 6.881 452 HG2 LYS 62 HG2 LYS 62 16.712 -3.987 5.918 453 HG3 LYS 62 HG1 LYS 62 18.185 -4.070 4.955 454 HD2 LYS 62 HD2 LYS 62 18.025 -4.054 7.967 455 HD3 LYS 62 HD1 LYS 62 18.370 -5.454 6.952 456 HE2 LYS 62 HE2 LYS 62 20.056 -2.963 7.171 457 HE3 LYS 62 HE1 LYS 62 20.412 -4.520 7.916 458 HZ1 LYS 62 HZ1 LYS 62 20.586 -5.498 5.722 459 HZ2 LYS 62 HZ2 LYS 62 21.654 -4.197 5.872 460 HZ3 LYS 62 HZ3 LYS 62 20.222 -4.013 4.997 461 H SER 63 HN SER 63 15.458 0.061 5.888 462 HA SER 63 HA SER 63 13.378 -1.735 6.428 463 HB2 SER 63 HB2 SER 63 13.233 1.271 6.154 464 HB3 SER 63 HB1 SER 63 12.078 0.236 6.993 465 HG SER 63 HG SER 63 14.682 -0.103 7.807 466 H HIS 64 HN HIS 64 11.857 -2.548 5.222 467 HA HIS 64 HA HIS 64 10.928 -1.178 2.817 468 HB2 HIS 64 HB2 HIS 64 11.137 -3.268 1.476 469 HB3 HIS 64 HB1 HIS 64 12.699 -2.621 1.963 470 HD1 HIS 64 HD1 HIS 64 10.266 -5.112 3.534 471 HD2 HIS 64 HD2 HIS 64 14.305 -4.657 2.695 472 HE1 HIS 64 HE1 HIS 64 11.364 -7.177 4.421 473 HE2 HIS 64 HE2 HIS 64 13.815 -6.902 3.881 474 H CYS 65 HN CYS 65 8.823 -1.938 2.127 475 HA CYS 65 HA CYS 65 7.181 -3.067 4.143 476 HB2 CYS 65 HB2 CYS 65 5.450 -3.010 2.437 477 HB3 CYS 65 HB1 CYS 65 6.377 -1.517 2.398 478 HG CYS 65 HG CYS 65 7.220 -4.035 0.313 479 H GLY 66 HN GLY 66 8.231 -5.057 4.709 480 HA2 GLY 66 HA2 GLY 66 8.103 -7.139 2.614 481 HA3 GLY 66 HA1 GLY 66 9.197 -7.174 3.986 482 HA PRO 67 HA PRO 67 6.387 -9.495 6.517 483 HB2 PRO 67 HB2 PRO 67 6.274 -7.246 8.441 484 HB3 PRO 67 HB1 PRO 67 6.702 -8.934 8.705 485 HG2 PRO 67 HG2 PRO 67 8.552 -6.991 8.657 486 HG3 PRO 67 HG1 PRO 67 8.881 -8.635 8.085 487 HD2 PRO 67 HD2 PRO 67 8.474 -6.142 6.539 488 HD3 PRO 67 HD1 PRO 67 9.410 -7.591 6.142 489 H VAL 68 HN VAL 68 5.646 -6.150 5.806 490 HA VAL 68 HA VAL 68 2.895 -6.207 6.527 491 HB VAL 68 HB VAL 68 4.121 -4.471 4.384 492 HG11 VAL 68 HG11 VAL 68 2.337 -2.938 4.931 493 HG12 VAL 68 HG12 VAL 68 1.773 -4.004 6.217 494 HG13 VAL 68 HG13 VAL 68 1.662 -4.518 4.535 495 HG21 VAL 68 HG21 VAL 68 4.034 -4.003 7.362 496 HG22 VAL 68 HG22 VAL 68 4.517 -2.810 6.157 497 HG23 VAL 68 HG23 VAL 68 5.478 -4.271 6.388 498 H ALA 69 HN ALA 69 4.666 -6.733 3.532 499 HA ALA 69 HA ALA 69 2.505 -7.062 1.791 500 HB1 ALA 69 HB1 ALA 69 5.231 -8.353 1.722 501 HB2 ALA 69 HB2 ALA 69 4.803 -6.788 1.024 502 HB3 ALA 69 HB3 ALA 69 4.102 -8.270 0.369 503 H ASP 70 HN ASP 70 4.358 -9.419 3.669 504 HA ASP 70 HA ASP 70 2.825 -11.675 2.941 505 HB2 ASP 70 HB2 ASP 70 5.061 -11.892 3.911 506 HB3 ASP 70 HB1 ASP 70 4.500 -11.167 5.417 507 H ALA 71 HN ALA 71 2.623 -9.411 5.654 508 HA ALA 71 HA ALA 71 0.589 -10.523 7.157 509 HB1 ALA 71 HB1 ALA 71 0.948 -7.598 6.545 510 HB2 ALA 71 HB2 ALA 71 1.859 -8.504 7.756 511 HB3 ALA 71 HB3 ALA 71 0.118 -8.293 7.939 512 H LEU 72 HN LEU 72 0.335 -8.363 4.377 513 HA LEU 72 HA LEU 72 -2.498 -8.333 4.305 514 HB2 LEU 72 HB2 LEU 72 -0.434 -7.647 2.225 515 HB3 LEU 72 HB1 LEU 72 -2.146 -7.286 2.090 516 HG LEU 72 HG LEU 72 -0.333 -6.220 4.253 517 HD11 LEU 72 HD11 LEU 72 -1.419 -4.912 1.781 518 HD12 LEU 72 HD12 LEU 72 0.270 -5.304 2.126 519 HD13 LEU 72 HD13 LEU 72 -0.572 -4.091 3.098 520 HD21 LEU 72 HD21 LEU 72 -2.261 -4.708 4.671 521 HD22 LEU 72 HD22 LEU 72 -2.597 -6.402 5.026 522 HD23 LEU 72 HD23 LEU 72 -3.210 -5.678 3.541 523 H LYS 73 HN LYS 73 -0.015 -10.107 2.536 524 HA LYS 73 HA LYS 73 -1.661 -11.543 0.804 525 HB2 LYS 73 HB2 LYS 73 1.030 -12.046 2.000 526 HB3 LYS 73 HB1 LYS 73 0.283 -13.260 0.981 527 HG2 LYS 73 HG2 LYS 73 1.010 -10.440 0.229 528 HG3 LYS 73 HG1 LYS 73 1.761 -11.925 -0.336 529 HD2 LYS 73 HD2 LYS 73 -1.064 -11.042 -0.903 530 HD3 LYS 73 HD1 LYS 73 0.284 -11.007 -2.036 531 HE2 LYS 73 HE2 LYS 73 0.453 -13.424 -1.953 532 HE3 LYS 73 HE1 LYS 73 -0.835 -13.495 -0.751 533 HZ1 LYS 73 HZ1 LYS 73 -1.119 -12.502 -3.533 534 HZ2 LYS 73 HZ2 LYS 73 -2.356 -12.565 -2.384 535 HZ3 LYS 73 HZ3 LYS 73 -1.663 -13.995 -2.959 536 H GLN 74 HN GLN 74 -0.758 -12.153 4.147 537 HA GLN 74 HA GLN 74 -1.844 -14.746 4.364 538 HB2 GLN 74 HB2 GLN 74 -1.247 -12.606 6.386 539 HB3 GLN 74 HB1 GLN 74 -1.983 -14.137 6.855 540 HG2 GLN 74 HG2 GLN 74 0.669 -13.782 5.483 541 HG3 GLN 74 HG1 GLN 74 0.408 -14.188 7.174 542 HE21 GLN 74 HE21 GLN 74 -1.812 -15.983 6.617 543 HE22 GLN 74 HE22 GLN 74 -1.113 -17.411 5.937 544 H ARG 75 HN ARG 75 -3.285 -11.558 4.726 545 HA ARG 75 HA ARG 75 -5.805 -12.765 5.576 546 HB2 ARG 75 HB2 ARG 75 -5.033 -9.857 5.359 547 HB3 ARG 75 HB1 ARG 75 -6.492 -10.493 6.105 548 HG2 ARG 75 HG2 ARG 75 -5.163 -11.585 7.817 549 HG3 ARG 75 HG1 ARG 75 -3.683 -11.007 7.052 550 HD2 ARG 75 HD2 ARG 75 -4.329 -8.715 7.456 551 HD3 ARG 75 HD1 ARG 75 -5.873 -9.239 8.122 552 HE ARG 75 HE ARG 75 -3.487 -10.230 9.453 553 HH11 ARG 75 HH11 ARG 75 -6.067 -7.879 9.357 554 HH12 ARG 75 HH12 ARG 75 -5.904 -7.437 11.027 555 HH21 ARG 75 HH21 ARG 75 -3.272 -9.660 11.663 556 HH22 ARG 75 HH22 ARG 75 -4.337 -8.474 12.343 557 H ALA 76 HN ALA 76 -4.402 -12.307 2.742 558 HA ALA 76 HA ALA 76 -5.052 -12.058 0.589 559 HB1 ALA 76 HB1 ALA 76 -7.317 -12.669 -0.017 560 HB2 ALA 76 HB2 ALA 76 -7.839 -12.491 1.658 561 HB3 ALA 76 HB3 ALA 76 -6.707 -13.768 1.218 562 H ILE 77 HN ILE 77 -4.852 -9.700 2.295 563 HA ILE 77 HA ILE 77 -6.913 -7.891 1.371 564 HB ILE 77 HB ILE 77 -4.341 -7.350 2.875 565 HG12 ILE 77 HG12 ILE 77 -7.158 -7.333 3.955 566 HG13 ILE 77 HG11 ILE 77 -6.136 -8.765 4.007 567 HG21 ILE 77 HG21 ILE 77 -6.692 -5.573 2.249 568 HG22 ILE 77 HG22 ILE 77 -5.026 -5.369 1.705 569 HG23 ILE 77 HG23 ILE 77 -5.427 -5.174 3.414 570 HD11 ILE 77 HD11 ILE 77 -6.124 -7.528 6.114 571 HD12 ILE 77 HD12 ILE 77 -5.483 -6.114 5.276 572 HD13 ILE 77 HD13 ILE 77 -4.525 -7.594 5.375 573 HA PRO 78 HA PRO 78 -4.687 -7.001 -2.361 574 HB2 PRO 78 HB2 PRO 78 -6.222 -4.868 -3.124 575 HB3 PRO 78 HB1 PRO 78 -6.625 -6.557 -3.429 576 HG2 PRO 78 HG2 PRO 78 -7.762 -4.672 -1.481 577 HG3 PRO 78 HG1 PRO 78 -8.476 -6.122 -2.192 578 HD2 PRO 78 HD2 PRO 78 -7.429 -5.871 0.392 579 HD3 PRO 78 HD1 PRO 78 -7.857 -7.380 -0.422 580 H PHE 79 HN PHE 79 -3.077 -5.641 -2.935 581 HA PHE 79 HA PHE 79 -2.914 -2.983 -1.885 582 HB2 PHE 79 HB2 PHE 79 -0.784 -3.261 -0.706 583 HB3 PHE 79 HB1 PHE 79 -2.086 -4.156 0.054 584 HD1 PHE 79 HD2 PHE 79 -2.228 -6.653 -0.403 585 HD2 PHE 79 HD1 PHE 79 1.189 -4.296 -1.291 586 HE1 PHE 79 HE2 PHE 79 -0.841 -8.693 -0.438 587 HE2 PHE 79 HE1 PHE 79 2.585 -6.321 -1.329 588 HZ PHE 79 HZ PHE 79 1.571 -8.523 -0.901 589 H ILE 80 HN ILE 80 -1.136 -1.807 -2.715 590 HA ILE 80 HA ILE 80 0.009 -3.024 -5.144 591 HB ILE 80 HB ILE 80 -0.775 -0.133 -4.762 592 HG12 ILE 80 HG12 ILE 80 -2.057 -2.338 -6.380 593 HG13 ILE 80 HG11 ILE 80 -2.761 -1.487 -5.009 594 HG21 ILE 80 HG21 ILE 80 1.157 -0.376 -6.209 595 HG22 ILE 80 HG22 ILE 80 -0.260 0.103 -7.145 596 HG23 ILE 80 HG23 ILE 80 0.300 -1.572 -7.184 597 HD11 ILE 80 HD11 ILE 80 -2.770 0.578 -6.308 598 HD12 ILE 80 HD12 ILE 80 -3.698 -0.700 -7.091 599 HD13 ILE 80 HD13 ILE 80 -2.087 -0.290 -7.683 600 H LEU 81 HN LEU 81 2.172 -2.753 -5.444 601 HA LEU 81 HA LEU 81 3.646 -1.474 -3.283 602 HB2 LEU 81 HB2 LEU 81 4.662 -2.942 -5.723 603 HB3 LEU 81 HB1 LEU 81 5.660 -2.340 -4.418 604 HG LEU 81 HG LEU 81 5.495 -4.613 -3.982 605 HD11 LEU 81 HD11 LEU 81 4.144 -4.838 -1.964 606 HD12 LEU 81 HD12 LEU 81 3.282 -3.354 -2.372 607 HD13 LEU 81 HD13 LEU 81 5.003 -3.298 -1.997 608 HD21 LEU 81 HD21 LEU 81 3.510 -5.948 -4.147 609 HD22 LEU 81 HD22 LEU 81 3.730 -5.062 -5.658 610 HD23 LEU 81 HD23 LEU 81 2.528 -4.524 -4.487 611 H HIS 82 HN HIS 82 3.831 0.644 -3.424 612 HA HIS 82 HA HIS 82 4.196 1.820 -6.090 613 HB2 HIS 82 HB2 HIS 82 2.224 2.674 -4.948 614 HB3 HIS 82 HB1 HIS 82 3.173 3.085 -3.526 615 HD1 HIS 82 HD1 HIS 82 2.519 5.576 -3.674 616 HD2 HIS 82 HD2 HIS 82 4.458 4.152 -7.062 617 HE1 HIS 82 HE1 HIS 82 3.042 7.604 -5.067 618 HE2 HIS 82 HE2 HIS 82 4.419 6.737 -6.975 619 H THR 83 HN THR 83 6.332 1.422 -6.269 620 HA THR 83 HA THR 83 8.131 2.891 -4.465 621 HB THR 83 HB THR 83 8.163 0.517 -3.787 622 HG1 THR 83 HG1 THR 83 10.158 1.705 -3.794 623 HG21 THR 83 HG21 THR 83 8.993 -0.049 -6.639 624 HG22 THR 83 HG22 THR 83 7.402 -0.397 -5.955 625 HG23 THR 83 HG23 THR 83 8.832 -1.228 -5.334 626 H GLY 84 HN GLY 84 10.197 3.402 -5.449 627 HA2 GLY 84 HA2 GLY 84 10.181 3.289 -8.397 628 HA3 GLY 84 HA1 GLY 84 11.128 4.415 -7.428 629 H ASP 85 HN ASP 85 11.172 1.510 -5.920 630 HA ASP 85 HA ASP 85 13.890 0.988 -6.856 631 HB2 ASP 85 HB2 ASP 85 12.402 0.102 -4.381 632 HB3 ASP 85 HB1 ASP 85 14.037 -0.411 -4.781 633 H LEU 86 HN LEU 86 12.224 0.184 -8.724 634 HA LEU 86 HA LEU 86 11.064 -2.367 -8.424 635 HB2 LEU 86 HB2 LEU 86 11.992 -0.947 -10.919 636 HB3 LEU 86 HB1 LEU 86 10.976 -2.376 -10.894 637 HG LEU 86 HG LEU 86 10.203 0.278 -9.677 638 HD11 LEU 86 HD11 LEU 86 8.716 0.512 -11.599 639 HD12 LEU 86 HD12 LEU 86 9.370 -0.969 -12.295 640 HD13 LEU 86 HD13 LEU 86 10.403 0.448 -12.105 641 HD21 LEU 86 HD21 LEU 86 8.625 -2.235 -10.208 642 HD22 LEU 86 HD22 LEU 86 7.965 -0.714 -9.606 643 HD23 LEU 86 HD23 LEU 86 9.116 -1.625 -8.628 644 H ASP 87 HN ASP 87 14.212 -1.326 -9.665 645 HA ASP 87 HA ASP 87 15.046 -4.063 -10.095 646 HB2 ASP 87 HB2 ASP 87 15.941 -2.466 -11.630 647 HB3 ASP 87 HB1 ASP 87 16.501 -1.430 -10.321 648 H ARG 88 HN ARG 88 15.647 -1.475 -7.774 649 HA ARG 88 HA ARG 88 17.716 -2.625 -6.318 650 HB2 ARG 88 HB2 ARG 88 15.809 -0.477 -5.949 651 HB3 ARG 88 HB1 ARG 88 16.159 -1.294 -4.436 652 HG2 ARG 88 HG2 ARG 88 17.803 0.253 -4.383 653 HG3 ARG 88 HG1 ARG 88 18.651 -0.995 -5.288 654 HD2 ARG 88 HD2 ARG 88 17.126 1.265 -6.557 655 HD3 ARG 88 HD1 ARG 88 18.853 1.313 -6.226 656 HE ARG 88 HE ARG 88 18.464 -0.961 -7.714 657 HH11 ARG 88 HH11 ARG 88 17.812 2.454 -8.134 658 HH12 ARG 88 HH12 ARG 88 18.028 2.415 -9.856 659 HH21 ARG 88 HH21 ARG 88 18.751 -1.020 -9.983 660 HH22 ARG 88 HH22 ARG 88 18.573 0.448 -10.903 661 H HIS 89 HN HIS 89 14.215 -3.017 -5.950 662 HA HIS 89 HA HIS 89 14.749 -5.177 -4.014 663 HB2 HIS 89 HB2 HIS 89 12.488 -3.188 -4.115 664 HB3 HIS 89 HB1 HIS 89 12.418 -4.651 -3.145 665 HD1 HIS 89 HD1 HIS 89 14.349 -4.819 -1.238 666 HD2 HIS 89 HD2 HIS 89 13.719 -1.085 -2.935 667 HE1 HIS 89 HE1 HIS 89 15.430 -3.175 0.325 668 HE2 HIS 89 HE2 HIS 89 15.255 -0.963 -0.867 669 H GLY 90 HN GLY 90 14.608 -5.442 -6.880 670 HA2 GLY 90 HA2 GLY 90 12.093 -6.210 -7.829 671 HA3 GLY 90 HA1 GLY 90 13.624 -6.753 -8.481 672 H GLU 91 HN GLU 91 14.602 -8.132 -6.256 673 HA GLU 91 HA GLU 91 13.428 -10.652 -6.543 674 HB2 GLU 91 HB2 GLU 91 15.750 -10.164 -5.718 675 HB3 GLU 91 HB1 GLU 91 15.044 -9.686 -4.180 676 HG2 GLU 91 HG2 GLU 91 13.968 -12.045 -4.241 677 HG3 GLU 91 HG1 GLU 91 15.239 -12.393 -5.412 678 H LEU 92 HN LEU 92 13.132 -8.266 -3.944 679 HA LEU 92 HA LEU 92 11.421 -9.707 -2.260 680 HB2 LEU 92 HB2 LEU 92 12.649 -7.649 -1.633 681 HB3 LEU 92 HB1 LEU 92 11.577 -6.718 -2.658 682 HG LEU 92 HG LEU 92 9.669 -7.445 -1.207 683 HD11 LEU 92 HD11 LEU 92 10.180 -8.346 1.001 684 HD12 LEU 92 HD12 LEU 92 11.884 -8.464 0.566 685 HD13 LEU 92 HD13 LEU 92 10.690 -9.457 -0.271 686 HD21 LEU 92 HD21 LEU 92 10.200 -5.899 0.594 687 HD22 LEU 92 HD22 LEU 92 10.745 -5.266 -0.959 688 HD23 LEU 92 HD23 LEU 92 11.908 -5.968 0.164 689 H LEU 93 HN LEU 93 10.746 -7.397 -4.842 690 HA LEU 93 HA LEU 93 7.972 -7.302 -4.648 691 HB2 LEU 93 HB2 LEU 93 9.784 -7.016 -7.041 692 HB3 LEU 93 HB1 LEU 93 8.092 -6.571 -7.031 693 HG LEU 93 HG LEU 93 10.115 -5.349 -5.169 694 HD11 LEU 93 HD11 LEU 93 10.796 -4.829 -7.408 695 HD12 LEU 93 HD12 LEU 93 10.029 -3.408 -6.701 696 HD13 LEU 93 HD13 LEU 93 9.141 -4.409 -7.855 697 HD21 LEU 93 HD21 LEU 93 7.864 -5.136 -4.373 698 HD22 LEU 93 HD22 LEU 93 7.299 -4.624 -5.962 699 HD23 LEU 93 HD23 LEU 93 8.370 -3.581 -5.029 700 H ARG 94 HN ARG 94 10.069 -9.541 -6.421 701 HA ARG 94 HA ARG 94 8.034 -10.933 -7.774 702 HB2 ARG 94 HB2 ARG 94 10.787 -11.788 -6.923 703 HB3 ARG 94 HB1 ARG 94 9.735 -12.764 -7.937 704 HG2 ARG 94 HG2 ARG 94 10.641 -9.981 -8.623 705 HG3 ARG 94 HG1 ARG 94 11.422 -11.452 -9.177 706 HD2 ARG 94 HD2 ARG 94 10.028 -10.825 -10.949 707 HD3 ARG 94 HD1 ARG 94 9.159 -12.116 -10.126 708 HE ARG 94 HE ARG 94 8.515 -9.344 -9.438 709 HH11 ARG 94 HH11 ARG 94 7.603 -12.319 -11.047 710 HH12 ARG 94 HH12 ARG 94 5.933 -11.879 -11.189 711 HH21 ARG 94 HH21 ARG 94 6.330 -8.743 -9.666 712 HH22 ARG 94 HH22 ARG 94 5.207 -9.838 -10.408 713 H LYS 95 HN LYS 95 9.364 -11.261 -4.543 714 HA LYS 95 HA LYS 95 8.041 -13.742 -4.001 715 HB2 LYS 95 HB2 LYS 95 9.420 -11.738 -2.227 716 HB3 LYS 95 HB1 LYS 95 8.649 -13.188 -1.596 717 HG2 LYS 95 HG2 LYS 95 10.125 -14.545 -3.052 718 HG3 LYS 95 HG1 LYS 95 10.952 -13.061 -3.530 719 HD2 LYS 95 HD2 LYS 95 11.682 -12.669 -1.282 720 HD3 LYS 95 HD1 LYS 95 10.692 -13.998 -0.676 721 HE2 LYS 95 HE2 LYS 95 12.998 -14.702 -0.807 722 HE3 LYS 95 HE1 LYS 95 12.044 -15.573 -2.004 723 HZ1 LYS 95 HZ1 LYS 95 13.897 -13.305 -2.477 724 HZ2 LYS 95 HZ2 LYS 95 12.828 -13.892 -3.649 725 HZ3 LYS 95 HZ3 LYS 95 14.040 -14.895 -3.038 726 H ILE 96 HN ILE 96 7.322 -10.361 -3.498 727 HA ILE 96 HA ILE 96 5.051 -10.670 -1.866 728 HB ILE 96 HB ILE 96 5.717 -8.498 -3.863 729 HG12 ILE 96 HG12 ILE 96 6.103 -8.586 -0.862 730 HG13 ILE 96 HG11 ILE 96 7.384 -8.793 -2.051 731 HG21 ILE 96 HG21 ILE 96 3.364 -8.470 -3.387 732 HG22 ILE 96 HG22 ILE 96 4.138 -7.122 -2.552 733 HG23 ILE 96 HG23 ILE 96 3.674 -8.567 -1.655 734 HD11 ILE 96 HD11 ILE 96 7.349 -6.540 -1.109 735 HD12 ILE 96 HD12 ILE 96 5.704 -6.320 -1.715 736 HD13 ILE 96 HD13 ILE 96 7.041 -6.531 -2.845 737 H ASP 97 HN ASP 97 5.379 -10.236 -5.375 738 HA ASP 97 HA ASP 97 4.012 -10.641 -7.128 739 HB2 ASP 97 HB2 ASP 97 4.228 -12.987 -6.280 740 HB3 ASP 97 HB1 ASP 97 2.728 -12.752 -5.387 741 H ALA 98 HN ALA 98 3.138 -8.538 -6.708 742 HA ALA 98 HA ALA 98 0.260 -8.585 -6.560 743 HB1 ALA 98 HB1 ALA 98 1.839 -6.995 -4.529 744 HB2 ALA 98 HB2 ALA 98 0.843 -8.406 -4.179 745 HB3 ALA 98 HB3 ALA 98 0.094 -6.922 -4.767 746 HA PRO 99 HA PRO 99 0.598 -5.314 -9.458 747 HB2 PRO 99 HB2 PRO 99 -1.182 -3.633 -7.786 748 HB3 PRO 99 HB1 PRO 99 -1.355 -4.116 -9.473 749 HG2 PRO 99 HG2 PRO 99 -2.858 -5.251 -7.615 750 HG3 PRO 99 HG1 PRO 99 -2.153 -6.222 -8.917 751 HD2 PRO 99 HD2 PRO 99 -1.261 -5.950 -6.076 752 HD3 PRO 99 HD1 PRO 99 -1.372 -7.408 -7.087 753 H VAL 100 HN VAL 100 1.990 -3.750 -9.851 754 HA VAL 100 HA VAL 100 3.092 -2.241 -7.579 755 HB VAL 100 HB VAL 100 4.563 -3.103 -10.079 756 HG11 VAL 100 HG11 VAL 100 5.541 -1.794 -7.547 757 HG12 VAL 100 HG12 VAL 100 5.445 -1.053 -9.146 758 HG13 VAL 100 HG13 VAL 100 6.567 -2.383 -8.855 759 HG21 VAL 100 HG21 VAL 100 4.028 -5.031 -8.685 760 HG22 VAL 100 HG22 VAL 100 4.734 -4.225 -7.286 761 HG23 VAL 100 HG23 VAL 100 5.756 -4.682 -8.646 762 H MET 101 HN MET 101 3.074 -0.093 -7.734 763 HA MET 101 HA MET 101 2.616 1.144 -10.371 764 HB2 MET 101 HB2 MET 101 1.831 2.070 -7.603 765 HB3 MET 101 HB1 MET 101 1.857 3.158 -8.983 766 HG2 MET 101 HG2 MET 101 0.255 0.622 -8.932 767 HG3 MET 101 HG1 MET 101 -0.376 2.167 -8.372 768 HE1 MET 101 HE1 MET 101 0.576 4.329 -10.241 769 HE2 MET 101 HE2 MET 101 -1.153 4.116 -9.946 770 HE3 MET 101 HE3 MET 101 -0.555 4.295 -11.595 771 H ALA 102 HN ALA 102 4.523 1.732 -11.131 772 HA ALA 102 HA ALA 102 6.834 2.082 -9.552 773 HB1 ALA 102 HB1 ALA 102 6.364 2.964 -12.396 774 HB2 ALA 102 HB2 ALA 102 6.855 1.345 -11.904 775 HB3 ALA 102 HB3 ALA 102 7.926 2.717 -11.615 776 H LYS 103 HN LYS 103 7.948 3.901 -8.939 777 HA LYS 103 HA LYS 103 6.480 6.419 -8.965 778 HB2 LYS 103 HB2 LYS 103 9.040 5.574 -7.597 779 HB3 LYS 103 HB1 LYS 103 8.418 7.214 -7.541 780 HG2 LYS 103 HG2 LYS 103 6.362 6.373 -6.477 781 HG3 LYS 103 HG1 LYS 103 7.051 4.750 -6.483 782 HD2 LYS 103 HD2 LYS 103 8.760 5.367 -4.965 783 HD3 LYS 103 HD1 LYS 103 8.417 7.086 -5.165 784 HE2 LYS 103 HE2 LYS 103 6.294 6.838 -4.045 785 HE3 LYS 103 HE1 LYS 103 6.501 5.090 -3.962 786 HZ1 LYS 103 HZ1 LYS 103 8.260 5.320 -2.425 787 HZ2 LYS 103 HZ2 LYS 103 7.017 6.328 -1.861 788 HZ3 LYS 103 HZ3 LYS 103 8.358 6.996 -2.656 789 HA PRO 104 HA PRO 104 6.932 8.606 -8.812 790 HB2 PRO 104 HB2 PRO 104 6.185 10.528 -10.520 791 HB3 PRO 104 HB1 PRO 104 7.767 10.547 -9.743 792 HG2 PRO 104 HG2 PRO 104 7.002 9.641 -12.494 793 HG3 PRO 104 HG1 PRO 104 8.371 10.652 -11.992 794 HD2 PRO 104 HD2 PRO 104 8.609 8.007 -12.495 795 HD3 PRO 104 HD1 PRO 104 9.604 8.854 -11.300 796 H ALA 105 HN ALA 105 4.695 8.918 -8.647 797 HA ALA 105 HA ALA 105 2.942 8.133 -10.819 798 HB1 ALA 105 HB1 ALA 105 2.921 6.623 -8.197 799 HB2 ALA 105 HB2 ALA 105 3.466 5.977 -9.749 800 HB3 ALA 105 HB3 ALA 105 1.771 6.423 -9.527 801 H ASP 106 HN ASP 106 1.087 9.281 -10.717 802 HA ASP 106 HA ASP 106 0.650 11.118 -8.567 803 HB2 ASP 106 HB2 ASP 106 -0.128 11.528 -10.933 804 HB3 ASP 106 HB1 ASP 106 -1.343 10.276 -10.691 805 H THR 107 HN THR 107 -0.564 10.869 -6.803 806 HA THR 107 HA THR 107 -0.896 8.223 -5.926 807 HB THR 107 HB THR 107 -1.905 9.296 -3.896 808 HG1 THR 107 HG1 THR 107 -2.169 11.449 -3.840 809 HG21 THR 107 HG21 THR 107 0.725 10.409 -4.882 810 HG22 THR 107 HG22 THR 107 0.499 8.824 -4.138 811 HG23 THR 107 HG23 THR 107 0.214 10.287 -3.198 812 H SER 108 HN SER 108 -3.094 10.309 -7.589 813 HA SER 108 HA SER 108 -5.473 9.052 -6.630 814 HB2 SER 108 HB2 SER 108 -6.577 10.108 -8.584 815 HB3 SER 108 HB1 SER 108 -5.608 11.256 -7.662 816 HG SER 108 HG SER 108 -4.014 11.155 -9.229 817 H ASP 109 HN ASP 109 -3.284 8.509 -9.349 818 HA ASP 109 HA ASP 109 -4.706 6.410 -10.597 819 HB2 ASP 109 HB2 ASP 109 -1.769 7.094 -10.488 820 HB3 ASP 109 HB1 ASP 109 -2.368 5.703 -11.382 821 H VAL 110 HN VAL 110 -2.215 6.464 -8.133 822 HA VAL 110 HA VAL 110 -1.971 3.702 -7.751 823 HB VAL 110 HB VAL 110 -1.596 5.794 -5.610 824 HG11 VAL 110 HG11 VAL 110 -1.493 3.439 -4.908 825 HG12 VAL 110 HG12 VAL 110 0.054 4.268 -4.729 826 HG13 VAL 110 HG13 VAL 110 -0.205 3.164 -6.081 827 HG21 VAL 110 HG21 VAL 110 0.345 4.957 -7.762 828 HG22 VAL 110 HG22 VAL 110 0.708 6.023 -6.405 829 HG23 VAL 110 HG23 VAL 110 -0.454 6.526 -7.635 830 H ALA 111 HN ALA 111 -3.983 6.134 -6.145 831 HA ALA 111 HA ALA 111 -5.149 4.471 -4.208 832 HB1 ALA 111 HB1 ALA 111 -6.811 6.227 -3.949 833 HB2 ALA 111 HB2 ALA 111 -6.297 6.956 -5.470 834 HB3 ALA 111 HB3 ALA 111 -5.195 6.917 -4.094 835 H LYS 112 HN LYS 112 -6.342 5.489 -7.388 836 HA LYS 112 HA LYS 112 -8.814 4.192 -7.262 837 HB2 LYS 112 HB2 LYS 112 -7.090 5.001 -9.602 838 HB3 LYS 112 HB1 LYS 112 -8.704 4.322 -9.794 839 HG2 LYS 112 HG2 LYS 112 -9.705 6.161 -8.680 840 HG3 LYS 112 HG1 LYS 112 -8.139 6.773 -8.149 841 HD2 LYS 112 HD2 LYS 112 -8.981 8.089 -10.007 842 HD3 LYS 112 HD1 LYS 112 -7.526 7.211 -10.482 843 HE2 LYS 112 HE2 LYS 112 -9.185 7.106 -12.246 844 HE3 LYS 112 HE1 LYS 112 -8.924 5.504 -11.559 845 HZ1 LYS 112 HZ1 LYS 112 -10.941 5.754 -10.274 846 HZ2 LYS 112 HZ2 LYS 112 -11.272 5.972 -11.914 847 HZ3 LYS 112 HZ3 LYS 112 -11.182 7.311 -10.887 848 H ARG 113 HN ARG 113 -5.688 3.045 -8.495 849 HA ARG 113 HA ARG 113 -6.680 0.567 -9.446 850 HB2 ARG 113 HB2 ARG 113 -3.892 1.408 -8.685 851 HB3 ARG 113 HB1 ARG 113 -4.288 -0.128 -9.446 852 HG2 ARG 113 HG2 ARG 113 -4.713 2.613 -10.606 853 HG3 ARG 113 HG1 ARG 113 -3.524 1.417 -11.101 854 HD2 ARG 113 HD2 ARG 113 -5.327 -0.107 -11.756 855 HD3 ARG 113 HD1 ARG 113 -6.511 1.110 -11.283 856 HE ARG 113 HE ARG 113 -4.530 1.740 -13.351 857 HH11 ARG 113 HH11 ARG 113 -7.866 1.199 -12.400 858 HH12 ARG 113 HH12 ARG 113 -8.511 1.849 -13.880 859 HH21 ARG 113 HH21 ARG 113 -5.390 2.574 -15.294 860 HH22 ARG 113 HH22 ARG 113 -7.112 2.628 -15.516 861 H ALA 114 HN ALA 114 -5.518 1.650 -6.335 862 HA ALA 114 HA ALA 114 -5.278 -0.969 -5.210 863 HB1 ALA 114 HB1 ALA 114 -5.153 0.276 -3.040 864 HB2 ALA 114 HB2 ALA 114 -5.413 1.765 -3.951 865 HB3 ALA 114 HB3 ALA 114 -3.972 0.794 -4.246 866 H LEU 115 HN LEU 115 -7.699 1.628 -4.992 867 HA LEU 115 HA LEU 115 -9.411 0.251 -3.233 868 HB2 LEU 115 HB2 LEU 115 -9.877 2.549 -5.099 869 HB3 LEU 115 HB1 LEU 115 -11.100 1.942 -3.998 870 HG LEU 115 HG LEU 115 -8.424 3.085 -3.205 871 HD11 LEU 115 HD11 LEU 115 -11.219 4.145 -2.936 872 HD12 LEU 115 HD12 LEU 115 -9.950 4.775 -3.987 873 HD13 LEU 115 HD13 LEU 115 -9.777 4.876 -2.235 874 HD21 LEU 115 HD21 LEU 115 -10.699 2.027 -1.534 875 HD22 LEU 115 HD22 LEU 115 -9.313 2.918 -0.909 876 HD23 LEU 115 HD23 LEU 115 -9.080 1.345 -1.667 877 H GLU 116 HN GLU 116 -9.208 0.253 -6.754 878 HA GLU 116 HA GLU 116 -11.742 -0.975 -7.136 879 HB2 GLU 116 HB2 GLU 116 -11.000 -1.449 -9.408 880 HB3 GLU 116 HB1 GLU 116 -10.664 0.204 -8.957 881 HG2 GLU 116 HG2 GLU 116 -8.354 -0.312 -8.597 882 HG3 GLU 116 HG1 GLU 116 -8.682 -2.000 -8.948 883 H MET 117 HN MET 117 -8.629 -2.194 -6.263 884 HA MET 117 HA MET 117 -9.272 -4.929 -6.791 885 HB2 MET 117 HB2 MET 117 -7.145 -3.687 -5.048 886 HB3 MET 117 HB1 MET 117 -7.280 -5.403 -5.378 887 HG2 MET 117 HG2 MET 117 -7.116 -4.775 -7.837 888 HG3 MET 117 HG1 MET 117 -6.599 -3.191 -7.271 889 HE1 MET 117 HE1 MET 117 -4.526 -2.863 -5.622 890 HE2 MET 117 HE2 MET 117 -3.342 -4.118 -5.260 891 HE3 MET 117 HE3 MET 117 -4.959 -4.204 -4.559 892 H CYS 118 HN CYS 118 -10.069 -2.683 -4.361 893 HA CYS 118 HA CYS 118 -10.817 -4.729 -2.425 894 HB2 CYS 118 HB2 CYS 118 -9.892 -2.660 -1.536 895 HB3 CYS 118 HB1 CYS 118 -11.103 -1.714 -2.393 896 HG CYS 118 HG CYS 118 -13.162 -2.198 -0.780 897 H GLY 119 HN GLY 119 -12.302 -2.322 -4.539 898 HA2 GLY 119 HA2 GLY 119 -14.757 -3.953 -4.506 899 HA3 GLY 119 HA1 GLY 119 -14.838 -2.200 -4.389 900 H GLY 120 HN GLY 120 -14.917 -1.043 -6.221 901 HA2 GLY 120 HA2 GLY 120 -14.440 -0.452 -8.411 902 HA3 GLY 120 HA1 GLY 120 -13.612 -1.985 -8.619 903 H ASP 121 HN ASP 121 -15.958 -3.497 -7.643 904 HA ASP 121 HA ASP 121 -17.822 -4.524 -8.431 905 HB2 ASP 121 HB2 ASP 121 -18.782 -2.214 -8.428 906 HB3 ASP 121 HB1 ASP 121 -18.251 -2.025 -10.092 907 H LYS 122 HN LYS 122 -15.135 -4.417 -9.827 908 HA LYS 122 HA LYS 122 -15.784 -6.083 -12.050 909 HB2 LYS 122 HB2 LYS 122 -16.261 -3.862 -13.028 910 HB3 LYS 122 HB1 LYS 122 -14.625 -3.349 -12.643 911 HG2 LYS 122 HG2 LYS 122 -14.841 -3.935 -14.991 912 HG3 LYS 122 HG1 LYS 122 -13.729 -5.028 -14.164 913 HD2 LYS 122 HD2 LYS 122 -15.395 -6.746 -14.064 914 HD3 LYS 122 HD1 LYS 122 -16.636 -5.648 -14.669 915 HE2 LYS 122 HE2 LYS 122 -15.861 -7.156 -16.421 916 HE3 LYS 122 HE1 LYS 122 -15.466 -5.482 -16.797 917 HZ1 LYS 122 HZ1 LYS 122 -13.622 -6.934 -17.290 918 HZ2 LYS 122 HZ2 LYS 122 -13.590 -7.506 -15.700 919 HZ3 LYS 122 HZ3 LYS 122 -13.209 -5.893 -16.026 920 H GLU 123 HN GLU 123 -14.122 -7.418 -12.456 921 HA GLU 123 HA GLU 123 -11.499 -6.781 -11.300 922 HB2 GLU 123 HB2 GLU 123 -12.691 -9.416 -12.183 923 HB3 GLU 123 HB1 GLU 123 -11.048 -9.219 -11.594 924 HG2 GLU 123 HG2 GLU 123 -13.553 -8.656 -10.032 925 HG3 GLU 123 HG1 GLU 123 -12.525 -10.079 -9.867 926 HA PRO 124 HA PRO 124 -10.003 -6.230 -15.450 927 HB2 PRO 124 HB2 PRO 124 -7.351 -6.240 -14.939 928 HB3 PRO 124 HB1 PRO 124 -8.392 -4.877 -14.516 929 HG2 PRO 124 HG2 PRO 124 -7.342 -7.072 -12.779 930 HG3 PRO 124 HG1 PRO 124 -7.499 -5.343 -12.426 931 HD2 PRO 124 HD2 PRO 124 -9.270 -7.229 -11.551 932 HD3 PRO 124 HD1 PRO 124 -9.708 -5.536 -11.852 933 H ALA 125 HN ALA 125 -9.787 -7.674 -17.037 934 HA ALA 125 HA ALA 125 -8.062 -9.988 -16.693 935 HB1 ALA 125 HB1 ALA 125 -10.979 -10.291 -17.405 936 HB2 ALA 125 HB2 ALA 125 -10.228 -10.788 -15.890 937 HB3 ALA 125 HB3 ALA 125 -9.776 -11.580 -17.399 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 -26.134 -4.295 3.623 2 H2 GLY 1 HT2 GLY 1 -25.449 -4.604 5.137 3 H3 GLY 1 HT3 GLY 1 -24.557 -4.893 3.733 4 HA2 GLY 1 HA1 GLY 1 -24.544 -2.540 3.216 5 HA3 GLY 1 HA2 GLY 1 -25.474 -2.238 4.677 6 H ALA 2 HN ALA 2 -24.274 -1.425 6.228 7 HA ALA 2 HA ALA 2 -22.568 -0.993 7.651 8 HB1 ALA 2 HB1 ALA 2 -21.101 -2.818 8.315 9 HB2 ALA 2 HB2 ALA 2 -21.619 -3.760 6.919 10 HB3 ALA 2 HB3 ALA 2 -22.770 -3.370 8.196 11 H MET 3 HN MET 3 -22.328 -0.170 4.915 12 HA MET 3 HA MET 3 -19.464 -0.385 4.382 13 HB2 MET 3 HB2 MET 3 -21.671 0.921 2.781 14 HB3 MET 3 HB1 MET 3 -19.986 0.835 2.291 15 HG2 MET 3 HG2 MET 3 -20.162 -1.640 2.331 16 HG3 MET 3 HG1 MET 3 -21.887 -1.464 2.649 17 HE1 MET 3 HE1 MET 3 -23.552 -0.192 0.970 18 HE2 MET 3 HE2 MET 3 -23.062 0.420 -0.611 19 HE3 MET 3 HE3 MET 3 -22.462 1.192 0.856 20 H GLY 4 HN GLY 4 -18.065 1.247 4.685 21 HA2 GLY 4 HA2 GLY 4 -18.935 3.972 5.007 22 HA3 GLY 4 HA1 GLY 4 -18.433 3.224 6.516 23 H MET 5 HN MET 5 -17.297 3.449 3.167 24 HA MET 5 HA MET 5 -15.337 3.973 2.229 25 HB2 MET 5 HB2 MET 5 -14.939 5.141 4.943 26 HB3 MET 5 HB1 MET 5 -13.678 5.205 3.724 27 HG2 MET 5 HG2 MET 5 -15.159 6.409 2.229 28 HG3 MET 5 HG1 MET 5 -16.456 6.305 3.418 29 HE1 MET 5 HE1 MET 5 -16.679 8.970 3.013 30 HE2 MET 5 HE2 MET 5 -15.272 8.946 1.952 31 HE3 MET 5 HE3 MET 5 -15.352 10.102 3.282 32 HA PRO 6 HA PRO 6 -12.891 0.333 3.014 33 HB2 PRO 6 HB2 PRO 6 -11.037 1.617 1.108 34 HB3 PRO 6 HB1 PRO 6 -11.806 0.031 1.032 35 HG2 PRO 6 HG2 PRO 6 -12.610 1.997 -0.554 36 HG3 PRO 6 HG1 PRO 6 -13.785 0.885 0.170 37 HD2 PRO 6 HD2 PRO 6 -13.043 3.667 1.003 38 HD3 PRO 6 HD1 PRO 6 -14.651 2.933 0.873 39 H LYS 7 HN LYS 7 -11.285 -0.112 4.399 40 HA LYS 7 HA LYS 7 -9.839 2.111 5.591 41 HB2 LYS 7 HB2 LYS 7 -10.957 0.234 6.892 42 HB3 LYS 7 HB1 LYS 7 -9.681 -0.820 6.306 43 HG2 LYS 7 HG2 LYS 7 -9.199 -0.074 8.548 44 HG3 LYS 7 HG1 LYS 7 -8.016 0.591 7.420 45 HD2 LYS 7 HD2 LYS 7 -9.052 2.737 7.476 46 HD3 LYS 7 HD1 LYS 7 -10.452 2.107 8.348 47 HE2 LYS 7 HE2 LYS 7 -9.070 1.654 10.289 48 HE3 LYS 7 HE1 LYS 7 -7.633 2.181 9.418 49 HZ1 LYS 7 HZ1 LYS 7 -8.565 3.863 10.952 50 HZ2 LYS 7 HZ2 LYS 7 -9.960 3.939 9.991 51 HZ3 LYS 7 HZ3 LYS 7 -8.461 4.398 9.353 52 H VAL 8 HN VAL 8 -8.108 2.765 4.511 53 HA VAL 8 HA VAL 8 -6.547 0.829 2.961 54 HB VAL 8 HB VAL 8 -6.504 3.850 2.868 55 HG11 VAL 8 HG11 VAL 8 -5.286 3.566 0.770 56 HG12 VAL 8 HG12 VAL 8 -5.299 1.816 0.994 57 HG13 VAL 8 HG13 VAL 8 -4.411 2.844 2.120 58 HG21 VAL 8 HG21 VAL 8 -7.842 1.897 0.996 59 HG22 VAL 8 HG22 VAL 8 -7.786 3.650 0.805 60 HG23 VAL 8 HG23 VAL 8 -8.666 2.938 2.159 61 H LEU 9 HN LEU 9 -4.480 0.375 3.425 62 HA LEU 9 HA LEU 9 -3.222 1.840 5.637 63 HB2 LEU 9 HB2 LEU 9 -3.595 -0.502 6.126 64 HB3 LEU 9 HB1 LEU 9 -2.792 -0.976 4.644 65 HG LEU 9 HG LEU 9 -0.660 -0.161 5.509 66 HD11 LEU 9 HD11 LEU 9 -1.565 1.673 6.878 67 HD12 LEU 9 HD12 LEU 9 -0.465 0.644 7.797 68 HD13 LEU 9 HD13 LEU 9 -2.209 0.490 8.016 69 HD21 LEU 9 HD21 LEU 9 -0.376 -1.790 7.325 70 HD22 LEU 9 HD22 LEU 9 -1.264 -2.463 5.958 71 HD23 LEU 9 HD23 LEU 9 -2.127 -1.976 7.416 72 H VAL 10 HN VAL 10 -1.818 3.300 4.931 73 HA VAL 10 HA VAL 10 -0.359 2.822 2.451 74 HB VAL 10 HB VAL 10 -0.711 5.282 4.156 75 HG11 VAL 10 HG11 VAL 10 1.063 5.005 1.726 76 HG12 VAL 10 HG12 VAL 10 1.629 5.204 3.384 77 HG13 VAL 10 HG13 VAL 10 0.719 6.497 2.603 78 HG21 VAL 10 HG21 VAL 10 -1.696 6.177 2.102 79 HG22 VAL 10 HG22 VAL 10 -2.520 4.707 2.625 80 HG23 VAL 10 HG23 VAL 10 -1.372 4.644 1.285 81 H LEU 11 HN LEU 11 1.544 1.982 2.452 82 HA LEU 11 HA LEU 11 3.314 2.264 4.776 83 HB2 LEU 11 HB2 LEU 11 2.885 0.172 2.816 84 HB3 LEU 11 HB1 LEU 11 4.571 0.658 2.849 85 HG LEU 11 HG LEU 11 4.269 -1.221 4.318 86 HD11 LEU 11 HD11 LEU 11 5.828 0.515 5.065 87 HD12 LEU 11 HD12 LEU 11 5.037 -0.259 6.438 88 HD13 LEU 11 HD13 LEU 11 4.522 1.345 5.912 89 HD21 LEU 11 HD21 LEU 11 1.818 -0.818 4.626 90 HD22 LEU 11 HD22 LEU 11 2.222 0.440 5.795 91 HD23 LEU 11 HD23 LEU 11 2.679 -1.232 6.104 92 H GLU 12 HN GLU 12 4.349 4.134 4.604 93 HA GLU 12 HA GLU 12 5.970 4.705 2.298 94 HB2 GLU 12 HB2 GLU 12 3.791 5.481 1.484 95 HB3 GLU 12 HB1 GLU 12 3.582 6.459 2.930 96 HG2 GLU 12 HG2 GLU 12 4.218 7.799 1.011 97 HG3 GLU 12 HG1 GLU 12 5.444 7.857 2.272 98 H ASP 13 HN ASP 13 7.778 5.491 3.130 99 HA ASP 13 HA ASP 13 7.723 6.687 5.777 100 HB2 ASP 13 HB2 ASP 13 9.432 4.994 5.301 101 HB3 ASP 13 HB1 ASP 13 10.068 5.989 4.003 102 H GLU 14 HN GLU 14 7.804 7.673 2.496 103 HA GLU 14 HA GLU 14 8.846 10.322 3.066 104 HB2 GLU 14 HB2 GLU 14 7.436 9.243 0.606 105 HB3 GLU 14 HB1 GLU 14 8.160 10.836 0.736 106 HG2 GLU 14 HG2 GLU 14 10.359 9.764 1.085 107 HG3 GLU 14 HG1 GLU 14 9.598 8.195 0.824 108 HA PRO 15 HA PRO 15 4.830 11.177 4.920 109 HB2 PRO 15 HB2 PRO 15 6.001 13.859 5.208 110 HB3 PRO 15 HB1 PRO 15 5.274 12.812 6.424 111 HG2 PRO 15 HG2 PRO 15 7.915 13.153 6.343 112 HG3 PRO 15 HG1 PRO 15 7.214 11.562 6.698 113 HD2 PRO 15 HD2 PRO 15 8.396 12.583 4.145 114 HD3 PRO 15 HD1 PRO 15 8.572 10.991 4.913 115 H LEU 16 HN LEU 16 6.380 13.127 2.435 116 HA LEU 16 HA LEU 16 4.123 14.743 1.851 117 HB2 LEU 16 HB2 LEU 16 6.711 14.751 1.076 118 HB3 LEU 16 HB1 LEU 16 5.975 14.026 -0.339 119 HG LEU 16 HG LEU 16 5.297 16.721 0.830 120 HD11 LEU 16 HD11 LEU 16 7.450 16.671 -0.300 121 HD12 LEU 16 HD12 LEU 16 6.270 17.603 -1.220 122 HD13 LEU 16 HD13 LEU 16 6.690 15.966 -1.728 123 HD21 LEU 16 HD21 LEU 16 3.327 15.685 -0.139 124 HD22 LEU 16 HD22 LEU 16 4.219 15.364 -1.626 125 HD23 LEU 16 HD23 LEU 16 3.891 17.026 -1.137 126 H ILE 17 HN ILE 17 5.440 11.841 0.283 127 HA ILE 17 HA ILE 17 3.309 11.429 -1.515 128 HB ILE 17 HB ILE 17 5.331 9.502 -0.346 129 HG12 ILE 17 HG12 ILE 17 6.197 9.577 -2.733 130 HG13 ILE 17 HG11 ILE 17 5.125 10.944 -2.985 131 HG21 ILE 17 HG21 ILE 17 3.254 9.012 -2.469 132 HG22 ILE 17 HG22 ILE 17 3.458 8.163 -0.933 133 HG23 ILE 17 HG23 ILE 17 4.659 7.978 -2.212 134 HD11 ILE 17 HD11 ILE 17 7.397 10.809 -1.026 135 HD12 ILE 17 HD12 ILE 17 6.318 12.185 -1.254 136 HD13 ILE 17 HD13 ILE 17 7.386 11.675 -2.561 137 H ALA 18 HN ALA 18 3.979 10.181 1.721 138 HA ALA 18 HA ALA 18 1.830 8.415 1.968 139 HB1 ALA 18 HB1 ALA 18 2.123 8.609 4.367 140 HB2 ALA 18 HB2 ALA 18 3.053 10.094 4.159 141 HB3 ALA 18 HB3 ALA 18 3.695 8.561 3.569 142 H MET 19 HN MET 19 2.037 11.842 2.828 143 HA MET 19 HA MET 19 -0.600 12.174 3.691 144 HB2 MET 19 HB2 MET 19 1.199 13.730 4.200 145 HB3 MET 19 HB1 MET 19 1.369 14.114 2.494 146 HG2 MET 19 HG2 MET 19 -0.904 15.018 2.503 147 HG3 MET 19 HG1 MET 19 -0.993 14.716 4.235 148 HE1 MET 19 HE1 MET 19 0.785 16.689 1.378 149 HE2 MET 19 HE2 MET 19 2.166 15.962 2.198 150 HE3 MET 19 HE3 MET 19 1.920 17.707 2.265 151 H ASN 20 HN ASN 20 0.917 12.469 0.524 152 HA ASN 20 HA ASN 20 -1.287 13.573 -0.820 153 HB2 ASN 20 HB2 ASN 20 1.250 12.210 -1.597 154 HB3 ASN 20 HB1 ASN 20 0.028 12.469 -2.815 155 HD21 ASN 20 HD21 ASN 20 2.655 13.600 -2.668 156 HD22 ASN 20 HD22 ASN 20 2.469 15.316 -2.580 157 H LEU 21 HN LEU 21 -0.107 10.218 -0.572 158 HA LEU 21 HA LEU 21 -2.178 9.004 -2.002 159 HB2 LEU 21 HB2 LEU 21 -0.407 8.058 0.232 160 HB3 LEU 21 HB1 LEU 21 -1.611 7.018 -0.485 161 HG LEU 21 HG LEU 21 0.561 8.342 -2.090 162 HD11 LEU 21 HD11 LEU 21 1.754 6.237 -2.009 163 HD12 LEU 21 HD12 LEU 21 0.532 5.559 -0.933 164 HD13 LEU 21 HD13 LEU 21 1.555 6.888 -0.383 165 HD21 LEU 21 HD21 LEU 21 -1.416 7.614 -3.318 166 HD22 LEU 21 HD22 LEU 21 -1.249 5.999 -2.631 167 HD23 LEU 21 HD23 LEU 21 -0.012 6.626 -3.721 168 H GLN 22 HN GLN 22 -1.844 9.756 1.432 169 HA GLN 22 HA GLN 22 -4.175 8.669 2.417 170 HB2 GLN 22 HB2 GLN 22 -2.378 9.709 3.763 171 HB3 GLN 22 HB1 GLN 22 -2.904 11.291 3.210 172 HG2 GLN 22 HG2 GLN 22 -5.123 10.814 4.267 173 HG3 GLN 22 HG1 GLN 22 -4.392 9.379 4.973 174 HE21 GLN 22 HE21 GLN 22 -2.869 9.590 6.588 175 HE22 GLN 22 HE22 GLN 22 -2.594 11.077 7.423 176 H TYR 23 HN TYR 23 -3.701 11.940 1.082 177 HA TYR 23 HA TYR 23 -6.431 12.669 1.304 178 HB2 TYR 23 HB2 TYR 23 -4.135 13.787 -0.286 179 HB3 TYR 23 HB1 TYR 23 -5.746 14.479 -0.345 180 HD1 TYR 23 HD2 TYR 23 -6.478 14.129 2.560 181 HD2 TYR 23 HD1 TYR 23 -2.920 15.552 0.713 182 HE1 TYR 23 HE2 TYR 23 -5.968 15.449 4.567 183 HE2 TYR 23 HE1 TYR 23 -2.398 16.870 2.719 184 HH TYR 23 HH TYR 23 -3.975 16.419 5.672 185 H ALA 24 HN ALA 24 -4.573 11.044 -1.158 186 HA ALA 24 HA ALA 24 -6.410 11.417 -3.295 187 HB1 ALA 24 HB1 ALA 24 -4.339 9.252 -2.931 188 HB2 ALA 24 HB2 ALA 24 -4.062 10.828 -3.673 189 HB3 ALA 24 HB3 ALA 24 -5.152 9.671 -4.439 190 H PHE 25 HN PHE 25 -5.906 8.817 -0.944 191 HA PHE 25 HA PHE 25 -7.967 7.151 -1.961 192 HB2 PHE 25 HB2 PHE 25 -6.436 7.241 0.618 193 HB3 PHE 25 HB1 PHE 25 -7.789 6.135 0.418 194 HD1 PHE 25 HD2 PHE 25 -7.695 4.370 -1.281 195 HD2 PHE 25 HD1 PHE 25 -4.337 6.833 -0.430 196 HE1 PHE 25 HE2 PHE 25 -6.228 2.745 -2.391 197 HE2 PHE 25 HE1 PHE 25 -2.861 5.212 -1.547 198 HZ PHE 25 HZ PHE 25 -3.805 3.164 -2.525 199 H GLU 26 HN GLU 26 -7.851 9.538 0.670 200 HA GLU 26 HA GLU 26 -10.512 9.199 1.518 201 HB2 GLU 26 HB2 GLU 26 -8.735 11.635 1.619 202 HB3 GLU 26 HB1 GLU 26 -10.298 11.527 2.415 203 HG2 GLU 26 HG2 GLU 26 -9.388 9.522 3.643 204 HG3 GLU 26 HG1 GLU 26 -7.805 9.960 2.999 205 H ASP 27 HN ASP 27 -9.083 11.013 -1.102 206 HA ASP 27 HA ASP 27 -11.360 12.502 -1.849 207 HB2 ASP 27 HB2 ASP 27 -9.123 13.047 -2.656 208 HB3 ASP 27 HB1 ASP 27 -9.067 11.527 -3.534 209 H GLU 28 HN GLU 28 -10.258 9.262 -2.626 210 HA GLU 28 HA GLU 28 -12.434 8.803 -4.480 211 HB2 GLU 28 HB2 GLU 28 -10.271 7.034 -3.354 212 HB3 GLU 28 HB1 GLU 28 -11.553 6.413 -4.380 213 HG2 GLU 28 HG2 GLU 28 -9.606 8.565 -5.158 214 HG3 GLU 28 HG1 GLU 28 -9.478 6.869 -5.605 215 H GLY 29 HN GLY 29 -12.434 9.200 -1.312 216 HA2 GLY 29 HA2 GLY 29 -14.170 8.829 0.169 217 HA3 GLY 29 HA1 GLY 29 -14.886 7.720 -0.990 218 H ALA 30 HN ALA 30 -11.818 7.832 0.837 219 HA ALA 30 HA ALA 30 -12.589 5.311 2.104 220 HB1 ALA 30 HB1 ALA 30 -9.916 5.775 0.783 221 HB2 ALA 30 HB2 ALA 30 -11.196 4.726 0.175 222 HB3 ALA 30 HB3 ALA 30 -10.389 4.340 1.696 223 H GLU 31 HN GLU 31 -10.973 4.746 3.886 224 HA GLU 31 HA GLU 31 -10.086 7.211 5.241 225 HB2 GLU 31 HB2 GLU 31 -11.965 6.153 6.408 226 HB3 GLU 31 HB1 GLU 31 -11.087 4.631 6.466 227 HG2 GLU 31 HG2 GLU 31 -9.476 5.528 7.965 228 HG3 GLU 31 HG1 GLU 31 -10.109 7.158 7.760 229 H VAL 32 HN VAL 32 -7.993 7.247 6.022 230 HA VAL 32 HA VAL 32 -6.356 5.018 4.987 231 HB VAL 32 HB VAL 32 -5.587 7.930 5.044 232 HG11 VAL 32 HG11 VAL 32 -3.739 6.264 5.085 233 HG12 VAL 32 HG12 VAL 32 -3.741 7.304 3.662 234 HG13 VAL 32 HG13 VAL 32 -4.326 5.643 3.541 235 HG21 VAL 32 HG21 VAL 32 -6.009 7.981 2.658 236 HG22 VAL 32 HG22 VAL 32 -7.480 7.553 3.531 237 HG23 VAL 32 HG23 VAL 32 -6.553 6.303 2.698 238 H VAL 33 HN VAL 33 -4.834 4.159 6.251 239 HA VAL 33 HA VAL 33 -4.000 5.594 8.688 240 HB VAL 33 HB VAL 33 -3.435 2.704 8.112 241 HG11 VAL 33 HG11 VAL 33 -3.532 4.301 10.659 242 HG12 VAL 33 HG12 VAL 33 -2.086 3.721 9.831 243 HG13 VAL 33 HG13 VAL 33 -3.209 2.570 10.556 244 HG21 VAL 33 HG21 VAL 33 -5.853 2.938 8.034 245 HG22 VAL 33 HG22 VAL 33 -5.831 3.765 9.591 246 HG23 VAL 33 HG23 VAL 33 -5.347 2.071 9.486 247 H VAL 34 HN VAL 34 -1.848 6.180 8.849 248 HA VAL 34 HA VAL 34 -0.172 5.476 6.536 249 HB VAL 34 HB VAL 34 0.147 7.790 8.459 250 HG11 VAL 34 HG11 VAL 34 1.858 8.587 6.897 251 HG12 VAL 34 HG12 VAL 34 1.662 7.121 5.935 252 HG13 VAL 34 HG13 VAL 34 2.291 7.019 7.579 253 HG21 VAL 34 HG21 VAL 34 -1.793 8.050 7.003 254 HG22 VAL 34 HG22 VAL 34 -0.784 7.740 5.589 255 HG23 VAL 34 HG23 VAL 34 -0.518 9.187 6.563 256 H ALA 35 HN ALA 35 1.530 4.212 6.804 257 HA ALA 35 HA ALA 35 2.798 4.063 9.448 258 HB1 ALA 35 HB1 ALA 35 2.352 1.641 7.708 259 HB2 ALA 35 HB2 ALA 35 1.301 2.087 9.053 260 HB3 ALA 35 HB3 ALA 35 2.995 1.695 9.352 261 H ALA 36 HN ALA 36 4.970 4.158 9.392 262 HA ALA 36 HA ALA 36 6.246 4.236 6.747 263 HB1 ALA 36 HB1 ALA 36 6.479 6.223 8.200 264 HB2 ALA 36 HB2 ALA 36 8.029 5.486 7.787 265 HB3 ALA 36 HB3 ALA 36 7.318 5.219 9.387 266 H THR 37 HN THR 37 5.779 2.159 9.267 267 HA THR 37 HA THR 37 8.220 0.659 8.623 268 HB THR 37 HB THR 37 8.391 -0.074 10.971 269 HG1 THR 37 HG1 THR 37 7.113 1.517 12.425 270 HG21 THR 37 HG21 THR 37 9.715 1.848 10.236 271 HG22 THR 37 HG22 THR 37 9.238 2.004 11.925 272 HG23 THR 37 HG23 THR 37 8.394 2.927 10.682 273 H CYS 38 HN CYS 38 8.008 -1.672 9.166 274 HA CYS 38 HA CYS 38 5.507 -2.699 8.312 275 HB2 CYS 38 HB2 CYS 38 7.836 -4.132 9.598 276 HB3 CYS 38 HB1 CYS 38 6.473 -4.916 8.816 277 HG CYS 38 HG CYS 38 8.853 -2.977 7.300 278 H GLU 39 HN GLU 39 6.988 -2.157 11.442 279 HA GLU 39 HA GLU 39 5.117 -3.650 12.946 280 HB2 GLU 39 HB2 GLU 39 6.868 -1.350 13.769 281 HB3 GLU 39 HB1 GLU 39 5.936 -2.335 14.885 282 HG2 GLU 39 HG2 GLU 39 7.195 -4.323 13.899 283 HG3 GLU 39 HG1 GLU 39 8.288 -3.123 13.211 284 H GLN 40 HN GLN 40 5.211 -0.213 11.971 285 HA GLN 40 HA GLN 40 2.844 0.547 13.283 286 HB2 GLN 40 HB2 GLN 40 4.275 1.541 10.851 287 HB3 GLN 40 HB1 GLN 40 2.713 2.200 11.282 288 HG2 GLN 40 HG2 GLN 40 3.676 2.759 13.516 289 HG3 GLN 40 HG1 GLN 40 5.245 2.292 12.865 290 HE21 GLN 40 HE21 GLN 40 6.266 3.598 11.401 291 HE22 GLN 40 HE22 GLN 40 5.734 5.209 11.047 292 H ALA 41 HN ALA 41 3.442 -1.029 10.235 293 HA ALA 41 HA ALA 41 0.819 -0.853 9.205 294 HB1 ALA 41 HB1 ALA 41 2.844 -2.978 8.578 295 HB2 ALA 41 HB2 ALA 41 2.924 -1.338 7.937 296 HB3 ALA 41 HB3 ALA 41 1.548 -2.372 7.546 297 H LEU 42 HN LEU 42 2.562 -3.544 10.760 298 HA LEU 42 HA LEU 42 0.430 -5.340 10.828 299 HB2 LEU 42 HB2 LEU 42 2.717 -5.092 12.784 300 HB3 LEU 42 HB1 LEU 42 1.712 -6.503 12.550 301 HG LEU 42 HG LEU 42 3.619 -5.338 10.527 302 HD11 LEU 42 HD11 LEU 42 3.745 -7.891 12.120 303 HD12 LEU 42 HD12 LEU 42 4.750 -6.462 12.360 304 HD13 LEU 42 HD13 LEU 42 4.885 -7.394 10.869 305 HD21 LEU 42 HD21 LEU 42 3.107 -7.360 9.210 306 HD22 LEU 42 HD22 LEU 42 1.719 -6.289 9.391 307 HD23 LEU 42 HD23 LEU 42 1.829 -7.760 10.359 308 H LYS 43 HN LYS 43 1.324 -2.723 13.010 309 HA LYS 43 HA LYS 43 -0.466 -3.358 15.094 310 HB2 LYS 43 HB2 LYS 43 1.398 -1.652 15.172 311 HB3 LYS 43 HB1 LYS 43 0.360 -0.580 14.245 312 HG2 LYS 43 HG2 LYS 43 -1.275 -0.555 16.015 313 HG3 LYS 43 HG1 LYS 43 -0.343 -1.739 16.931 314 HD2 LYS 43 HD2 LYS 43 0.125 0.376 17.890 315 HD3 LYS 43 HD1 LYS 43 1.547 -0.072 16.948 316 HE2 LYS 43 HE2 LYS 43 1.081 2.233 16.536 317 HE3 LYS 43 HE1 LYS 43 0.666 1.327 15.083 318 HZ1 LYS 43 HZ1 LYS 43 -1.660 1.412 15.739 319 HZ2 LYS 43 HZ2 LYS 43 -1.022 2.968 15.620 320 HZ3 LYS 43 HZ3 LYS 43 -1.259 2.270 17.139 321 H SER 44 HN SER 44 -0.802 -1.213 12.287 322 HA SER 44 HA SER 44 -3.474 -0.498 12.780 323 HB2 SER 44 HB2 SER 44 -2.054 -0.533 10.114 324 HB3 SER 44 HB1 SER 44 -3.382 0.494 10.617 325 HG SER 44 HG SER 44 -0.677 0.658 11.259 326 H LEU 45 HN LEU 45 -1.999 -3.228 11.213 327 HA LEU 45 HA LEU 45 -4.281 -4.144 9.801 328 HB2 LEU 45 HB2 LEU 45 -1.637 -5.228 10.580 329 HB3 LEU 45 HB1 LEU 45 -2.850 -6.344 10.017 330 HG LEU 45 HG LEU 45 -1.976 -3.933 8.438 331 HD11 LEU 45 HD11 LEU 45 -0.055 -5.373 8.747 332 HD12 LEU 45 HD12 LEU 45 -0.648 -5.504 7.092 333 HD13 LEU 45 HD13 LEU 45 -1.000 -6.778 8.259 334 HD21 LEU 45 HD21 LEU 45 -3.432 -6.445 7.632 335 HD22 LEU 45 HD22 LEU 45 -3.022 -5.087 6.585 336 HD23 LEU 45 HD23 LEU 45 -4.181 -4.871 7.894 337 H ALA 46 HN ALA 46 -2.956 -4.708 13.009 338 HA ALA 46 HA ALA 46 -4.942 -6.724 13.640 339 HB1 ALA 46 HB1 ALA 46 -2.669 -6.918 14.518 340 HB2 ALA 46 HB2 ALA 46 -3.850 -6.801 15.822 341 HB3 ALA 46 HB3 ALA 46 -2.874 -5.398 15.388 342 H ASP 47 HN ASP 47 -4.368 -3.330 14.207 343 HA ASP 47 HA ASP 47 -6.408 -3.098 16.229 344 HB2 ASP 47 HB2 ASP 47 -4.349 -1.725 16.267 345 HB3 ASP 47 HB1 ASP 47 -4.880 -0.941 14.788 346 H ASN 48 HN ASN 48 -6.177 -2.666 12.788 347 HA ASN 48 HA ASN 48 -8.998 -1.841 12.755 348 HB2 ASN 48 HB2 ASN 48 -6.828 -0.733 10.962 349 HB3 ASN 48 HB1 ASN 48 -8.534 -0.372 10.827 350 HD21 ASN 48 HD21 ASN 48 -5.632 0.200 12.546 351 HD22 ASN 48 HD22 ASN 48 -6.202 1.508 13.516 352 HA PRO 49 HA PRO 49 -9.201 -4.953 9.588 353 HB2 PRO 49 HB2 PRO 49 -11.660 -4.312 8.597 354 HB3 PRO 49 HB1 PRO 49 -11.408 -5.103 10.153 355 HG2 PRO 49 HG2 PRO 49 -12.378 -2.429 9.623 356 HG3 PRO 49 HG1 PRO 49 -12.266 -3.272 11.174 357 HD2 PRO 49 HD2 PRO 49 -10.451 -1.291 9.982 358 HD3 PRO 49 HD1 PRO 49 -10.594 -1.802 11.674 359 H ILE 50 HN ILE 50 -7.556 -4.256 8.178 360 HA ILE 50 HA ILE 50 -7.820 -2.103 6.375 361 HB ILE 50 HB ILE 50 -5.917 -4.444 6.399 362 HG12 ILE 50 HG12 ILE 50 -5.719 -3.046 8.363 363 HG13 ILE 50 HG11 ILE 50 -4.333 -2.785 7.317 364 HG21 ILE 50 HG21 ILE 50 -5.728 -1.883 4.840 365 HG22 ILE 50 HG22 ILE 50 -6.073 -3.475 4.167 366 HG23 ILE 50 HG23 ILE 50 -4.508 -3.153 4.915 367 HD11 ILE 50 HD11 ILE 50 -6.675 -0.972 7.783 368 HD12 ILE 50 HD12 ILE 50 -5.562 -0.759 6.431 369 HD13 ILE 50 HD13 ILE 50 -4.965 -0.664 8.091 370 H ASP 51 HN ASP 51 -8.901 -1.987 4.549 371 HA ASP 51 HA ASP 51 -9.967 -4.370 3.269 372 HB2 ASP 51 HB2 ASP 51 -10.325 -1.416 2.731 373 HB3 ASP 51 HB1 ASP 51 -10.998 -2.660 1.690 374 H VAL 52 HN VAL 52 -7.552 -1.891 2.747 375 HA VAL 52 HA VAL 52 -6.313 -3.407 0.637 376 HB VAL 52 HB VAL 52 -8.097 -2.202 -0.595 377 HG11 VAL 52 HG11 VAL 52 -8.407 -0.243 0.701 378 HG12 VAL 52 HG12 VAL 52 -7.815 0.271 -0.882 379 HG13 VAL 52 HG13 VAL 52 -6.720 0.231 0.498 380 HG21 VAL 52 HG21 VAL 52 -6.676 -1.212 -2.320 381 HG22 VAL 52 HG22 VAL 52 -6.032 -2.752 -1.743 382 HG23 VAL 52 HG23 VAL 52 -5.314 -1.237 -1.199 383 H ALA 53 HN ALA 53 -4.236 -2.419 -0.015 384 HA ALA 53 HA ALA 53 -3.287 -0.326 1.792 385 HB1 ALA 53 HB1 ALA 53 -2.840 -2.497 2.873 386 HB2 ALA 53 HB2 ALA 53 -1.370 -1.605 2.482 387 HB3 ALA 53 HB3 ALA 53 -1.872 -2.963 1.472 388 H VAL 54 HN VAL 54 -1.115 0.437 1.233 389 HA VAL 54 HA VAL 54 -0.254 -0.075 -1.523 390 HB VAL 54 HB VAL 54 0.250 2.641 -1.126 391 HG11 VAL 54 HG11 VAL 54 -1.444 2.909 -2.946 392 HG12 VAL 54 HG12 VAL 54 -1.818 1.191 -2.763 393 HG13 VAL 54 HG13 VAL 54 -0.195 1.699 -3.259 394 HG21 VAL 54 HG21 VAL 54 -2.618 2.044 -0.418 395 HG22 VAL 54 HG22 VAL 54 -1.917 3.640 -0.681 396 HG23 VAL 54 HG23 VAL 54 -1.396 2.663 0.691 397 H LEU 55 HN LEU 55 1.824 -0.674 -1.383 398 HA LEU 55 HA LEU 55 3.261 0.110 1.063 399 HB2 LEU 55 HB2 LEU 55 3.094 -2.468 -0.439 400 HB3 LEU 55 HB1 LEU 55 4.504 -2.123 0.537 401 HG LEU 55 HG LEU 55 3.114 -1.992 2.544 402 HD11 LEU 55 HD11 LEU 55 0.817 -2.690 0.729 403 HD12 LEU 55 HD12 LEU 55 1.051 -1.152 1.561 404 HD13 LEU 55 HD13 LEU 55 0.766 -2.627 2.491 405 HD21 LEU 55 HD21 LEU 55 2.717 -4.459 0.869 406 HD22 LEU 55 HD22 LEU 55 2.371 -4.362 2.597 407 HD23 LEU 55 HD23 LEU 55 4.018 -4.138 2.014 408 H ASP 56 HN ASP 56 4.970 1.415 0.722 409 HA ASP 56 HA ASP 56 6.428 1.305 -1.766 410 HB2 ASP 56 HB2 ASP 56 6.273 3.430 -0.447 411 HB3 ASP 56 HB1 ASP 56 7.266 2.681 0.799 412 H VAL 57 HN VAL 57 7.543 -0.368 -2.173 413 HA VAL 57 HA VAL 57 8.539 -2.282 -0.454 414 HB VAL 57 HB VAL 57 9.653 -1.605 -3.177 415 HG11 VAL 57 HG11 VAL 57 10.107 -3.978 -3.327 416 HG12 VAL 57 HG12 VAL 57 9.430 -4.223 -1.716 417 HG13 VAL 57 HG13 VAL 57 10.908 -3.279 -1.919 418 HG21 VAL 57 HG21 VAL 57 7.234 -1.687 -3.305 419 HG22 VAL 57 HG22 VAL 57 7.223 -3.242 -2.472 420 HG23 VAL 57 HG23 VAL 57 7.937 -3.107 -4.078 421 H ASN 58 HN ASN 58 9.833 0.836 -1.176 422 HA ASN 58 HA ASN 58 12.340 0.055 0.171 423 HB2 ASN 58 HB2 ASN 58 12.662 0.565 -2.274 424 HB3 ASN 58 HB1 ASN 58 12.130 2.210 -1.941 425 HD21 ASN 58 HD21 ASN 58 13.476 3.591 -0.804 426 HD22 ASN 58 HD22 ASN 58 15.143 3.231 -0.518 427 H LEU 59 HN LEU 59 11.252 0.642 2.117 428 HA LEU 59 HA LEU 59 10.356 3.321 2.577 429 HB2 LEU 59 HB2 LEU 59 11.112 1.185 4.578 430 HB3 LEU 59 HB1 LEU 59 10.186 2.635 4.915 431 HG LEU 59 HG LEU 59 9.262 0.431 3.071 432 HD11 LEU 59 HD11 LEU 59 9.484 -0.340 5.401 433 HD12 LEU 59 HD12 LEU 59 7.806 -0.281 4.862 434 HD13 LEU 59 HD13 LEU 59 8.439 0.983 5.918 435 HD21 LEU 59 HD21 LEU 59 7.098 1.520 3.247 436 HD22 LEU 59 HD22 LEU 59 8.305 2.638 2.611 437 HD23 LEU 59 HD23 LEU 59 7.788 2.761 4.292 438 H GLY 60 HN GLY 60 13.326 1.539 2.968 439 HA2 GLY 60 HA2 GLY 60 14.856 3.958 3.193 440 HA3 GLY 60 HA1 GLY 60 14.817 3.039 4.693 441 HA PRO 61 HA PRO 61 18.379 1.560 2.048 442 HB2 PRO 61 HB2 PRO 61 20.043 1.251 4.149 443 HB3 PRO 61 HB1 PRO 61 19.925 2.720 3.188 444 HG2 PRO 61 HG2 PRO 61 18.564 2.066 5.759 445 HG3 PRO 61 HG1 PRO 61 19.441 3.545 5.314 446 HD2 PRO 61 HD2 PRO 61 16.819 3.491 5.172 447 HD3 PRO 61 HD1 PRO 61 17.725 4.248 3.865 448 H LYS 62 HN LYS 62 17.221 0.439 5.189 449 HA LYS 62 HA LYS 62 17.457 -2.323 4.188 450 HB2 LYS 62 HB2 LYS 62 18.779 -1.846 6.235 451 HB3 LYS 62 HB1 LYS 62 17.306 -1.362 7.059 452 HG2 LYS 62 HG2 LYS 62 17.528 -4.102 5.887 453 HG3 LYS 62 HG1 LYS 62 18.284 -3.734 7.436 454 HD2 LYS 62 HD2 LYS 62 16.159 -3.100 8.378 455 HD3 LYS 62 HD1 LYS 62 15.370 -3.260 6.808 456 HE2 LYS 62 HE2 LYS 62 15.857 -5.655 6.809 457 HE3 LYS 62 HE1 LYS 62 16.658 -5.497 8.370 458 HZ1 LYS 62 HZ1 LYS 62 14.398 -6.313 8.606 459 HZ2 LYS 62 HZ2 LYS 62 13.790 -4.934 7.841 460 HZ3 LYS 62 HZ3 LYS 62 14.562 -4.797 9.337 461 H SER 63 HN SER 63 15.385 0.091 5.609 462 HA SER 63 HA SER 63 13.222 -1.544 6.301 463 HB2 SER 63 HB2 SER 63 13.146 1.373 5.522 464 HB3 SER 63 HB1 SER 63 11.967 0.502 6.501 465 HG SER 63 HG SER 63 13.272 0.565 8.180 466 H HIS 64 HN HIS 64 11.772 -2.524 5.148 467 HA HIS 64 HA HIS 64 10.946 -1.495 2.549 468 HB2 HIS 64 HB2 HIS 64 11.190 -3.725 1.487 469 HB3 HIS 64 HB1 HIS 64 12.744 -3.055 1.965 470 HD1 HIS 64 HD1 HIS 64 10.176 -5.505 3.354 471 HD2 HIS 64 HD2 HIS 64 14.264 -4.810 3.359 472 HE1 HIS 64 HE1 HIS 64 11.177 -7.419 4.624 473 HE2 HIS 64 HE2 HIS 64 13.669 -7.039 4.518 474 H CYS 65 HN CYS 65 8.808 -2.124 2.009 475 HA CYS 65 HA CYS 65 7.178 -3.144 4.096 476 HB2 CYS 65 HB2 CYS 65 5.390 -3.021 2.479 477 HB3 CYS 65 HB1 CYS 65 6.408 -1.599 2.304 478 HG CYS 65 HG CYS 65 6.981 -4.269 0.325 479 H GLY 66 HN GLY 66 8.164 -5.152 4.682 480 HA2 GLY 66 HA2 GLY 66 7.912 -7.278 2.639 481 HA3 GLY 66 HA1 GLY 66 9.077 -7.306 3.953 482 HA PRO 67 HA PRO 67 6.330 -9.459 6.721 483 HB2 PRO 67 HB2 PRO 67 6.328 -7.088 8.499 484 HB3 PRO 67 HB1 PRO 67 6.703 -8.768 8.864 485 HG2 PRO 67 HG2 PRO 67 8.622 -6.913 8.649 486 HG3 PRO 67 HG1 PRO 67 8.869 -8.595 8.150 487 HD2 PRO 67 HD2 PRO 67 8.500 -6.170 6.493 488 HD3 PRO 67 HD1 PRO 67 9.373 -7.670 6.142 489 H VAL 68 HN VAL 68 5.634 -6.160 5.823 490 HA VAL 68 HA VAL 68 2.882 -6.149 6.579 491 HB VAL 68 HB VAL 68 4.115 -4.494 4.377 492 HG11 VAL 68 HG11 VAL 68 2.394 -2.885 4.965 493 HG12 VAL 68 HG12 VAL 68 1.811 -3.951 6.246 494 HG13 VAL 68 HG13 VAL 68 1.676 -4.446 4.558 495 HG21 VAL 68 HG21 VAL 68 4.147 -3.970 7.348 496 HG22 VAL 68 HG22 VAL 68 4.582 -2.793 6.108 497 HG23 VAL 68 HG23 VAL 68 5.545 -4.258 6.311 498 H ALA 69 HN ALA 69 4.645 -6.753 3.589 499 HA ALA 69 HA ALA 69 2.454 -7.079 1.875 500 HB1 ALA 69 HB1 ALA 69 4.701 -6.751 1.035 501 HB2 ALA 69 HB2 ALA 69 4.055 -8.277 0.426 502 HB3 ALA 69 HB3 ALA 69 5.219 -8.278 1.753 503 H ASP 70 HN ASP 70 4.407 -9.455 3.645 504 HA ASP 70 HA ASP 70 2.895 -11.726 2.942 505 HB2 ASP 70 HB2 ASP 70 4.598 -11.148 5.382 506 HB3 ASP 70 HB1 ASP 70 3.876 -12.720 5.060 507 H ALA 71 HN ALA 71 2.615 -9.426 5.611 508 HA ALA 71 HA ALA 71 0.632 -10.674 7.115 509 HB1 ALA 71 HB1 ALA 71 0.933 -7.717 6.660 510 HB2 ALA 71 HB2 ALA 71 1.908 -8.668 7.783 511 HB3 ALA 71 HB3 ALA 71 0.168 -8.510 8.040 512 H LEU 72 HN LEU 72 0.301 -8.300 4.504 513 HA LEU 72 HA LEU 72 -2.509 -8.300 4.398 514 HB2 LEU 72 HB2 LEU 72 -0.433 -7.650 2.319 515 HB3 LEU 72 HB1 LEU 72 -2.147 -7.330 2.127 516 HG LEU 72 HG LEU 72 -0.440 -6.159 4.322 517 HD11 LEU 72 HD11 LEU 72 0.276 -5.345 2.173 518 HD12 LEU 72 HD12 LEU 72 -0.586 -4.086 3.066 519 HD13 LEU 72 HD13 LEU 72 -1.392 -4.945 1.745 520 HD21 LEU 72 HD21 LEU 72 -3.256 -5.602 3.400 521 HD22 LEU 72 HD22 LEU 72 -2.370 -4.648 4.594 522 HD23 LEU 72 HD23 LEU 72 -2.774 -6.333 4.931 523 H LYS 73 HN LYS 73 -0.054 -10.104 2.638 524 HA LYS 73 HA LYS 73 -1.736 -11.555 0.940 525 HB2 LYS 73 HB2 LYS 73 1.002 -11.981 2.047 526 HB3 LYS 73 HB1 LYS 73 0.257 -13.221 1.062 527 HG2 LYS 73 HG2 LYS 73 0.829 -10.377 0.263 528 HG3 LYS 73 HG1 LYS 73 1.664 -11.822 -0.291 529 HD2 LYS 73 HD2 LYS 73 -0.386 -12.605 -1.367 530 HD3 LYS 73 HD1 LYS 73 -1.231 -11.164 -0.806 531 HE2 LYS 73 HE2 LYS 73 0.282 -9.759 -2.098 532 HE3 LYS 73 HE1 LYS 73 1.154 -11.189 -2.648 533 HZ1 LYS 73 HZ1 LYS 73 -1.665 -10.489 -3.253 534 HZ2 LYS 73 HZ2 LYS 73 -0.935 -11.950 -3.683 535 HZ3 LYS 73 HZ3 LYS 73 -0.367 -10.501 -4.339 536 H GLN 74 HN GLN 74 -0.775 -12.097 4.265 537 HA GLN 74 HA GLN 74 -1.877 -14.713 4.482 538 HB2 GLN 74 HB2 GLN 74 -1.114 -12.657 6.540 539 HB3 GLN 74 HB1 GLN 74 -1.779 -14.226 6.973 540 HG2 GLN 74 HG2 GLN 74 0.757 -13.742 5.431 541 HG3 GLN 74 HG1 GLN 74 0.635 -14.226 7.117 542 HE21 GLN 74 HE21 GLN 74 1.943 -15.557 4.892 543 HE22 GLN 74 HE22 GLN 74 1.229 -17.128 4.780 544 H ARG 75 HN ARG 75 -3.156 -11.469 5.068 545 HA ARG 75 HA ARG 75 -5.666 -12.579 6.033 546 HB2 ARG 75 HB2 ARG 75 -4.794 -9.720 5.620 547 HB3 ARG 75 HB1 ARG 75 -6.330 -10.210 6.317 548 HG2 ARG 75 HG2 ARG 75 -5.069 -11.365 8.121 549 HG3 ARG 75 HG1 ARG 75 -3.587 -10.677 7.454 550 HD2 ARG 75 HD2 ARG 75 -4.456 -8.431 7.802 551 HD3 ARG 75 HD1 ARG 75 -5.964 -9.098 8.422 552 HE ARG 75 HE ARG 75 -3.371 -9.535 9.751 553 HH11 ARG 75 HH11 ARG 75 -6.771 -8.706 9.864 554 HH12 ARG 75 HH12 ARG 75 -6.811 -8.577 11.591 555 HH21 ARG 75 HH21 ARG 75 -3.430 -9.387 12.034 556 HH22 ARG 75 HH22 ARG 75 -4.920 -8.980 12.824 557 H ALA 76 HN ALA 76 -4.370 -12.252 3.116 558 HA ALA 76 HA ALA 76 -5.114 -12.216 0.981 559 HB1 ALA 76 HB1 ALA 76 -7.801 -12.692 2.265 560 HB2 ALA 76 HB2 ALA 76 -6.667 -13.926 1.719 561 HB3 ALA 76 HB3 ALA 76 -7.448 -12.862 0.548 562 H ILE 77 HN ILE 77 -4.805 -9.744 2.340 563 HA ILE 77 HA ILE 77 -6.962 -8.040 1.384 564 HB ILE 77 HB ILE 77 -4.394 -7.367 2.836 565 HG12 ILE 77 HG12 ILE 77 -7.204 -7.349 3.931 566 HG13 ILE 77 HG11 ILE 77 -6.159 -8.760 4.044 567 HG21 ILE 77 HG21 ILE 77 -5.446 -5.180 3.240 568 HG22 ILE 77 HG22 ILE 77 -6.793 -5.652 2.203 569 HG23 ILE 77 HG23 ILE 77 -5.174 -5.482 1.525 570 HD11 ILE 77 HD11 ILE 77 -5.507 -6.045 5.168 571 HD12 ILE 77 HD12 ILE 77 -4.569 -7.530 5.360 572 HD13 ILE 77 HD13 ILE 77 -6.171 -7.397 6.087 573 HA PRO 78 HA PRO 78 -4.702 -7.180 -2.362 574 HB2 PRO 78 HB2 PRO 78 -6.319 -5.132 -3.201 575 HB3 PRO 78 HB1 PRO 78 -6.622 -6.844 -3.489 576 HG2 PRO 78 HG2 PRO 78 -7.951 -4.995 -1.655 577 HG3 PRO 78 HG1 PRO 78 -8.511 -6.547 -2.285 578 HD2 PRO 78 HD2 PRO 78 -7.493 -6.000 0.297 579 HD3 PRO 78 HD1 PRO 78 -7.900 -7.581 -0.382 580 H PHE 79 HN PHE 79 -3.115 -5.805 -2.910 581 HA PHE 79 HA PHE 79 -3.056 -3.100 -1.945 582 HB2 PHE 79 HB2 PHE 79 -0.922 -3.277 -0.762 583 HB3 PHE 79 HB1 PHE 79 -2.193 -4.192 0.020 584 HD1 PHE 79 HD2 PHE 79 -2.236 -6.694 -0.291 585 HD2 PHE 79 HD1 PHE 79 1.070 -4.270 -1.397 586 HE1 PHE 79 HE2 PHE 79 -0.781 -8.682 -0.271 587 HE2 PHE 79 HE1 PHE 79 2.534 -6.246 -1.381 588 HZ PHE 79 HZ PHE 79 1.609 -8.457 -0.814 589 H ILE 80 HN ILE 80 -1.178 -1.936 -2.717 590 HA ILE 80 HA ILE 80 -0.023 -3.158 -5.141 591 HB ILE 80 HB ILE 80 -0.919 -0.285 -4.849 592 HG12 ILE 80 HG12 ILE 80 -2.041 -2.581 -6.458 593 HG13 ILE 80 HG11 ILE 80 -2.830 -1.732 -5.133 594 HG21 ILE 80 HG21 ILE 80 0.304 -1.717 -7.204 595 HG22 ILE 80 HG22 ILE 80 1.072 -0.464 -6.227 596 HG23 ILE 80 HG23 ILE 80 -0.333 -0.071 -7.220 597 HD11 ILE 80 HD11 ILE 80 -2.120 -0.563 -7.809 598 HD12 ILE 80 HD12 ILE 80 -2.895 0.300 -6.479 599 HD13 ILE 80 HD13 ILE 80 -3.728 -1.042 -7.267 600 H LEU 81 HN LEU 81 2.134 -2.749 -5.494 601 HA LEU 81 HA LEU 81 3.574 -1.550 -3.268 602 HB2 LEU 81 HB2 LEU 81 4.581 -2.971 -5.733 603 HB3 LEU 81 HB1 LEU 81 5.605 -2.354 -4.456 604 HG LEU 81 HG LEU 81 5.473 -4.609 -3.967 605 HD11 LEU 81 HD11 LEU 81 4.127 -4.834 -1.954 606 HD12 LEU 81 HD12 LEU 81 3.204 -3.397 -2.398 607 HD13 LEU 81 HD13 LEU 81 4.919 -3.259 -2.010 608 HD21 LEU 81 HD21 LEU 81 3.515 -5.984 -4.138 609 HD22 LEU 81 HD22 LEU 81 3.741 -5.114 -5.658 610 HD23 LEU 81 HD23 LEU 81 2.512 -4.582 -4.511 611 H HIS 82 HN HIS 82 3.768 0.560 -3.303 612 HA HIS 82 HA HIS 82 4.308 1.879 -5.879 613 HB2 HIS 82 HB2 HIS 82 2.241 2.656 -4.847 614 HB3 HIS 82 HB1 HIS 82 3.068 2.982 -3.334 615 HD1 HIS 82 HD1 HIS 82 2.119 5.442 -3.576 616 HD2 HIS 82 HD2 HIS 82 4.888 4.328 -6.464 617 HE1 HIS 82 HE1 HIS 82 2.799 7.572 -4.726 618 HE2 HIS 82 HE2 HIS 82 4.612 6.898 -6.322 619 H THR 83 HN THR 83 6.488 1.523 -5.893 620 HA THR 83 HA THR 83 8.057 2.790 -3.745 621 HB THR 83 HB THR 83 8.132 0.345 -3.535 622 HG1 THR 83 HG1 THR 83 10.010 1.508 -3.003 623 HG21 THR 83 HG21 THR 83 9.060 -1.049 -5.273 624 HG22 THR 83 HG22 THR 83 9.312 0.361 -6.302 625 HG23 THR 83 HG23 THR 83 7.671 -0.155 -5.902 626 H GLY 84 HN GLY 84 10.216 3.461 -4.395 627 HA2 GLY 84 HA2 GLY 84 10.306 4.248 -7.227 628 HA3 GLY 84 HA1 GLY 84 11.168 5.043 -5.918 629 H ASP 85 HN ASP 85 11.263 1.639 -5.758 630 HA ASP 85 HA ASP 85 13.556 1.383 -7.517 631 HB2 ASP 85 HB2 ASP 85 14.514 2.092 -5.318 632 HB3 ASP 85 HB1 ASP 85 13.818 0.643 -4.598 633 H LEU 86 HN LEU 86 13.044 -0.314 -8.706 634 HA LEU 86 HA LEU 86 11.723 -2.602 -7.405 635 HB2 LEU 86 HB2 LEU 86 11.765 -1.762 -10.304 636 HB3 LEU 86 HB1 LEU 86 11.061 -3.258 -9.724 637 HG LEU 86 HG LEU 86 10.130 -0.497 -8.931 638 HD11 LEU 86 HD11 LEU 86 8.941 -2.500 -10.846 639 HD12 LEU 86 HD12 LEU 86 9.665 -0.949 -11.276 640 HD13 LEU 86 HD13 LEU 86 8.178 -0.996 -10.328 641 HD21 LEU 86 HD21 LEU 86 9.748 -2.206 -7.220 642 HD22 LEU 86 HD22 LEU 86 8.940 -3.218 -8.415 643 HD23 LEU 86 HD23 LEU 86 8.237 -1.669 -7.952 644 H ASP 87 HN ASP 87 14.677 -1.575 -8.398 645 HA ASP 87 HA ASP 87 15.529 -3.982 -9.749 646 HB2 ASP 87 HB2 ASP 87 16.410 -1.750 -10.383 647 HB3 ASP 87 HB1 ASP 87 17.190 -1.638 -8.810 648 H ARG 88 HN ARG 88 16.349 -2.343 -6.678 649 HA ARG 88 HA ARG 88 18.045 -4.522 -5.887 650 HB2 ARG 88 HB2 ARG 88 17.175 -1.980 -4.547 651 HB3 ARG 88 HB1 ARG 88 18.185 -3.173 -3.761 652 HG2 ARG 88 HG2 ARG 88 19.705 -1.646 -4.589 653 HG3 ARG 88 HG1 ARG 88 19.722 -2.926 -5.794 654 HD2 ARG 88 HD2 ARG 88 18.109 -1.635 -7.138 655 HD3 ARG 88 HD1 ARG 88 18.203 -0.331 -5.960 656 HE ARG 88 HE ARG 88 20.709 -1.166 -7.177 657 HH11 ARG 88 HH11 ARG 88 18.031 1.099 -7.122 658 HH12 ARG 88 HH12 ARG 88 18.871 2.303 -8.054 659 HH21 ARG 88 HH21 ARG 88 21.803 0.402 -8.429 660 HH22 ARG 88 HH22 ARG 88 21.019 1.906 -8.798 661 H HIS 89 HN HIS 89 14.796 -4.121 -5.943 662 HA HIS 89 HA HIS 89 14.426 -5.771 -3.536 663 HB2 HIS 89 HB2 HIS 89 12.560 -3.729 -4.737 664 HB3 HIS 89 HB1 HIS 89 12.101 -4.850 -3.460 665 HD1 HIS 89 HD1 HIS 89 13.702 -4.634 -1.224 666 HD2 HIS 89 HD2 HIS 89 13.556 -1.398 -3.822 667 HE1 HIS 89 HE1 HIS 89 14.511 -2.666 0.103 668 HE2 HIS 89 HE2 HIS 89 14.609 -0.765 -1.547 669 H GLY 90 HN GLY 90 14.840 -6.340 -6.534 670 HA2 GLY 90 HA2 GLY 90 12.515 -7.352 -7.676 671 HA3 GLY 90 HA1 GLY 90 14.129 -7.950 -8.005 672 H GLU 91 HN GLU 91 14.836 -8.995 -5.564 673 HA GLU 91 HA GLU 91 13.575 -11.506 -5.576 674 HB2 GLU 91 HB2 GLU 91 15.871 -11.181 -4.814 675 HB3 GLU 91 HB1 GLU 91 15.305 -10.211 -3.467 676 HG2 GLU 91 HG2 GLU 91 14.220 -12.119 -2.486 677 HG3 GLU 91 HG1 GLU 91 14.642 -13.111 -3.881 678 H LEU 92 HN LEU 92 13.236 -8.702 -3.465 679 HA LEU 92 HA LEU 92 11.454 -9.847 -1.606 680 HB2 LEU 92 HB2 LEU 92 12.746 -7.752 -1.266 681 HB3 LEU 92 HB1 LEU 92 11.703 -6.953 -2.425 682 HG LEU 92 HG LEU 92 9.765 -7.467 -0.899 683 HD11 LEU 92 HD11 LEU 92 10.238 -8.017 1.409 684 HD12 LEU 92 HD12 LEU 92 11.964 -8.117 1.059 685 HD13 LEU 92 HD13 LEU 92 10.850 -9.290 0.353 686 HD21 LEU 92 HD21 LEU 92 11.945 -5.791 0.320 687 HD22 LEU 92 HD22 LEU 92 10.204 -5.609 0.537 688 HD23 LEU 92 HD23 LEU 92 10.939 -5.282 -1.033 689 H LEU 93 HN LEU 93 10.951 -8.090 -4.631 690 HA LEU 93 HA LEU 93 8.174 -7.822 -4.514 691 HB2 LEU 93 HB2 LEU 93 10.003 -8.125 -6.890 692 HB3 LEU 93 HB1 LEU 93 8.330 -7.623 -6.983 693 HG LEU 93 HG LEU 93 10.418 -6.106 -5.434 694 HD11 LEU 93 HD11 LEU 93 9.419 -5.633 -8.233 695 HD12 LEU 93 HD12 LEU 93 11.040 -6.158 -7.781 696 HD13 LEU 93 HD13 LEU 93 10.471 -4.556 -7.317 697 HD21 LEU 93 HD21 LEU 93 8.766 -4.288 -5.593 698 HD22 LEU 93 HD22 LEU 93 8.150 -5.684 -4.709 699 HD23 LEU 93 HD23 LEU 93 7.643 -5.401 -6.374 700 H ARG 94 HN ARG 94 10.200 -10.504 -5.550 701 HA ARG 94 HA ARG 94 8.062 -12.012 -6.694 702 HB2 ARG 94 HB2 ARG 94 10.766 -12.960 -5.721 703 HB3 ARG 94 HB1 ARG 94 9.665 -13.870 -6.749 704 HG2 ARG 94 HG2 ARG 94 9.861 -12.066 -8.450 705 HG3 ARG 94 HG1 ARG 94 11.087 -11.308 -7.436 706 HD2 ARG 94 HD2 ARG 94 11.233 -14.046 -8.687 707 HD3 ARG 94 HD1 ARG 94 12.126 -12.617 -9.195 708 HE ARG 94 HE ARG 94 12.569 -14.153 -6.729 709 HH11 ARG 94 HH11 ARG 94 13.597 -11.652 -8.953 710 HH12 ARG 94 HH12 ARG 94 15.223 -11.611 -8.352 711 HH21 ARG 94 HH21 ARG 94 14.708 -14.118 -5.947 712 HH22 ARG 94 HH22 ARG 94 15.860 -13.016 -6.641 713 H LYS 95 HN LYS 95 9.357 -11.607 -3.508 714 HA LYS 95 HA LYS 95 8.007 -13.856 -2.351 715 HB2 LYS 95 HB2 LYS 95 9.179 -11.388 -1.060 716 HB3 LYS 95 HB1 LYS 95 8.599 -12.801 -0.190 717 HG2 LYS 95 HG2 LYS 95 10.307 -14.171 -1.272 718 HG3 LYS 95 HG1 LYS 95 10.891 -12.750 -2.142 719 HD2 LYS 95 HD2 LYS 95 11.460 -11.670 -0.043 720 HD3 LYS 95 HD1 LYS 95 10.809 -13.040 0.858 721 HE2 LYS 95 HE2 LYS 95 12.499 -14.497 -0.154 722 HE3 LYS 95 HE1 LYS 95 13.151 -13.121 -1.038 723 HZ1 LYS 95 HZ1 LYS 95 14.416 -13.618 0.973 724 HZ2 LYS 95 HZ2 LYS 95 13.040 -13.345 1.919 725 HZ3 LYS 95 HZ3 LYS 95 13.726 -12.077 1.038 726 H ILE 96 HN ILE 96 7.245 -10.562 -3.068 727 HA ILE 96 HA ILE 96 4.852 -10.490 -1.474 728 HB ILE 96 HB ILE 96 5.835 -8.626 -3.639 729 HG12 ILE 96 HG12 ILE 96 5.963 -8.332 -0.630 730 HG13 ILE 96 HG11 ILE 96 7.325 -8.786 -1.650 731 HG21 ILE 96 HG21 ILE 96 3.470 -8.407 -3.393 732 HG22 ILE 96 HG22 ILE 96 4.242 -7.025 -2.612 733 HG23 ILE 96 HG23 ILE 96 3.609 -8.351 -1.637 734 HD11 ILE 96 HD11 ILE 96 7.343 -6.415 -1.015 735 HD12 ILE 96 HD12 ILE 96 5.808 -6.198 -1.860 736 HD13 ILE 96 HD13 ILE 96 7.255 -6.654 -2.759 737 H ASP 97 HN ASP 97 5.479 -10.209 -4.968 738 HA ASP 97 HA ASP 97 4.252 -10.685 -6.809 739 HB2 ASP 97 HB2 ASP 97 4.428 -13.005 -5.952 740 HB3 ASP 97 HB1 ASP 97 2.927 -12.773 -5.063 741 H ALA 98 HN ALA 98 3.278 -8.637 -6.724 742 HA ALA 98 HA ALA 98 0.420 -8.671 -6.653 743 HB1 ALA 98 HB1 ALA 98 0.128 -6.971 -4.909 744 HB2 ALA 98 HB2 ALA 98 1.855 -7.023 -4.564 745 HB3 ALA 98 HB3 ALA 98 0.852 -8.437 -4.249 746 HA PRO 99 HA PRO 99 0.801 -5.372 -9.547 747 HB2 PRO 99 HB2 PRO 99 -1.025 -3.714 -7.898 748 HB3 PRO 99 HB1 PRO 99 -1.148 -4.166 -9.599 749 HG2 PRO 99 HG2 PRO 99 -2.690 -5.341 -7.817 750 HG3 PRO 99 HG1 PRO 99 -1.928 -6.297 -9.094 751 HD2 PRO 99 HD2 PRO 99 -1.138 -6.021 -6.222 752 HD3 PRO 99 HD1 PRO 99 -1.211 -7.481 -7.233 753 H VAL 100 HN VAL 100 2.111 -3.689 -9.942 754 HA VAL 100 HA VAL 100 3.226 -2.254 -7.628 755 HB VAL 100 HB VAL 100 4.651 -3.056 -10.174 756 HG11 VAL 100 HG11 VAL 100 5.720 -1.689 -7.708 757 HG12 VAL 100 HG12 VAL 100 5.453 -0.927 -9.276 758 HG13 VAL 100 HG13 VAL 100 6.664 -2.198 -9.109 759 HG21 VAL 100 HG21 VAL 100 5.947 -4.563 -8.767 760 HG22 VAL 100 HG22 VAL 100 4.229 -4.955 -8.684 761 HG23 VAL 100 HG23 VAL 100 4.999 -4.084 -7.360 762 H MET 101 HN MET 101 3.185 -0.113 -7.683 763 HA MET 101 HA MET 101 2.873 1.273 -10.269 764 HB2 MET 101 HB2 MET 101 1.787 2.054 -7.552 765 HB3 MET 101 HB1 MET 101 1.837 3.148 -8.925 766 HG2 MET 101 HG2 MET 101 0.412 0.509 -9.018 767 HG3 MET 101 HG1 MET 101 -0.357 1.988 -8.446 768 HE1 MET 101 HE1 MET 101 -1.309 3.839 -9.968 769 HE2 MET 101 HE2 MET 101 -0.660 4.187 -11.572 770 HE3 MET 101 HE3 MET 101 0.384 4.297 -10.155 771 H ALA 102 HN ALA 102 5.027 1.603 -10.623 772 HA ALA 102 HA ALA 102 6.908 2.140 -8.572 773 HB1 ALA 102 HB1 ALA 102 8.502 2.455 -10.375 774 HB2 ALA 102 HB2 ALA 102 7.186 2.549 -11.546 775 HB3 ALA 102 HB3 ALA 102 7.494 1.040 -10.686 776 H LYS 103 HN LYS 103 8.164 4.024 -8.242 777 HA LYS 103 HA LYS 103 6.681 6.502 -8.624 778 HB2 LYS 103 HB2 LYS 103 9.225 5.911 -7.086 779 HB3 LYS 103 HB1 LYS 103 8.448 7.483 -7.153 780 HG2 LYS 103 HG2 LYS 103 6.459 6.540 -6.079 781 HG3 LYS 103 HG1 LYS 103 7.253 4.971 -6.000 782 HD2 LYS 103 HD2 LYS 103 8.918 5.813 -4.496 783 HD3 LYS 103 HD1 LYS 103 8.349 7.470 -4.713 784 HE2 LYS 103 HE2 LYS 103 6.265 6.953 -3.625 785 HE3 LYS 103 HE1 LYS 103 6.688 5.244 -3.539 786 HZ1 LYS 103 HZ1 LYS 103 6.984 6.524 -1.432 787 HZ2 LYS 103 HZ2 LYS 103 8.260 7.369 -2.170 788 HZ3 LYS 103 HZ3 LYS 103 8.363 5.688 -1.948 789 HA PRO 104 HA PRO 104 7.133 8.740 -8.667 790 HB2 PRO 104 HB2 PRO 104 6.569 10.095 -11.188 791 HB3 PRO 104 HB1 PRO 104 7.254 10.750 -9.700 792 HG2 PRO 104 HG2 PRO 104 8.713 10.445 -11.956 793 HG3 PRO 104 HG1 PRO 104 9.417 10.292 -10.335 794 HD2 PRO 104 HD2 PRO 104 8.573 8.144 -12.248 795 HD3 PRO 104 HD1 PRO 104 10.020 8.232 -11.220 796 H ALA 105 HN ALA 105 4.960 8.691 -8.427 797 HA ALA 105 HA ALA 105 3.269 7.670 -10.580 798 HB1 ALA 105 HB1 ALA 105 3.264 6.500 -7.792 799 HB2 ALA 105 HB2 ALA 105 3.889 5.700 -9.241 800 HB3 ALA 105 HB3 ALA 105 2.165 6.067 -9.110 801 H ASP 106 HN ASP 106 1.372 8.713 -10.652 802 HA ASP 106 HA ASP 106 0.828 10.810 -8.782 803 HB2 ASP 106 HB2 ASP 106 0.177 11.010 -11.158 804 HB3 ASP 106 HB1 ASP 106 -0.952 9.672 -10.954 805 H THR 107 HN THR 107 -0.428 10.790 -7.054 806 HA THR 107 HA THR 107 -0.857 8.286 -5.850 807 HB THR 107 HB THR 107 -1.916 9.694 -4.017 808 HG1 THR 107 HG1 THR 107 -0.829 11.999 -4.938 809 HG21 THR 107 HG21 THR 107 0.434 8.992 -4.028 810 HG22 THR 107 HG22 THR 107 0.261 10.616 -3.362 811 HG23 THR 107 HG23 THR 107 0.847 10.397 -5.014 812 H SER 108 HN SER 108 -2.962 10.280 -7.753 813 HA SER 108 HA SER 108 -5.393 9.171 -6.733 814 HB2 SER 108 HB2 SER 108 -5.255 11.358 -7.959 815 HB3 SER 108 HB1 SER 108 -4.922 10.456 -9.435 816 HG SER 108 HG SER 108 -7.268 10.337 -7.836 817 H ASP 109 HN ASP 109 -3.220 8.454 -9.433 818 HA ASP 109 HA ASP 109 -4.763 6.344 -10.542 819 HB2 ASP 109 HB2 ASP 109 -1.877 7.143 -10.755 820 HB3 ASP 109 HB1 ASP 109 -2.431 5.624 -11.447 821 H VAL 110 HN VAL 110 -2.204 6.493 -8.152 822 HA VAL 110 HA VAL 110 -1.912 3.726 -7.745 823 HB VAL 110 HB VAL 110 -1.512 5.887 -5.672 824 HG11 VAL 110 HG11 VAL 110 -1.486 3.559 -4.850 825 HG12 VAL 110 HG12 VAL 110 0.079 4.360 -4.690 826 HG13 VAL 110 HG13 VAL 110 -0.187 3.197 -5.989 827 HG21 VAL 110 HG21 VAL 110 0.799 6.008 -6.460 828 HG22 VAL 110 HG22 VAL 110 -0.339 6.466 -7.732 829 HG23 VAL 110 HG23 VAL 110 0.420 4.871 -7.755 830 H ALA 111 HN ALA 111 -4.003 6.153 -6.248 831 HA ALA 111 HA ALA 111 -5.082 4.489 -4.236 832 HB1 ALA 111 HB1 ALA 111 -5.145 6.937 -4.125 833 HB2 ALA 111 HB2 ALA 111 -6.752 6.232 -3.943 834 HB3 ALA 111 HB3 ALA 111 -6.279 6.964 -5.476 835 H LYS 112 HN LYS 112 -6.317 5.454 -7.425 836 HA LYS 112 HA LYS 112 -8.791 4.153 -7.237 837 HB2 LYS 112 HB2 LYS 112 -7.123 4.865 -9.650 838 HB3 LYS 112 HB1 LYS 112 -8.775 4.265 -9.745 839 HG2 LYS 112 HG2 LYS 112 -9.611 6.190 -8.597 840 HG3 LYS 112 HG1 LYS 112 -7.975 6.752 -8.250 841 HD2 LYS 112 HD2 LYS 112 -8.931 8.006 -10.095 842 HD3 LYS 112 HD1 LYS 112 -7.571 7.033 -10.652 843 HE2 LYS 112 HE2 LYS 112 -9.161 5.332 -11.465 844 HE3 LYS 112 HE1 LYS 112 -10.497 6.365 -10.963 845 HZ1 LYS 112 HZ1 LYS 112 -9.767 8.037 -12.523 846 HZ2 LYS 112 HZ2 LYS 112 -9.995 6.572 -13.331 847 HZ3 LYS 112 HZ3 LYS 112 -8.433 7.099 -12.965 848 H ARG 113 HN ARG 113 -5.700 3.012 -8.576 849 HA ARG 113 HA ARG 113 -6.712 0.518 -9.444 850 HB2 ARG 113 HB2 ARG 113 -3.912 1.450 -8.865 851 HB3 ARG 113 HB1 ARG 113 -4.285 -0.150 -9.497 852 HG2 ARG 113 HG2 ARG 113 -4.972 2.465 -10.821 853 HG3 ARG 113 HG1 ARG 113 -3.662 1.382 -11.268 854 HD2 ARG 113 HD2 ARG 113 -5.259 -0.375 -11.791 855 HD3 ARG 113 HD1 ARG 113 -6.585 0.676 -11.304 856 HE ARG 113 HE ARG 113 -4.918 1.739 -13.405 857 HH11 ARG 113 HH11 ARG 113 -7.778 -0.108 -12.578 858 HH12 ARG 113 HH12 ARG 113 -8.502 0.078 -14.151 859 HH21 ARG 113 HH21 ARG 113 -5.884 1.994 -15.474 860 HH22 ARG 113 HH22 ARG 113 -7.427 1.268 -15.789 861 H ALA 114 HN ALA 114 -5.620 1.670 -6.366 862 HA ALA 114 HA ALA 114 -5.301 -0.950 -5.223 863 HB1 ALA 114 HB1 ALA 114 -5.485 1.769 -3.930 864 HB2 ALA 114 HB2 ALA 114 -4.006 0.889 -4.318 865 HB3 ALA 114 HB3 ALA 114 -5.106 0.273 -3.079 866 H LEU 115 HN LEU 115 -7.696 1.661 -4.951 867 HA LEU 115 HA LEU 115 -9.394 0.320 -3.167 868 HB2 LEU 115 HB2 LEU 115 -9.857 2.610 -5.043 869 HB3 LEU 115 HB1 LEU 115 -11.074 2.033 -3.919 870 HG LEU 115 HG LEU 115 -8.358 3.105 -3.158 871 HD11 LEU 115 HD11 LEU 115 -11.111 4.278 -2.908 872 HD12 LEU 115 HD12 LEU 115 -9.811 4.856 -3.952 873 HD13 LEU 115 HD13 LEU 115 -9.649 4.956 -2.197 874 HD21 LEU 115 HD21 LEU 115 -9.088 1.411 -1.602 875 HD22 LEU 115 HD22 LEU 115 -10.674 2.166 -1.473 876 HD23 LEU 115 HD23 LEU 115 -9.246 3.000 -0.861 877 H GLU 116 HN GLU 116 -9.191 0.171 -6.660 878 HA GLU 116 HA GLU 116 -11.769 -0.926 -7.068 879 HB2 GLU 116 HB2 GLU 116 -10.991 -1.590 -9.259 880 HB3 GLU 116 HB1 GLU 116 -10.412 0.019 -8.892 881 HG2 GLU 116 HG2 GLU 116 -8.231 -0.753 -8.466 882 HG3 GLU 116 HG1 GLU 116 -8.776 -2.420 -8.511 883 H MET 117 HN MET 117 -8.722 -2.298 -6.104 884 HA MET 117 HA MET 117 -9.419 -4.993 -6.691 885 HB2 MET 117 HB2 MET 117 -7.256 -3.871 -4.907 886 HB3 MET 117 HB1 MET 117 -7.410 -5.562 -5.353 887 HG2 MET 117 HG2 MET 117 -7.257 -4.801 -7.761 888 HG3 MET 117 HG1 MET 117 -6.771 -3.232 -7.125 889 HE1 MET 117 HE1 MET 117 -3.434 -4.129 -5.256 890 HE2 MET 117 HE2 MET 117 -5.008 -4.351 -4.488 891 HE3 MET 117 HE3 MET 117 -4.709 -2.929 -5.490 892 H CYS 118 HN CYS 118 -9.846 -2.910 -3.900 893 HA CYS 118 HA CYS 118 -10.671 -5.138 -2.248 894 HB2 CYS 118 HB2 CYS 118 -11.173 -3.371 -0.564 895 HB3 CYS 118 HB1 CYS 118 -9.508 -3.388 -1.109 896 HG CYS 118 HG CYS 118 -11.438 -1.287 -2.848 897 H GLY 119 HN GLY 119 -12.066 -3.499 -4.709 898 HA2 GLY 119 HA2 GLY 119 -14.740 -3.210 -3.780 899 HA3 GLY 119 HA1 GLY 119 -14.238 -3.355 -5.460 900 H GLY 120 HN GLY 120 -12.800 -5.878 -4.681 901 HA2 GLY 120 HA2 GLY 120 -15.069 -7.667 -4.151 902 HA3 GLY 120 HA1 GLY 120 -14.029 -7.964 -5.540 903 H ASP 121 HN ASP 121 -12.958 -9.777 -4.996 904 HA ASP 121 HA ASP 121 -10.941 -9.544 -2.957 905 HB2 ASP 121 HB2 ASP 121 -11.539 -11.452 -1.638 906 HB3 ASP 121 HB1 ASP 121 -12.958 -10.420 -1.715 907 H LYS 122 HN LYS 122 -10.335 -12.372 -2.911 908 HA LYS 122 HA LYS 122 -8.762 -12.639 -5.187 909 HB2 LYS 122 HB2 LYS 122 -9.839 -14.748 -3.319 910 HB3 LYS 122 HB1 LYS 122 -8.647 -15.073 -4.570 911 HG2 LYS 122 HG2 LYS 122 -7.178 -13.363 -3.509 912 HG3 LYS 122 HG1 LYS 122 -8.342 -13.267 -2.187 913 HD2 LYS 122 HD2 LYS 122 -7.986 -15.557 -1.615 914 HD3 LYS 122 HD1 LYS 122 -7.013 -15.820 -3.062 915 HE2 LYS 122 HE2 LYS 122 -6.305 -14.014 -0.754 916 HE3 LYS 122 HE1 LYS 122 -5.607 -15.599 -1.076 917 HZ1 LYS 122 HZ1 LYS 122 -4.150 -13.880 -1.875 918 HZ2 LYS 122 HZ2 LYS 122 -5.382 -13.197 -2.804 919 HZ3 LYS 122 HZ3 LYS 122 -4.778 -14.726 -3.196 920 H GLU 123 HN GLU 123 -9.424 -12.730 -7.200 921 HA GLU 123 HA GLU 123 -12.037 -13.594 -7.956 922 HB2 GLU 123 HB2 GLU 123 -11.151 -13.248 -10.289 923 HB3 GLU 123 HB1 GLU 123 -11.045 -11.842 -9.239 924 HG2 GLU 123 HG2 GLU 123 -8.718 -12.111 -8.952 925 HG3 GLU 123 HG1 GLU 123 -8.744 -13.721 -9.668 926 HA PRO 124 HA PRO 124 -11.039 -17.893 -8.561 927 HB2 PRO 124 HB2 PRO 124 -13.226 -18.609 -9.980 928 HB3 PRO 124 HB1 PRO 124 -13.291 -18.284 -8.244 929 HG2 PRO 124 HG2 PRO 124 -14.053 -16.513 -10.531 930 HG3 PRO 124 HG1 PRO 124 -14.893 -16.776 -8.992 931 HD2 PRO 124 HD2 PRO 124 -13.314 -14.612 -9.480 932 HD3 PRO 124 HD1 PRO 124 -13.536 -15.304 -7.862 933 H ALA 125 HN ALA 125 -10.451 -19.330 -10.274 934 HA ALA 125 HA ALA 125 -9.833 -17.929 -12.780 935 HB1 ALA 125 HB1 ALA 125 -8.639 -20.459 -11.649 936 HB2 ALA 125 HB2 ALA 125 -7.907 -18.854 -11.595 937 HB3 ALA 125 HB3 ALA 125 -8.148 -19.663 -13.144 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 -13.659 4.576 11.271 2 H2 GLY 1 HT2 GLY 1 -14.526 6.009 11.489 3 H3 GLY 1 HT3 GLY 1 -13.545 5.812 10.121 4 HA2 GLY 1 HA1 GLY 1 -15.972 4.222 10.743 5 HA3 GLY 1 HA2 GLY 1 -15.894 5.544 9.585 6 H ALA 2 HN ALA 2 -14.300 2.455 10.355 7 HA ALA 2 HA ALA 2 -13.484 2.123 7.593 8 HB1 ALA 2 HB1 ALA 2 -13.159 0.302 9.974 9 HB2 ALA 2 HB2 ALA 2 -11.962 1.442 9.360 10 HB3 ALA 2 HB3 ALA 2 -12.437 0.050 8.385 11 H MET 3 HN MET 3 -16.072 2.318 7.434 12 HA MET 3 HA MET 3 -16.917 -0.363 6.674 13 HB2 MET 3 HB2 MET 3 -17.801 0.150 9.005 14 HB3 MET 3 HB1 MET 3 -18.750 1.427 8.263 15 HG2 MET 3 HG2 MET 3 -20.071 -0.580 8.602 16 HG3 MET 3 HG1 MET 3 -19.911 -0.198 6.890 17 HE1 MET 3 HE1 MET 3 -20.856 -2.716 6.519 18 HE2 MET 3 HE2 MET 3 -20.804 -3.067 8.246 19 HE3 MET 3 HE3 MET 3 -20.024 -4.157 7.101 20 H GLY 4 HN GLY 4 -17.851 -0.300 4.724 21 HA2 GLY 4 HA2 GLY 4 -18.904 0.580 2.840 22 HA3 GLY 4 HA1 GLY 4 -19.159 2.081 3.726 23 H MET 5 HN MET 5 -16.918 3.092 4.357 24 HA MET 5 HA MET 5 -15.412 3.526 1.935 25 HB2 MET 5 HB2 MET 5 -15.150 4.589 4.744 26 HB3 MET 5 HB1 MET 5 -14.044 5.015 3.446 27 HG2 MET 5 HG2 MET 5 -15.713 6.139 2.244 28 HG3 MET 5 HG1 MET 5 -16.995 5.432 3.216 29 HE1 MET 5 HE1 MET 5 -14.058 8.616 4.809 30 HE2 MET 5 HE2 MET 5 -13.995 7.962 3.172 31 HE3 MET 5 HE3 MET 5 -13.605 6.933 4.551 32 HA PRO 6 HA PRO 6 -12.751 0.074 2.748 33 HB2 PRO 6 HB2 PRO 6 -10.909 1.418 0.889 34 HB3 PRO 6 HB1 PRO 6 -11.647 -0.180 0.779 35 HG2 PRO 6 HG2 PRO 6 -12.444 1.814 -0.795 36 HG3 PRO 6 HG1 PRO 6 -13.598 0.633 -0.155 37 HD2 PRO 6 HD2 PRO 6 -13.033 3.424 0.766 38 HD3 PRO 6 HD1 PRO 6 -14.590 2.599 0.591 39 H LYS 7 HN LYS 7 -11.243 -0.255 4.258 40 HA LYS 7 HA LYS 7 -9.877 2.057 5.356 41 HB2 LYS 7 HB2 LYS 7 -11.022 0.226 6.730 42 HB3 LYS 7 HB1 LYS 7 -9.652 -0.793 6.314 43 HG2 LYS 7 HG2 LYS 7 -9.518 0.334 8.545 44 HG3 LYS 7 HG1 LYS 7 -8.140 0.613 7.478 45 HD2 LYS 7 HD2 LYS 7 -8.918 2.800 6.920 46 HD3 LYS 7 HD1 LYS 7 -10.463 2.517 7.721 47 HE2 LYS 7 HE2 LYS 7 -7.930 2.324 9.288 48 HE3 LYS 7 HE1 LYS 7 -8.588 3.910 8.894 49 HZ1 LYS 7 HZ1 LYS 7 -9.329 3.047 11.063 50 HZ2 LYS 7 HZ2 LYS 7 -10.113 1.771 10.279 51 HZ3 LYS 7 HZ3 LYS 7 -10.615 3.369 10.008 52 H VAL 8 HN VAL 8 -8.102 2.670 4.418 53 HA VAL 8 HA VAL 8 -6.500 0.752 2.897 54 HB VAL 8 HB VAL 8 -6.507 3.775 2.824 55 HG11 VAL 8 HG11 VAL 8 -5.233 3.556 0.772 56 HG12 VAL 8 HG12 VAL 8 -5.243 1.798 0.933 57 HG13 VAL 8 HG13 VAL 8 -4.381 2.787 2.113 58 HG21 VAL 8 HG21 VAL 8 -8.634 2.852 2.057 59 HG22 VAL 8 HG22 VAL 8 -7.776 1.803 0.926 60 HG23 VAL 8 HG23 VAL 8 -7.725 3.554 0.717 61 H LEU 9 HN LEU 9 -4.503 0.215 3.513 62 HA LEU 9 HA LEU 9 -3.249 1.741 5.685 63 HB2 LEU 9 HB2 LEU 9 -3.598 -0.627 6.160 64 HB3 LEU 9 HB1 LEU 9 -2.733 -1.068 4.702 65 HG LEU 9 HG LEU 9 -0.657 -0.187 5.633 66 HD11 LEU 9 HD11 LEU 9 -2.293 0.405 8.099 67 HD12 LEU 9 HD12 LEU 9 -1.669 1.615 6.977 68 HD13 LEU 9 HD13 LEU 9 -0.552 0.626 7.921 69 HD21 LEU 9 HD21 LEU 9 -2.121 -2.052 7.494 70 HD22 LEU 9 HD22 LEU 9 -0.376 -1.796 7.469 71 HD23 LEU 9 HD23 LEU 9 -1.184 -2.507 6.070 72 H VAL 10 HN VAL 10 -1.859 3.224 4.959 73 HA VAL 10 HA VAL 10 -0.416 2.752 2.471 74 HB VAL 10 HB VAL 10 -0.773 5.204 4.186 75 HG11 VAL 10 HG11 VAL 10 1.575 5.160 3.448 76 HG12 VAL 10 HG12 VAL 10 0.665 6.435 2.639 77 HG13 VAL 10 HG13 VAL 10 1.042 4.940 1.782 78 HG21 VAL 10 HG21 VAL 10 -1.413 4.565 1.309 79 HG22 VAL 10 HG22 VAL 10 -1.727 6.107 2.112 80 HG23 VAL 10 HG23 VAL 10 -2.568 4.649 2.642 81 H LEU 11 HN LEU 11 1.496 1.933 2.441 82 HA LEU 11 HA LEU 11 3.298 2.234 4.740 83 HB2 LEU 11 HB2 LEU 11 2.876 0.145 2.758 84 HB3 LEU 11 HB1 LEU 11 4.560 0.626 2.840 85 HG LEU 11 HG LEU 11 4.216 -1.269 4.278 86 HD11 LEU 11 HD11 LEU 11 5.732 0.507 5.082 87 HD12 LEU 11 HD12 LEU 11 4.956 -0.359 6.407 88 HD13 LEU 11 HD13 LEU 11 4.391 1.252 5.954 89 HD21 LEU 11 HD21 LEU 11 1.770 -0.913 4.515 90 HD22 LEU 11 HD22 LEU 11 2.098 0.394 5.655 91 HD23 LEU 11 HD23 LEU 11 2.574 -1.257 6.043 92 H GLU 12 HN GLU 12 4.414 4.050 4.557 93 HA GLU 12 HA GLU 12 6.003 4.550 2.225 94 HB2 GLU 12 HB2 GLU 12 3.821 5.395 1.448 95 HB3 GLU 12 HB1 GLU 12 3.734 6.454 2.848 96 HG2 GLU 12 HG2 GLU 12 4.398 7.602 0.781 97 HG3 GLU 12 HG1 GLU 12 5.597 7.732 2.062 98 H ASP 13 HN ASP 13 7.810 5.433 2.872 99 HA ASP 13 HA ASP 13 7.983 6.546 5.559 100 HB2 ASP 13 HB2 ASP 13 9.615 4.854 4.989 101 HB3 ASP 13 HB1 ASP 13 10.087 5.735 3.550 102 H GLU 14 HN GLU 14 7.730 7.565 2.337 103 HA GLU 14 HA GLU 14 8.818 10.221 2.854 104 HB2 GLU 14 HB2 GLU 14 7.382 9.108 0.433 105 HB3 GLU 14 HB1 GLU 14 8.130 10.695 0.530 106 HG2 GLU 14 HG2 GLU 14 10.311 9.630 0.876 107 HG3 GLU 14 HG1 GLU 14 9.547 8.048 0.725 108 HA PRO 15 HA PRO 15 4.827 11.065 4.764 109 HB2 PRO 15 HB2 PRO 15 5.977 13.749 5.046 110 HB3 PRO 15 HB1 PRO 15 5.299 12.680 6.271 111 HG2 PRO 15 HG2 PRO 15 7.935 13.081 6.107 112 HG3 PRO 15 HG1 PRO 15 7.271 11.486 6.509 113 HD2 PRO 15 HD2 PRO 15 8.375 12.477 3.909 114 HD3 PRO 15 HD1 PRO 15 8.575 10.895 4.692 115 H LEU 16 HN LEU 16 6.346 13.129 2.325 116 HA LEU 16 HA LEU 16 4.065 14.636 1.661 117 HB2 LEU 16 HB2 LEU 16 6.395 15.114 0.917 118 HB3 LEU 16 HB1 LEU 16 6.303 13.745 -0.167 119 HG LEU 16 HG LEU 16 5.990 16.076 -1.164 120 HD11 LEU 16 HD11 LEU 16 3.876 13.997 -1.676 121 HD12 LEU 16 HD12 LEU 16 5.484 14.046 -2.397 122 HD13 LEU 16 HD13 LEU 16 4.318 15.317 -2.760 123 HD21 LEU 16 HD21 LEU 16 3.751 17.016 -1.061 124 HD22 LEU 16 HD22 LEU 16 4.473 16.943 0.547 125 HD23 LEU 16 HD23 LEU 16 3.260 15.756 0.070 126 H ILE 17 HN ILE 17 5.351 11.639 0.271 127 HA ILE 17 HA ILE 17 3.200 11.187 -1.503 128 HB ILE 17 HB ILE 17 5.207 9.270 -0.313 129 HG12 ILE 17 HG12 ILE 17 5.108 10.750 -2.936 130 HG13 ILE 17 HG11 ILE 17 6.218 11.024 -1.615 131 HG21 ILE 17 HG21 ILE 17 3.228 8.903 -2.536 132 HG22 ILE 17 HG22 ILE 17 3.398 7.947 -1.057 133 HG23 ILE 17 HG23 ILE 17 4.640 7.876 -2.308 134 HD11 ILE 17 HD11 ILE 17 6.072 8.540 -3.279 135 HD12 ILE 17 HD12 ILE 17 7.196 8.835 -1.953 136 HD13 ILE 17 HD13 ILE 17 7.282 9.814 -3.417 137 H ALA 18 HN ALA 18 3.927 9.978 1.750 138 HA ALA 18 HA ALA 18 1.786 8.239 2.075 139 HB1 ALA 18 HB1 ALA 18 2.113 8.520 4.462 140 HB2 ALA 18 HB2 ALA 18 3.036 9.999 4.183 141 HB3 ALA 18 HB3 ALA 18 3.672 8.447 3.641 142 H MET 19 HN MET 19 1.986 11.674 2.958 143 HA MET 19 HA MET 19 -0.647 12.022 3.789 144 HB2 MET 19 HB2 MET 19 1.244 13.572 4.182 145 HB3 MET 19 HB1 MET 19 1.187 14.014 2.484 146 HG2 MET 19 HG2 MET 19 -1.196 14.710 2.873 147 HG3 MET 19 HG1 MET 19 -0.860 14.524 4.591 148 HE1 MET 19 HE1 MET 19 1.308 17.508 1.833 149 HE2 MET 19 HE2 MET 19 0.102 16.336 1.298 150 HE3 MET 19 HE3 MET 19 1.684 15.786 1.850 151 H ASN 20 HN ASN 20 0.839 12.399 0.588 152 HA ASN 20 HA ASN 20 -1.456 13.474 -0.650 153 HB2 ASN 20 HB2 ASN 20 1.207 12.565 -1.463 154 HB3 ASN 20 HB1 ASN 20 -0.026 12.344 -2.688 155 HD21 ASN 20 HD21 ASN 20 2.211 14.125 -2.761 156 HD22 ASN 20 HD22 ASN 20 1.580 15.733 -2.877 157 H LEU 21 HN LEU 21 -0.187 10.165 -0.391 158 HA LEU 21 HA LEU 21 -2.189 8.908 -1.901 159 HB2 LEU 21 HB2 LEU 21 -0.452 8.008 0.374 160 HB3 LEU 21 HB1 LEU 21 -1.632 6.941 -0.347 161 HG LEU 21 HG LEU 21 0.561 8.272 -1.918 162 HD11 LEU 21 HD11 LEU 21 0.501 5.500 -0.739 163 HD12 LEU 21 HD12 LEU 21 1.533 6.830 -0.208 164 HD13 LEU 21 HD13 LEU 21 1.735 6.147 -1.822 165 HD21 LEU 21 HD21 LEU 21 -1.399 7.552 -3.181 166 HD22 LEU 21 HD22 LEU 21 -1.237 5.932 -2.506 167 HD23 LEU 21 HD23 LEU 21 0.015 6.573 -3.569 168 H GLN 22 HN GLN 22 -1.950 9.671 1.530 169 HA GLN 22 HA GLN 22 -4.298 8.526 2.425 170 HB2 GLN 22 HB2 GLN 22 -2.408 9.704 3.727 171 HB3 GLN 22 HB1 GLN 22 -3.319 11.179 3.438 172 HG2 GLN 22 HG2 GLN 22 -5.262 10.170 4.546 173 HG3 GLN 22 HG1 GLN 22 -4.293 8.738 4.874 174 HE21 GLN 22 HE21 GLN 22 -5.611 10.553 6.704 175 HE22 GLN 22 HE22 GLN 22 -4.374 11.135 7.754 176 H TYR 23 HN TYR 23 -3.808 11.881 1.291 177 HA TYR 23 HA TYR 23 -6.540 12.582 1.396 178 HB2 TYR 23 HB2 TYR 23 -4.151 13.742 0.012 179 HB3 TYR 23 HB1 TYR 23 -5.758 14.356 -0.351 180 HD1 TYR 23 HD2 TYR 23 -7.199 14.870 1.865 181 HD2 TYR 23 HD1 TYR 23 -2.953 14.829 1.633 182 HE1 TYR 23 HE2 TYR 23 -7.081 16.320 3.848 183 HE2 TYR 23 HE1 TYR 23 -2.823 16.274 3.618 184 HH TYR 23 HH TYR 23 -4.208 17.885 4.810 185 H ALA 24 HN ALA 24 -4.633 10.935 -1.019 186 HA ALA 24 HA ALA 24 -6.401 11.342 -3.201 187 HB1 ALA 24 HB1 ALA 24 -4.061 10.692 -3.517 188 HB2 ALA 24 HB2 ALA 24 -5.159 9.557 -4.303 189 HB3 ALA 24 HB3 ALA 24 -4.396 9.129 -2.771 190 H PHE 25 HN PHE 25 -5.975 8.672 -0.904 191 HA PHE 25 HA PHE 25 -8.093 7.105 -1.952 192 HB2 PHE 25 HB2 PHE 25 -6.607 7.092 0.661 193 HB3 PHE 25 HB1 PHE 25 -7.952 6.001 0.365 194 HD1 PHE 25 HD2 PHE 25 -7.787 4.267 -1.342 195 HD2 PHE 25 HD1 PHE 25 -4.472 6.747 -0.372 196 HE1 PHE 25 HE2 PHE 25 -6.280 2.672 -2.443 197 HE2 PHE 25 HE1 PHE 25 -2.955 5.153 -1.479 198 HZ PHE 25 HZ PHE 25 -3.860 3.114 -2.511 199 H GLU 26 HN GLU 26 -7.886 9.456 0.701 200 HA GLU 26 HA GLU 26 -10.544 9.172 1.587 201 HB2 GLU 26 HB2 GLU 26 -8.662 11.529 1.733 202 HB3 GLU 26 HB1 GLU 26 -10.229 11.487 2.527 203 HG2 GLU 26 HG2 GLU 26 -9.472 9.477 3.775 204 HG3 GLU 26 HG1 GLU 26 -7.878 9.689 3.056 205 H ASP 27 HN ASP 27 -9.114 11.015 -1.024 206 HA ASP 27 HA ASP 27 -11.384 12.573 -1.686 207 HB2 ASP 27 HB2 ASP 27 -8.981 12.905 -2.482 208 HB3 ASP 27 HB1 ASP 27 -9.302 11.621 -3.634 209 H GLU 28 HN GLU 28 -10.358 9.327 -2.482 210 HA GLU 28 HA GLU 28 -12.461 8.941 -4.432 211 HB2 GLU 28 HB2 GLU 28 -10.462 7.033 -3.214 212 HB3 GLU 28 HB1 GLU 28 -11.642 6.569 -4.430 213 HG2 GLU 28 HG2 GLU 28 -9.447 8.595 -4.767 214 HG3 GLU 28 HG1 GLU 28 -9.469 6.962 -5.424 215 H GLY 29 HN GLY 29 -12.508 9.162 -1.188 216 HA2 GLY 29 HA2 GLY 29 -14.348 8.795 0.192 217 HA3 GLY 29 HA1 GLY 29 -15.032 7.742 -1.035 218 H ALA 30 HN ALA 30 -11.953 7.681 0.741 219 HA ALA 30 HA ALA 30 -12.775 5.145 1.968 220 HB1 ALA 30 HB1 ALA 30 -10.113 5.610 0.615 221 HB2 ALA 30 HB2 ALA 30 -11.419 4.606 -0.012 222 HB3 ALA 30 HB3 ALA 30 -10.595 4.152 1.481 223 H GLU 31 HN GLU 31 -11.187 4.537 3.758 224 HA GLU 31 HA GLU 31 -10.326 6.986 5.161 225 HB2 GLU 31 HB2 GLU 31 -12.230 5.838 6.227 226 HB3 GLU 31 HB1 GLU 31 -11.280 4.363 6.324 227 HG2 GLU 31 HG2 GLU 31 -9.778 5.345 7.884 228 HG3 GLU 31 HG1 GLU 31 -10.501 6.935 7.658 229 H VAL 32 HN VAL 32 -8.223 7.030 5.966 230 HA VAL 32 HA VAL 32 -6.572 4.769 5.014 231 HB VAL 32 HB VAL 32 -5.675 7.628 4.938 232 HG11 VAL 32 HG11 VAL 32 -4.082 6.779 3.266 233 HG12 VAL 32 HG12 VAL 32 -4.739 5.158 3.488 234 HG13 VAL 32 HG13 VAL 32 -3.915 5.966 4.821 235 HG21 VAL 32 HG21 VAL 32 -7.714 7.411 3.581 236 HG22 VAL 32 HG22 VAL 32 -6.923 6.136 2.644 237 HG23 VAL 32 HG23 VAL 32 -6.279 7.782 2.623 238 H VAL 33 HN VAL 33 -4.793 4.183 6.165 239 HA VAL 33 HA VAL 33 -4.044 5.794 8.521 240 HB VAL 33 HB VAL 33 -3.423 2.877 8.206 241 HG11 VAL 33 HG11 VAL 33 -3.139 3.001 10.655 242 HG12 VAL 33 HG12 VAL 33 -3.461 4.734 10.573 243 HG13 VAL 33 HG13 VAL 33 -2.040 4.062 9.772 244 HG21 VAL 33 HG21 VAL 33 -5.842 3.040 8.184 245 HG22 VAL 33 HG22 VAL 33 -5.804 4.042 9.636 246 HG23 VAL 33 HG23 VAL 33 -5.281 2.358 9.711 247 H VAL 34 HN VAL 34 -1.829 6.235 8.748 248 HA VAL 34 HA VAL 34 -0.199 5.526 6.402 249 HB VAL 34 HB VAL 34 -0.092 7.972 8.166 250 HG11 VAL 34 HG11 VAL 34 1.813 7.116 5.995 251 HG12 VAL 34 HG12 VAL 34 2.185 7.312 7.708 252 HG13 VAL 34 HG13 VAL 34 1.770 8.719 6.727 253 HG21 VAL 34 HG21 VAL 34 -1.803 8.010 6.435 254 HG22 VAL 34 HG22 VAL 34 -0.596 7.607 5.215 255 HG23 VAL 34 HG23 VAL 34 -0.515 9.154 6.060 256 H ALA 35 HN ALA 35 1.491 4.277 6.700 257 HA ALA 35 HA ALA 35 2.852 4.254 9.303 258 HB1 ALA 35 HB1 ALA 35 3.018 1.857 9.287 259 HB2 ALA 35 HB2 ALA 35 2.217 1.766 7.717 260 HB3 ALA 35 HB3 ALA 35 1.315 2.301 9.138 261 H ALA 36 HN ALA 36 5.075 3.994 9.175 262 HA ALA 36 HA ALA 36 6.172 4.050 6.441 263 HB1 ALA 36 HB1 ALA 36 8.021 5.335 7.300 264 HB2 ALA 36 HB2 ALA 36 7.415 5.158 8.951 265 HB3 ALA 36 HB3 ALA 36 6.503 6.105 7.772 266 H THR 37 HN THR 37 5.822 2.007 8.988 267 HA THR 37 HA THR 37 8.246 0.528 8.272 268 HB THR 37 HB THR 37 8.616 -0.105 10.625 269 HG1 THR 37 HG1 THR 37 7.481 1.392 12.179 270 HG21 THR 37 HG21 THR 37 9.533 1.998 11.417 271 HG22 THR 37 HG22 THR 37 8.559 2.886 10.243 272 HG23 THR 37 HG23 THR 37 9.841 1.809 9.690 273 H CYS 38 HN CYS 38 8.143 -1.758 9.098 274 HA CYS 38 HA CYS 38 5.754 -3.070 8.456 275 HB2 CYS 38 HB2 CYS 38 6.794 -5.027 9.616 276 HB3 CYS 38 HB1 CYS 38 7.855 -4.248 8.462 277 HG CYS 38 HG CYS 38 8.322 -4.780 11.677 278 H GLU 39 HN GLU 39 7.207 -2.275 11.542 279 HA GLU 39 HA GLU 39 5.299 -3.301 13.262 280 HB2 GLU 39 HB2 GLU 39 7.031 -0.868 13.603 281 HB3 GLU 39 HB1 GLU 39 6.128 -1.623 14.904 282 HG2 GLU 39 HG2 GLU 39 7.393 -3.680 14.598 283 HG3 GLU 39 HG1 GLU 39 8.295 -2.929 13.283 284 H GLN 40 HN GLN 40 5.441 0.034 11.965 285 HA GLN 40 HA GLN 40 3.098 0.950 13.181 286 HB2 GLN 40 HB2 GLN 40 4.579 1.724 10.696 287 HB3 GLN 40 HB1 GLN 40 3.055 2.490 11.090 288 HG2 GLN 40 HG2 GLN 40 3.972 3.263 13.190 289 HG3 GLN 40 HG1 GLN 40 5.500 2.474 12.818 290 HE21 GLN 40 HE21 GLN 40 6.890 3.400 11.371 291 HE22 GLN 40 HE22 GLN 40 6.679 5.006 10.756 292 H ALA 41 HN ALA 41 3.605 -0.795 10.192 293 HA ALA 41 HA ALA 41 0.968 -0.540 9.191 294 HB1 ALA 41 HB1 ALA 41 1.616 -2.174 7.584 295 HB2 ALA 41 HB2 ALA 41 2.945 -2.725 8.602 296 HB3 ALA 41 HB3 ALA 41 3.001 -1.120 7.874 297 H LEU 42 HN LEU 42 2.658 -3.176 10.853 298 HA LEU 42 HA LEU 42 0.483 -4.949 10.904 299 HB2 LEU 42 HB2 LEU 42 2.837 -4.783 12.780 300 HB3 LEU 42 HB1 LEU 42 1.803 -6.174 12.540 301 HG LEU 42 HG LEU 42 3.556 -4.962 10.413 302 HD11 LEU 42 HD11 LEU 42 4.872 -5.965 12.207 303 HD12 LEU 42 HD12 LEU 42 4.989 -6.898 10.715 304 HD13 LEU 42 HD13 LEU 42 3.963 -7.467 12.034 305 HD21 LEU 42 HD21 LEU 42 3.068 -7.049 9.191 306 HD22 LEU 42 HD22 LEU 42 1.636 -6.058 9.458 307 HD23 LEU 42 HD23 LEU 42 1.913 -7.489 10.448 308 H LYS 43 HN LYS 43 1.446 -2.320 12.985 309 HA LYS 43 HA LYS 43 -0.269 -2.913 15.160 310 HB2 LYS 43 HB2 LYS 43 1.598 -1.255 15.222 311 HB3 LYS 43 HB1 LYS 43 0.641 -0.193 14.201 312 HG2 LYS 43 HG2 LYS 43 -1.042 0.015 15.910 313 HG3 LYS 43 HG1 LYS 43 -0.199 -1.156 16.926 314 HD2 LYS 43 HD2 LYS 43 1.728 0.367 17.045 315 HD3 LYS 43 HD1 LYS 43 0.848 1.541 16.066 316 HE2 LYS 43 HE2 LYS 43 0.737 2.075 18.458 317 HE3 LYS 43 HE1 LYS 43 -0.854 1.732 17.782 318 HZ1 LYS 43 HZ1 LYS 43 -0.789 -0.454 18.739 319 HZ2 LYS 43 HZ2 LYS 43 -0.485 0.680 19.953 320 HZ3 LYS 43 HZ3 LYS 43 0.789 -0.219 19.300 321 H SER 44 HN SER 44 -0.656 -0.760 12.365 322 HA SER 44 HA SER 44 -3.330 -0.055 12.928 323 HB2 SER 44 HB2 SER 44 -1.950 1.287 11.428 324 HB3 SER 44 HB1 SER 44 -1.859 -0.051 10.285 325 HG SER 44 HG SER 44 -3.483 1.203 9.549 326 H LEU 45 HN LEU 45 -1.893 -2.692 11.109 327 HA LEU 45 HA LEU 45 -4.201 -3.675 9.868 328 HB2 LEU 45 HB2 LEU 45 -1.724 -4.336 9.584 329 HB3 LEU 45 HB1 LEU 45 -1.994 -5.415 10.937 330 HG LEU 45 HG LEU 45 -3.825 -6.500 9.621 331 HD11 LEU 45 HD11 LEU 45 -2.713 -4.772 7.415 332 HD12 LEU 45 HD12 LEU 45 -4.331 -4.679 8.107 333 HD13 LEU 45 HD13 LEU 45 -3.846 -6.106 7.193 334 HD21 LEU 45 HD21 LEU 45 -1.077 -6.500 8.388 335 HD22 LEU 45 HD22 LEU 45 -2.308 -7.746 8.168 336 HD23 LEU 45 HD23 LEU 45 -1.600 -7.474 9.761 337 H ALA 46 HN ALA 46 -2.924 -4.060 13.118 338 HA ALA 46 HA ALA 46 -4.930 -6.012 13.855 339 HB1 ALA 46 HB1 ALA 46 -2.699 -6.131 14.830 340 HB2 ALA 46 HB2 ALA 46 -3.925 -5.894 16.074 341 HB3 ALA 46 HB3 ALA 46 -2.924 -4.539 15.554 342 H ASP 47 HN ASP 47 -4.378 -2.575 14.194 343 HA ASP 47 HA ASP 47 -6.442 -2.153 16.139 344 HB2 ASP 47 HB2 ASP 47 -4.456 -0.676 15.911 345 HB3 ASP 47 HB1 ASP 47 -5.057 -0.148 14.345 346 H ASN 48 HN ASN 48 -6.180 -1.895 12.650 347 HA ASN 48 HA ASN 48 -9.064 -1.295 12.531 348 HB2 ASN 48 HB2 ASN 48 -7.023 -0.409 10.492 349 HB3 ASN 48 HB1 ASN 48 -8.703 0.059 10.574 350 HD21 ASN 48 HD21 ASN 48 -5.540 0.642 11.709 351 HD22 ASN 48 HD22 ASN 48 -5.902 2.017 12.694 352 HA PRO 49 HA PRO 49 -9.117 -4.737 9.702 353 HB2 PRO 49 HB2 PRO 49 -11.587 -4.322 8.647 354 HB3 PRO 49 HB1 PRO 49 -11.321 -4.924 10.282 355 HG2 PRO 49 HG2 PRO 49 -12.375 -2.352 9.437 356 HG3 PRO 49 HG1 PRO 49 -12.316 -3.048 11.062 357 HD2 PRO 49 HD2 PRO 49 -10.526 -1.094 9.817 358 HD3 PRO 49 HD1 PRO 49 -10.688 -1.531 11.526 359 H ILE 50 HN ILE 50 -7.468 -4.007 8.288 360 HA ILE 50 HA ILE 50 -7.803 -2.033 6.318 361 HB ILE 50 HB ILE 50 -5.822 -4.301 6.507 362 HG12 ILE 50 HG12 ILE 50 -5.667 -2.777 8.371 363 HG13 ILE 50 HG11 ILE 50 -4.301 -2.510 7.301 364 HG21 ILE 50 HG21 ILE 50 -5.714 -1.847 4.780 365 HG22 ILE 50 HG22 ILE 50 -6.006 -3.491 4.215 366 HG23 ILE 50 HG23 ILE 50 -4.454 -3.069 4.941 367 HD11 ILE 50 HD11 ILE 50 -6.751 -0.803 7.618 368 HD12 ILE 50 HD12 ILE 50 -5.580 -0.591 6.318 369 HD13 ILE 50 HD13 ILE 50 -5.080 -0.384 8.000 370 H ASP 51 HN ASP 51 -8.885 -2.081 4.500 371 HA ASP 51 HA ASP 51 -9.829 -4.609 3.395 372 HB2 ASP 51 HB2 ASP 51 -10.479 -1.740 2.676 373 HB3 ASP 51 HB1 ASP 51 -11.194 -3.147 1.908 374 H VAL 52 HN VAL 52 -7.620 -2.002 2.733 375 HA VAL 52 HA VAL 52 -6.361 -3.513 0.635 376 HB VAL 52 HB VAL 52 -8.197 -2.356 -0.594 377 HG11 VAL 52 HG11 VAL 52 -8.455 -0.368 0.712 378 HG12 VAL 52 HG12 VAL 52 -7.996 0.093 -0.928 379 HG13 VAL 52 HG13 VAL 52 -6.798 0.127 0.364 380 HG21 VAL 52 HG21 VAL 52 -6.804 -1.408 -2.362 381 HG22 VAL 52 HG22 VAL 52 -6.134 -2.922 -1.750 382 HG23 VAL 52 HG23 VAL 52 -5.428 -1.381 -1.260 383 H ALA 53 HN ALA 53 -4.301 -2.510 -0.016 384 HA ALA 53 HA ALA 53 -3.399 -0.375 1.771 385 HB1 ALA 53 HB1 ALA 53 -2.932 -2.513 2.897 386 HB2 ALA 53 HB2 ALA 53 -1.465 -1.622 2.492 387 HB3 ALA 53 HB3 ALA 53 -1.955 -3.006 1.512 388 H VAL 54 HN VAL 54 -1.158 0.317 1.255 389 HA VAL 54 HA VAL 54 -0.338 -0.121 -1.526 390 HB VAL 54 HB VAL 54 0.195 2.591 -0.946 391 HG11 VAL 54 HG11 VAL 54 -0.040 1.829 -3.157 392 HG12 VAL 54 HG12 VAL 54 -1.402 2.925 -2.875 393 HG13 VAL 54 HG13 VAL 54 -1.654 1.176 -2.839 394 HG21 VAL 54 HG21 VAL 54 -1.596 2.515 0.719 395 HG22 VAL 54 HG22 VAL 54 -2.714 1.927 -0.510 396 HG23 VAL 54 HG23 VAL 54 -2.023 3.543 -0.647 397 H LEU 55 HN LEU 55 1.745 -0.758 -1.415 398 HA LEU 55 HA LEU 55 3.193 -0.005 1.026 399 HB2 LEU 55 HB2 LEU 55 3.010 -2.579 -0.470 400 HB3 LEU 55 HB1 LEU 55 4.439 -2.237 0.479 401 HG LEU 55 HG LEU 55 3.090 -2.086 2.512 402 HD11 LEU 55 HD11 LEU 55 0.754 -2.743 0.732 403 HD12 LEU 55 HD12 LEU 55 1.022 -1.223 1.588 404 HD13 LEU 55 HD13 LEU 55 0.728 -2.709 2.496 405 HD21 LEU 55 HD21 LEU 55 3.938 -4.246 2.030 406 HD22 LEU 55 HD22 LEU 55 2.669 -4.554 0.850 407 HD23 LEU 55 HD23 LEU 55 2.273 -4.450 2.568 408 H ASP 56 HN ASP 56 4.767 1.398 0.661 409 HA ASP 56 HA ASP 56 6.304 1.391 -1.769 410 HB2 ASP 56 HB2 ASP 56 6.121 3.501 -0.634 411 HB3 ASP 56 HB1 ASP 56 6.708 2.803 0.875 412 H VAL 57 HN VAL 57 8.229 0.459 -2.132 413 HA VAL 57 HA VAL 57 8.810 -1.760 -0.336 414 HB VAL 57 HB VAL 57 9.833 -1.297 -3.142 415 HG11 VAL 57 HG11 VAL 57 11.111 -2.926 -1.876 416 HG12 VAL 57 HG12 VAL 57 10.179 -3.714 -3.149 417 HG13 VAL 57 HG13 VAL 57 9.629 -3.794 -1.475 418 HG21 VAL 57 HG21 VAL 57 7.397 -1.308 -3.126 419 HG22 VAL 57 HG22 VAL 57 7.400 -2.834 -2.242 420 HG23 VAL 57 HG23 VAL 57 8.030 -2.767 -3.888 421 H ASN 58 HN ASN 58 10.007 1.291 -0.990 422 HA ASN 58 HA ASN 58 12.735 0.517 -0.169 423 HB2 ASN 58 HB2 ASN 58 12.515 1.506 -2.488 424 HB3 ASN 58 HB1 ASN 58 11.993 3.002 -1.722 425 HD21 ASN 58 HD21 ASN 58 13.702 4.224 -2.378 426 HD22 ASN 58 HD22 ASN 58 15.317 3.989 -1.805 427 H LEU 59 HN LEU 59 11.100 0.737 1.868 428 HA LEU 59 HA LEU 59 10.523 3.266 2.914 429 HB2 LEU 59 HB2 LEU 59 11.183 0.740 4.432 430 HB3 LEU 59 HB1 LEU 59 10.366 2.142 5.091 431 HG LEU 59 HG LEU 59 9.282 0.338 2.924 432 HD11 LEU 59 HD11 LEU 59 9.357 -0.722 5.135 433 HD12 LEU 59 HD12 LEU 59 7.703 -0.408 4.610 434 HD13 LEU 59 HD13 LEU 59 8.462 0.640 5.810 435 HD21 LEU 59 HD21 LEU 59 7.196 1.594 3.251 436 HD22 LEU 59 HD22 LEU 59 8.499 2.616 2.649 437 HD23 LEU 59 HD23 LEU 59 8.038 2.688 4.349 438 H GLY 60 HN GLY 60 13.373 1.218 3.242 439 HA2 GLY 60 HA2 GLY 60 15.039 3.531 3.651 440 HA3 GLY 60 HA1 GLY 60 14.913 2.500 5.072 441 HA PRO 61 HA PRO 61 18.490 1.093 2.309 442 HB2 PRO 61 HB2 PRO 61 19.495 0.617 5.050 443 HB3 PRO 61 HB1 PRO 61 20.349 1.238 3.640 444 HG2 PRO 61 HG2 PRO 61 19.607 2.875 5.599 445 HG3 PRO 61 HG1 PRO 61 19.492 3.378 3.902 446 HD2 PRO 61 HD2 PRO 61 17.338 2.527 5.779 447 HD3 PRO 61 HD1 PRO 61 17.299 3.744 4.491 448 H LYS 62 HN LYS 62 17.278 -0.281 5.358 449 HA LYS 62 HA LYS 62 17.320 -2.921 4.059 450 HB2 LYS 62 HB2 LYS 62 17.490 -2.204 6.987 451 HB3 LYS 62 HB1 LYS 62 17.284 -3.843 6.389 452 HG2 LYS 62 HG2 LYS 62 19.408 -3.717 5.229 453 HG3 LYS 62 HG1 LYS 62 19.610 -2.046 5.751 454 HD2 LYS 62 HD2 LYS 62 20.933 -3.332 7.214 455 HD3 LYS 62 HD1 LYS 62 19.486 -2.916 8.126 456 HE2 LYS 62 HE2 LYS 62 19.753 -5.524 6.654 457 HE3 LYS 62 HE1 LYS 62 20.350 -5.315 8.297 458 HZ1 LYS 62 HZ1 LYS 62 18.049 -4.619 8.906 459 HZ2 LYS 62 HZ2 LYS 62 18.191 -6.234 8.432 460 HZ3 LYS 62 HZ3 LYS 62 17.545 -5.100 7.365 461 H SER 63 HN SER 63 15.376 -0.550 5.680 462 HA SER 63 HA SER 63 13.177 -2.214 6.287 463 HB2 SER 63 HB2 SER 63 13.314 0.781 5.915 464 HB3 SER 63 HB1 SER 63 11.945 -0.099 6.589 465 HG SER 63 HG SER 63 14.542 -0.355 7.671 466 H HIS 64 HN HIS 64 11.718 -3.027 5.041 467 HA HIS 64 HA HIS 64 10.890 -1.685 2.595 468 HB2 HIS 64 HB2 HIS 64 11.064 -3.782 1.277 469 HB3 HIS 64 HB1 HIS 64 12.639 -3.210 1.809 470 HD1 HIS 64 HD1 HIS 64 10.043 -5.612 3.252 471 HD2 HIS 64 HD2 HIS 64 14.133 -5.304 2.630 472 HE1 HIS 64 HE1 HIS 64 11.012 -7.723 4.173 473 HE2 HIS 64 HE2 HIS 64 13.481 -7.591 3.648 474 H CYS 65 HN CYS 65 8.751 -2.256 1.963 475 HA CYS 65 HA CYS 65 7.052 -3.324 3.945 476 HB2 CYS 65 HB2 CYS 65 5.339 -3.169 2.225 477 HB3 CYS 65 HB1 CYS 65 6.348 -1.732 2.201 478 HG CYS 65 HG CYS 65 7.066 -4.284 0.112 479 H GLY 66 HN GLY 66 8.041 -5.366 4.494 480 HA2 GLY 66 HA2 GLY 66 7.614 -7.468 2.456 481 HA3 GLY 66 HA1 GLY 66 8.891 -7.528 3.660 482 HA PRO 67 HA PRO 67 6.291 -9.529 6.693 483 HB2 PRO 67 HB2 PRO 67 6.375 -7.127 8.423 484 HB3 PRO 67 HB1 PRO 67 6.809 -8.794 8.789 485 HG2 PRO 67 HG2 PRO 67 8.664 -6.889 8.426 486 HG3 PRO 67 HG1 PRO 67 8.929 -8.580 7.966 487 HD2 PRO 67 HD2 PRO 67 8.401 -6.215 6.259 488 HD3 PRO 67 HD1 PRO 67 9.304 -7.697 5.907 489 H VAL 68 HN VAL 68 5.599 -6.209 5.830 490 HA VAL 68 HA VAL 68 2.875 -6.177 6.667 491 HB VAL 68 HB VAL 68 4.088 -4.515 4.458 492 HG11 VAL 68 HG11 VAL 68 2.378 -2.913 5.028 493 HG12 VAL 68 HG12 VAL 68 1.818 -3.935 6.351 494 HG13 VAL 68 HG13 VAL 68 1.637 -4.476 4.682 495 HG21 VAL 68 HG21 VAL 68 5.520 -4.325 6.408 496 HG22 VAL 68 HG22 VAL 68 4.122 -3.994 7.431 497 HG23 VAL 68 HG23 VAL 68 4.599 -2.838 6.186 498 H ALA 69 HN ALA 69 4.530 -6.757 3.610 499 HA ALA 69 HA ALA 69 2.292 -7.119 1.971 500 HB1 ALA 69 HB1 ALA 69 4.539 -6.801 1.090 501 HB2 ALA 69 HB2 ALA 69 3.843 -8.303 0.476 502 HB3 ALA 69 HB3 ALA 69 5.040 -8.349 1.772 503 H ASP 70 HN ASP 70 4.269 -9.431 3.771 504 HA ASP 70 HA ASP 70 2.811 -11.759 3.175 505 HB2 ASP 70 HB2 ASP 70 5.023 -11.856 4.189 506 HB3 ASP 70 HB1 ASP 70 4.441 -11.007 5.618 507 H ALA 71 HN ALA 71 2.524 -9.420 5.814 508 HA ALA 71 HA ALA 71 0.521 -10.595 7.325 509 HB1 ALA 71 HB1 ALA 71 1.802 -8.593 7.957 510 HB2 ALA 71 HB2 ALA 71 0.062 -8.380 8.163 511 HB3 ALA 71 HB3 ALA 71 0.881 -7.657 6.776 512 H LEU 72 HN LEU 72 0.216 -8.316 4.629 513 HA LEU 72 HA LEU 72 -2.598 -8.296 4.537 514 HB2 LEU 72 HB2 LEU 72 -0.524 -7.686 2.444 515 HB3 LEU 72 HB1 LEU 72 -2.238 -7.366 2.251 516 HG LEU 72 HG LEU 72 -0.513 -6.161 4.413 517 HD11 LEU 72 HD11 LEU 72 -1.501 -4.997 1.825 518 HD12 LEU 72 HD12 LEU 72 0.173 -5.363 2.259 519 HD13 LEU 72 HD13 LEU 72 -0.708 -4.102 3.128 520 HD21 LEU 72 HD21 LEU 72 -2.801 -6.310 5.103 521 HD22 LEU 72 HD22 LEU 72 -3.361 -5.700 3.548 522 HD23 LEU 72 HD23 LEU 72 -2.472 -4.637 4.645 523 H LYS 73 HN LYS 73 -0.154 -10.151 2.797 524 HA LYS 73 HA LYS 73 -1.834 -11.553 1.084 525 HB2 LYS 73 HB2 LYS 73 0.893 -11.930 2.197 526 HB3 LYS 73 HB1 LYS 73 0.166 -13.245 1.312 527 HG2 LYS 73 HG2 LYS 73 0.646 -10.459 0.295 528 HG3 LYS 73 HG1 LYS 73 1.543 -11.905 -0.145 529 HD2 LYS 73 HD2 LYS 73 -0.475 -12.863 -1.146 530 HD3 LYS 73 HD1 LYS 73 -1.378 -11.414 -0.704 531 HE2 LYS 73 HE2 LYS 73 0.107 -10.068 -2.113 532 HE3 LYS 73 HE1 LYS 73 0.989 -11.525 -2.566 533 HZ1 LYS 73 HZ1 LYS 73 -1.848 -10.906 -3.179 534 HZ2 LYS 73 HZ2 LYS 73 -1.111 -12.392 -3.496 535 HZ3 LYS 73 HZ3 LYS 73 -0.563 -10.995 -4.282 536 H GLN 74 HN GLN 74 -0.960 -12.099 4.434 537 HA GLN 74 HA GLN 74 -2.028 -14.734 4.589 538 HB2 GLN 74 HB2 GLN 74 -1.297 -12.696 6.681 539 HB3 GLN 74 HB1 GLN 74 -1.977 -14.266 7.098 540 HG2 GLN 74 HG2 GLN 74 0.585 -13.766 5.601 541 HG3 GLN 74 HG1 GLN 74 0.430 -14.312 7.270 542 HE21 GLN 74 HE21 GLN 74 -0.189 -16.418 7.686 543 HE22 GLN 74 HE22 GLN 74 -0.175 -17.648 6.471 544 H ARG 75 HN ARG 75 -3.386 -11.530 5.085 545 HA ARG 75 HA ARG 75 -5.918 -12.686 5.953 546 HB2 ARG 75 HB2 ARG 75 -5.086 -9.813 5.565 547 HB3 ARG 75 HB1 ARG 75 -6.639 -10.336 6.194 548 HG2 ARG 75 HG2 ARG 75 -5.447 -11.418 8.078 549 HG3 ARG 75 HG1 ARG 75 -3.945 -10.719 7.468 550 HD2 ARG 75 HD2 ARG 75 -4.820 -8.491 7.730 551 HD3 ARG 75 HD1 ARG 75 -6.393 -9.125 8.199 552 HE ARG 75 HE ARG 75 -4.264 -9.993 9.914 553 HH11 ARG 75 HH11 ARG 75 -6.522 -7.414 9.233 554 HH12 ARG 75 HH12 ARG 75 -6.515 -6.802 10.855 555 HH21 ARG 75 HH21 ARG 75 -4.285 -9.208 12.075 556 HH22 ARG 75 HH22 ARG 75 -5.274 -7.844 12.475 557 H ALA 76 HN ALA 76 -4.454 -12.295 3.102 558 HA ALA 76 HA ALA 76 -5.082 -12.252 0.930 559 HB1 ALA 76 HB1 ALA 76 -6.705 -13.953 1.634 560 HB2 ALA 76 HB2 ALA 76 -7.334 -12.939 0.335 561 HB3 ALA 76 HB3 ALA 76 -7.872 -12.681 1.993 562 H ILE 77 HN ILE 77 -4.868 -9.788 2.378 563 HA ILE 77 HA ILE 77 -6.977 -8.068 1.359 564 HB ILE 77 HB ILE 77 -4.430 -7.393 2.847 565 HG12 ILE 77 HG12 ILE 77 -7.246 -7.478 3.927 566 HG13 ILE 77 HG11 ILE 77 -6.141 -8.844 4.040 567 HG21 ILE 77 HG21 ILE 77 -5.527 -5.239 3.293 568 HG22 ILE 77 HG22 ILE 77 -6.869 -5.724 2.254 569 HG23 ILE 77 HG23 ILE 77 -5.260 -5.505 1.569 570 HD11 ILE 77 HD11 ILE 77 -5.688 -6.111 5.215 571 HD12 ILE 77 HD12 ILE 77 -4.593 -7.491 5.338 572 HD13 ILE 77 HD13 ILE 77 -6.182 -7.557 6.096 573 HA PRO 78 HA PRO 78 -4.649 -7.185 -2.333 574 HB2 PRO 78 HB2 PRO 78 -6.228 -5.145 -3.219 575 HB3 PRO 78 HB1 PRO 78 -6.576 -6.855 -3.462 576 HG2 PRO 78 HG2 PRO 78 -7.815 -4.924 -1.625 577 HG3 PRO 78 HG1 PRO 78 -8.472 -6.421 -2.297 578 HD2 PRO 78 HD2 PRO 78 -7.487 -6.034 0.305 579 HD3 PRO 78 HD1 PRO 78 -7.884 -7.582 -0.454 580 H PHE 79 HN PHE 79 -3.089 -5.788 -2.909 581 HA PHE 79 HA PHE 79 -2.997 -3.086 -1.955 582 HB2 PHE 79 HB2 PHE 79 -0.863 -3.287 -0.762 583 HB3 PHE 79 HB1 PHE 79 -2.162 -4.153 0.029 584 HD1 PHE 79 HD2 PHE 79 -2.279 -6.657 -0.251 585 HD2 PHE 79 HD1 PHE 79 1.104 -4.344 -1.362 586 HE1 PHE 79 HE2 PHE 79 -0.886 -8.688 -0.207 587 HE2 PHE 79 HE1 PHE 79 2.506 -6.361 -1.318 588 HZ PHE 79 HZ PHE 79 1.512 -8.538 -0.742 589 H ILE 80 HN ILE 80 -1.164 -1.932 -2.780 590 HA ILE 80 HA ILE 80 0.031 -3.217 -5.156 591 HB ILE 80 HB ILE 80 -0.933 -0.361 -4.931 592 HG12 ILE 80 HG12 ILE 80 -1.932 -2.715 -6.534 593 HG13 ILE 80 HG11 ILE 80 -2.788 -1.855 -5.260 594 HG21 ILE 80 HG21 ILE 80 1.103 -0.468 -6.246 595 HG22 ILE 80 HG22 ILE 80 -0.286 -0.137 -7.284 596 HG23 ILE 80 HG23 ILE 80 0.414 -1.757 -7.236 597 HD11 ILE 80 HD11 ILE 80 -3.632 -1.257 -7.447 598 HD12 ILE 80 HD12 ILE 80 -2.022 -0.730 -7.939 599 HD13 ILE 80 HD13 ILE 80 -2.881 0.133 -6.663 600 H LEU 81 HN LEU 81 2.183 -2.823 -5.492 601 HA LEU 81 HA LEU 81 3.596 -1.580 -3.271 602 HB2 LEU 81 HB2 LEU 81 4.659 -3.039 -5.693 603 HB3 LEU 81 HB1 LEU 81 5.645 -2.419 -4.388 604 HG LEU 81 HG LEU 81 5.497 -4.671 -3.898 605 HD11 LEU 81 HD11 LEU 81 4.899 -3.350 -1.948 606 HD12 LEU 81 HD12 LEU 81 4.067 -4.906 -1.936 607 HD13 LEU 81 HD13 LEU 81 3.194 -3.443 -2.393 608 HD21 LEU 81 HD21 LEU 81 2.561 -4.629 -4.562 609 HD22 LEU 81 HD22 LEU 81 3.520 -6.035 -4.097 610 HD23 LEU 81 HD23 LEU 81 3.843 -5.213 -5.623 611 H HIS 82 HN HIS 82 3.835 0.522 -3.355 612 HA HIS 82 HA HIS 82 4.195 1.793 -5.971 613 HB2 HIS 82 HB2 HIS 82 2.309 2.657 -4.710 614 HB3 HIS 82 HB1 HIS 82 3.317 2.942 -3.301 615 HD1 HIS 82 HD1 HIS 82 2.560 5.454 -3.378 616 HD2 HIS 82 HD2 HIS 82 4.728 4.195 -6.688 617 HE1 HIS 82 HE1 HIS 82 3.167 7.546 -4.630 618 HE2 HIS 82 HE2 HIS 82 4.688 6.771 -6.467 619 H THR 83 HN THR 83 6.315 1.479 -6.336 620 HA THR 83 HA THR 83 8.220 2.790 -4.537 621 HB THR 83 HB THR 83 8.248 0.416 -3.910 622 HG1 THR 83 HG1 THR 83 10.268 1.560 -3.982 623 HG21 THR 83 HG21 THR 83 8.941 -0.122 -6.798 624 HG22 THR 83 HG22 THR 83 7.380 -0.460 -6.049 625 HG23 THR 83 HG23 THR 83 8.826 -1.318 -5.506 626 H GLY 84 HN GLY 84 10.301 3.218 -5.595 627 HA2 GLY 84 HA2 GLY 84 10.077 3.269 -8.543 628 HA3 GLY 84 HA1 GLY 84 10.942 4.475 -7.603 629 H ASP 85 HN ASP 85 11.369 1.410 -6.320 630 HA ASP 85 HA ASP 85 13.881 1.049 -7.813 631 HB2 ASP 85 HB2 ASP 85 13.389 1.040 -4.870 632 HB3 ASP 85 HB1 ASP 85 14.598 -0.066 -5.515 633 H LEU 86 HN LEU 86 12.055 -0.218 -8.974 634 HA LEU 86 HA LEU 86 11.235 -2.708 -7.880 635 HB2 LEU 86 HB2 LEU 86 11.374 -1.748 -10.740 636 HB3 LEU 86 HB1 LEU 86 10.686 -3.285 -10.262 637 HG LEU 86 HG LEU 86 9.052 -1.942 -8.829 638 HD11 LEU 86 HD11 LEU 86 10.222 0.183 -8.816 639 HD12 LEU 86 HD12 LEU 86 8.636 0.359 -9.568 640 HD13 LEU 86 HD13 LEU 86 10.084 0.291 -10.571 641 HD21 LEU 86 HD21 LEU 86 8.967 -1.659 -11.828 642 HD22 LEU 86 HD22 LEU 86 7.589 -1.515 -10.736 643 HD23 LEU 86 HD23 LEU 86 8.427 -3.058 -10.899 644 H ASP 87 HN ASP 87 13.873 -1.669 -9.949 645 HA ASP 87 HA ASP 87 14.807 -4.266 -10.617 646 HB2 ASP 87 HB2 ASP 87 16.666 -3.164 -11.619 647 HB3 ASP 87 HB1 ASP 87 15.266 -2.134 -11.882 648 H ARG 88 HN ARG 88 15.183 -2.284 -7.866 649 HA ARG 88 HA ARG 88 17.576 -3.647 -6.918 650 HB2 ARG 88 HB2 ARG 88 16.989 -1.168 -6.583 651 HB3 ARG 88 HB1 ARG 88 15.927 -1.742 -5.315 652 HG2 ARG 88 HG2 ARG 88 18.021 -1.079 -4.371 653 HG3 ARG 88 HG1 ARG 88 17.842 -2.819 -4.215 654 HD2 ARG 88 HD2 ARG 88 19.349 -1.549 -6.482 655 HD3 ARG 88 HD1 ARG 88 20.119 -1.921 -4.943 656 HE ARG 88 HE ARG 88 19.110 -4.290 -5.527 657 HH11 ARG 88 HH11 ARG 88 20.789 -2.023 -7.598 658 HH12 ARG 88 HH12 ARG 88 21.422 -3.254 -8.640 659 HH21 ARG 88 HH21 ARG 88 19.955 -5.910 -6.889 660 HH22 ARG 88 HH22 ARG 88 20.952 -5.464 -8.240 661 H HIS 89 HN HIS 89 14.172 -3.884 -6.665 662 HA HIS 89 HA HIS 89 14.448 -5.786 -4.427 663 HB2 HIS 89 HB2 HIS 89 12.313 -3.705 -4.867 664 HB3 HIS 89 HB1 HIS 89 12.106 -5.056 -3.763 665 HD1 HIS 89 HD1 HIS 89 13.767 -5.098 -1.670 666 HD2 HIS 89 HD2 HIS 89 13.730 -1.586 -3.886 667 HE1 HIS 89 HE1 HIS 89 14.863 -3.370 -0.213 668 HE2 HIS 89 HE2 HIS 89 15.002 -1.308 -1.652 669 H GLY 90 HN GLY 90 14.391 -6.276 -7.311 670 HA2 GLY 90 HA2 GLY 90 11.883 -7.051 -8.262 671 HA3 GLY 90 HA1 GLY 90 13.413 -7.703 -8.816 672 H GLU 91 HN GLU 91 14.234 -8.844 -6.352 673 HA GLU 91 HA GLU 91 12.909 -11.340 -6.484 674 HB2 GLU 91 HB2 GLU 91 15.265 -11.108 -5.828 675 HB3 GLU 91 HB1 GLU 91 14.776 -10.263 -4.367 676 HG2 GLU 91 HG2 GLU 91 13.582 -12.280 -3.627 677 HG3 GLU 91 HG1 GLU 91 14.152 -13.121 -5.067 678 H LEU 92 HN LEU 92 12.854 -8.719 -4.090 679 HA LEU 92 HA LEU 92 11.113 -9.931 -2.256 680 HB2 LEU 92 HB2 LEU 92 12.429 -7.926 -1.753 681 HB3 LEU 92 HB1 LEU 92 11.465 -7.001 -2.886 682 HG LEU 92 HG LEU 92 9.470 -7.416 -1.453 683 HD11 LEU 92 HD11 LEU 92 9.801 -8.228 0.820 684 HD12 LEU 92 HD12 LEU 92 11.499 -8.548 0.469 685 HD13 LEU 92 HD13 LEU 92 10.237 -9.463 -0.360 686 HD21 LEU 92 HD21 LEU 92 10.838 -5.367 -1.300 687 HD22 LEU 92 HD22 LEU 92 11.774 -6.125 -0.012 688 HD23 LEU 92 HD23 LEU 92 10.059 -5.797 0.222 689 H LEU 93 HN LEU 93 10.501 -7.962 -5.116 690 HA LEU 93 HA LEU 93 7.740 -7.654 -4.799 691 HB2 LEU 93 HB2 LEU 93 9.408 -7.783 -7.309 692 HB3 LEU 93 HB1 LEU 93 7.750 -7.226 -7.239 693 HG LEU 93 HG LEU 93 9.981 -5.925 -5.695 694 HD11 LEU 93 HD11 LEU 93 10.500 -5.741 -8.040 695 HD12 LEU 93 HD12 LEU 93 9.937 -4.186 -7.429 696 HD13 LEU 93 HD13 LEU 93 8.859 -5.199 -8.393 697 HD21 LEU 93 HD21 LEU 93 7.190 -5.035 -6.404 698 HD22 LEU 93 HD22 LEU 93 8.396 -4.052 -5.574 699 HD23 LEU 93 HD23 LEU 93 7.766 -5.508 -4.805 700 H ARG 94 HN ARG 94 9.654 -10.283 -6.121 701 HA ARG 94 HA ARG 94 7.436 -11.741 -7.174 702 HB2 ARG 94 HB2 ARG 94 10.207 -12.665 -6.389 703 HB3 ARG 94 HB1 ARG 94 9.036 -13.638 -7.270 704 HG2 ARG 94 HG2 ARG 94 9.096 -12.117 -9.132 705 HG3 ARG 94 HG1 ARG 94 10.143 -11.014 -8.241 706 HD2 ARG 94 HD2 ARG 94 11.447 -12.312 -9.813 707 HD3 ARG 94 HD1 ARG 94 11.878 -12.750 -8.160 708 HE ARG 94 HE ARG 94 9.890 -14.508 -9.058 709 HH11 ARG 94 HH11 ARG 94 13.241 -13.719 -9.686 710 HH12 ARG 94 HH12 ARG 94 13.646 -15.312 -10.242 711 HH21 ARG 94 HH21 ARG 94 10.422 -16.615 -9.780 712 HH22 ARG 94 HH22 ARG 94 12.046 -16.967 -10.274 713 H LYS 95 HN LYS 95 9.221 -11.760 -4.128 714 HA LYS 95 HA LYS 95 7.923 -13.876 -2.844 715 HB2 LYS 95 HB2 LYS 95 8.966 -11.289 -1.683 716 HB3 LYS 95 HB1 LYS 95 8.487 -12.682 -0.729 717 HG2 LYS 95 HG2 LYS 95 10.264 -14.004 -1.787 718 HG3 LYS 95 HG1 LYS 95 10.753 -12.576 -2.707 719 HD2 LYS 95 HD2 LYS 95 11.224 -11.383 -0.639 720 HD3 LYS 95 HD1 LYS 95 10.686 -12.772 0.303 721 HE2 LYS 95 HE2 LYS 95 12.499 -14.113 -0.674 722 HE3 LYS 95 HE1 LYS 95 13.046 -12.697 -1.572 723 HZ1 LYS 95 HZ1 LYS 95 12.917 -12.912 1.388 724 HZ2 LYS 95 HZ2 LYS 95 13.467 -11.570 0.521 725 HZ3 LYS 95 HZ3 LYS 95 14.323 -13.025 0.459 726 H ILE 96 HN ILE 96 7.095 -10.496 -3.140 727 HA ILE 96 HA ILE 96 4.764 -10.572 -1.522 728 HB ILE 96 HB ILE 96 5.657 -8.598 -3.628 729 HG12 ILE 96 HG12 ILE 96 5.854 -8.468 -0.609 730 HG13 ILE 96 HG11 ILE 96 7.190 -8.853 -1.689 731 HG21 ILE 96 HG21 ILE 96 3.476 -8.410 -1.569 732 HG22 ILE 96 HG22 ILE 96 3.298 -8.391 -3.324 733 HG23 ILE 96 HG23 ILE 96 4.092 -7.048 -2.501 734 HD11 ILE 96 HD11 ILE 96 7.246 -6.531 -0.930 735 HD12 ILE 96 HD12 ILE 96 5.666 -6.258 -1.668 736 HD13 ILE 96 HD13 ILE 96 7.057 -6.648 -2.680 737 H ASP 97 HN ASP 97 5.206 -10.251 -5.041 738 HA ASP 97 HA ASP 97 3.877 -10.663 -6.814 739 HB2 ASP 97 HB2 ASP 97 3.918 -12.985 -6.032 740 HB3 ASP 97 HB1 ASP 97 2.535 -12.665 -4.989 741 H ALA 98 HN ALA 98 3.092 -8.558 -6.659 742 HA ALA 98 HA ALA 98 0.239 -8.401 -6.633 743 HB1 ALA 98 HB1 ALA 98 0.068 -6.621 -4.937 744 HB2 ALA 98 HB2 ALA 98 1.774 -6.833 -4.551 745 HB3 ALA 98 HB3 ALA 98 0.632 -8.137 -4.233 746 HA PRO 99 HA PRO 99 0.988 -5.283 -9.646 747 HB2 PRO 99 HB2 PRO 99 -0.836 -3.446 -8.189 748 HB3 PRO 99 HB1 PRO 99 -0.899 -3.993 -9.867 749 HG2 PRO 99 HG2 PRO 99 -2.598 -4.970 -8.091 750 HG3 PRO 99 HG1 PRO 99 -1.843 -6.034 -9.288 751 HD2 PRO 99 HD2 PRO 99 -1.162 -5.670 -6.399 752 HD3 PRO 99 HD1 PRO 99 -1.271 -7.166 -7.350 753 H VAL 100 HN VAL 100 2.286 -3.526 -10.051 754 HA VAL 100 HA VAL 100 3.350 -2.129 -7.686 755 HB VAL 100 HB VAL 100 4.939 -2.883 -10.146 756 HG11 VAL 100 HG11 VAL 100 5.777 -0.894 -9.060 757 HG12 VAL 100 HG12 VAL 100 6.875 -2.241 -8.762 758 HG13 VAL 100 HG13 VAL 100 5.768 -1.708 -7.497 759 HG21 VAL 100 HG21 VAL 100 4.951 -4.162 -7.412 760 HG22 VAL 100 HG22 VAL 100 6.061 -4.539 -8.729 761 HG23 VAL 100 HG23 VAL 100 4.340 -4.889 -8.897 762 H MET 101 HN MET 101 3.367 0.021 -7.768 763 HA MET 101 HA MET 101 2.930 1.357 -10.362 764 HB2 MET 101 HB2 MET 101 2.106 2.188 -7.573 765 HB3 MET 101 HB1 MET 101 2.064 3.279 -8.950 766 HG2 MET 101 HG2 MET 101 0.595 0.664 -8.930 767 HG3 MET 101 HG1 MET 101 -0.108 2.149 -8.295 768 HE1 MET 101 HE1 MET 101 -0.585 4.375 -11.394 769 HE2 MET 101 HE2 MET 101 0.553 4.456 -10.050 770 HE3 MET 101 HE3 MET 101 -1.136 4.040 -9.752 771 H ALA 102 HN ALA 102 4.828 2.047 -11.069 772 HA ALA 102 HA ALA 102 7.096 2.368 -9.400 773 HB1 ALA 102 HB1 ALA 102 6.704 3.230 -12.261 774 HB2 ALA 102 HB2 ALA 102 7.251 1.641 -11.729 775 HB3 ALA 102 HB3 ALA 102 8.248 3.063 -11.426 776 H LYS 103 HN LYS 103 8.222 4.177 -8.790 777 HA LYS 103 HA LYS 103 6.698 6.660 -8.665 778 HB2 LYS 103 HB2 LYS 103 9.277 5.802 -7.340 779 HB3 LYS 103 HB1 LYS 103 8.570 7.398 -7.154 780 HG2 LYS 103 HG2 LYS 103 6.551 6.353 -6.194 781 HG3 LYS 103 HG1 LYS 103 7.350 4.784 -6.301 782 HD2 LYS 103 HD2 LYS 103 9.026 5.444 -4.739 783 HD3 LYS 103 HD1 LYS 103 8.494 7.126 -4.787 784 HE2 LYS 103 HE2 LYS 103 6.385 6.517 -3.753 785 HE3 LYS 103 HE1 LYS 103 6.844 4.815 -3.771 786 HZ1 LYS 103 HZ1 LYS 103 7.134 6.027 -1.600 787 HZ2 LYS 103 HZ2 LYS 103 8.431 6.860 -2.317 788 HZ3 LYS 103 HZ3 LYS 103 8.485 5.168 -2.157 789 HA PRO 104 HA PRO 104 7.133 8.827 -8.289 790 HB2 PRO 104 HB2 PRO 104 6.572 10.775 -10.372 791 HB3 PRO 104 HB1 PRO 104 7.350 11.019 -8.807 792 HG2 PRO 104 HG2 PRO 104 8.690 11.215 -11.153 793 HG3 PRO 104 HG1 PRO 104 9.455 10.670 -9.651 794 HD2 PRO 104 HD2 PRO 104 8.433 9.043 -11.954 795 HD3 PRO 104 HD1 PRO 104 9.938 8.859 -11.025 796 H ALA 105 HN ALA 105 4.974 8.699 -8.046 797 HA ALA 105 HA ALA 105 3.317 8.123 -10.404 798 HB1 ALA 105 HB1 ALA 105 3.215 6.626 -7.779 799 HB2 ALA 105 HB2 ALA 105 3.810 5.987 -9.317 800 HB3 ALA 105 HB3 ALA 105 2.104 6.409 -9.139 801 H ASP 106 HN ASP 106 1.419 9.200 -10.409 802 HA ASP 106 HA ASP 106 0.898 11.132 -8.373 803 HB2 ASP 106 HB2 ASP 106 0.209 11.293 -10.845 804 HB3 ASP 106 HB1 ASP 106 -1.108 10.199 -10.432 805 H THR 107 HN THR 107 -0.275 10.941 -6.620 806 HA THR 107 HA THR 107 -0.738 8.372 -5.615 807 HB THR 107 HB THR 107 -1.774 9.633 -3.682 808 HG1 THR 107 HG1 THR 107 -2.250 11.671 -4.022 809 HG21 THR 107 HG21 THR 107 0.617 8.997 -3.845 810 HG22 THR 107 HG22 THR 107 0.376 10.503 -2.963 811 HG23 THR 107 HG23 THR 107 0.946 10.543 -4.634 812 H SER 108 HN SER 108 -2.826 10.493 -7.395 813 HA SER 108 HA SER 108 -5.278 9.349 -6.494 814 HB2 SER 108 HB2 SER 108 -6.241 10.389 -8.546 815 HB3 SER 108 HB1 SER 108 -5.293 11.521 -7.583 816 HG SER 108 HG SER 108 -4.745 10.392 -10.084 817 H ASP 109 HN ASP 109 -3.030 8.665 -9.122 818 HA ASP 109 HA ASP 109 -4.597 6.634 -10.359 819 HB2 ASP 109 HB2 ASP 109 -1.622 7.158 -10.452 820 HB3 ASP 109 HB1 ASP 109 -2.455 5.981 -11.460 821 H VAL 110 HN VAL 110 -2.084 6.676 -7.928 822 HA VAL 110 HA VAL 110 -1.826 3.884 -7.628 823 HB VAL 110 HB VAL 110 -1.408 5.954 -5.466 824 HG11 VAL 110 HG11 VAL 110 -0.083 3.284 -5.915 825 HG12 VAL 110 HG12 VAL 110 -1.401 3.577 -4.779 826 HG13 VAL 110 HG13 VAL 110 0.158 4.374 -4.548 827 HG21 VAL 110 HG21 VAL 110 0.914 6.088 -6.239 828 HG22 VAL 110 HG22 VAL 110 -0.218 6.638 -7.478 829 HG23 VAL 110 HG23 VAL 110 0.517 5.039 -7.601 830 H ALA 111 HN ALA 111 -3.811 6.311 -5.973 831 HA ALA 111 HA ALA 111 -5.002 4.625 -4.076 832 HB1 ALA 111 HB1 ALA 111 -6.672 6.383 -3.818 833 HB2 ALA 111 HB2 ALA 111 -6.118 7.140 -5.311 834 HB3 ALA 111 HB3 ALA 111 -5.048 7.063 -3.911 835 H LYS 112 HN LYS 112 -6.171 5.706 -7.252 836 HA LYS 112 HA LYS 112 -8.642 4.429 -7.171 837 HB2 LYS 112 HB2 LYS 112 -6.878 5.203 -9.484 838 HB3 LYS 112 HB1 LYS 112 -8.475 4.499 -9.710 839 HG2 LYS 112 HG2 LYS 112 -9.492 6.347 -8.520 840 HG3 LYS 112 HG1 LYS 112 -7.902 7.039 -8.195 841 HD2 LYS 112 HD2 LYS 112 -7.529 7.368 -10.565 842 HD3 LYS 112 HD1 LYS 112 -9.064 6.585 -10.940 843 HE2 LYS 112 HE2 LYS 112 -8.746 9.122 -9.342 844 HE3 LYS 112 HE1 LYS 112 -9.193 9.046 -11.045 845 HZ1 LYS 112 HZ1 LYS 112 -11.152 7.728 -10.374 846 HZ2 LYS 112 HZ2 LYS 112 -11.157 9.294 -9.742 847 HZ3 LYS 112 HZ3 LYS 112 -10.751 7.985 -8.747 848 H ARG 113 HN ARG 113 -5.577 3.249 -8.568 849 HA ARG 113 HA ARG 113 -6.612 0.814 -9.494 850 HB2 ARG 113 HB2 ARG 113 -3.811 1.620 -8.760 851 HB3 ARG 113 HB1 ARG 113 -4.210 0.055 -9.458 852 HG2 ARG 113 HG2 ARG 113 -4.774 2.722 -10.733 853 HG3 ARG 113 HG1 ARG 113 -3.445 1.643 -11.136 854 HD2 ARG 113 HD2 ARG 113 -4.989 -0.068 -11.860 855 HD3 ARG 113 HD1 ARG 113 -6.358 0.921 -11.360 856 HE ARG 113 HE ARG 113 -4.987 2.473 -13.146 857 HH11 ARG 113 HH11 ARG 113 -6.432 -0.715 -13.243 858 HH12 ARG 113 HH12 ARG 113 -6.847 -0.612 -14.925 859 HH21 ARG 113 HH21 ARG 113 -5.537 2.618 -15.350 860 HH22 ARG 113 HH22 ARG 113 -6.326 1.281 -16.126 861 H ALA 114 HN ALA 114 -5.156 1.670 -6.387 862 HA ALA 114 HA ALA 114 -5.103 -0.934 -5.311 863 HB1 ALA 114 HB1 ALA 114 -5.357 1.727 -3.911 864 HB2 ALA 114 HB2 ALA 114 -3.858 0.870 -4.272 865 HB3 ALA 114 HB3 ALA 114 -5.008 0.193 -3.112 866 H LEU 115 HN LEU 115 -7.524 1.653 -5.110 867 HA LEU 115 HA LEU 115 -9.363 0.189 -3.554 868 HB2 LEU 115 HB2 LEU 115 -9.711 2.590 -5.321 869 HB3 LEU 115 HB1 LEU 115 -10.978 1.946 -4.293 870 HG LEU 115 HG LEU 115 -8.317 3.010 -3.343 871 HD11 LEU 115 HD11 LEU 115 -9.681 4.781 -2.336 872 HD12 LEU 115 HD12 LEU 115 -11.098 4.126 -3.159 873 HD13 LEU 115 HD13 LEU 115 -9.757 4.782 -4.100 874 HD21 LEU 115 HD21 LEU 115 -9.265 2.756 -1.100 875 HD22 LEU 115 HD22 LEU 115 -9.116 1.207 -1.924 876 HD23 LEU 115 HD23 LEU 115 -10.689 1.986 -1.794 877 H GLU 116 HN GLU 116 -8.747 0.280 -6.981 878 HA GLU 116 HA GLU 116 -11.131 -0.857 -7.923 879 HB2 GLU 116 HB2 GLU 116 -8.293 -1.114 -8.916 880 HB3 GLU 116 HB1 GLU 116 -9.672 -1.784 -9.773 881 HG2 GLU 116 HG2 GLU 116 -9.232 1.122 -9.139 882 HG3 GLU 116 HG1 GLU 116 -8.989 0.352 -10.705 883 H MET 117 HN MET 117 -8.259 -2.317 -6.499 884 HA MET 117 HA MET 117 -9.182 -5.008 -6.941 885 HB2 MET 117 HB2 MET 117 -6.950 -3.990 -5.183 886 HB3 MET 117 HB1 MET 117 -7.229 -5.671 -5.617 887 HG2 MET 117 HG2 MET 117 -6.916 -5.011 -8.006 888 HG3 MET 117 HG1 MET 117 -6.427 -3.419 -7.434 889 HE1 MET 117 HE1 MET 117 -3.274 -4.379 -5.251 890 HE2 MET 117 HE2 MET 117 -4.923 -4.528 -4.643 891 HE3 MET 117 HE3 MET 117 -4.464 -3.130 -5.616 892 H CYS 118 HN CYS 118 -9.921 -2.598 -4.757 893 HA CYS 118 HA CYS 118 -10.494 -4.360 -2.520 894 HB2 CYS 118 HB2 CYS 118 -9.566 -2.056 -2.190 895 HB3 CYS 118 HB1 CYS 118 -11.068 -1.403 -2.824 896 HG CYS 118 HG CYS 118 -12.458 -2.960 -0.677 897 H GLY 119 HN GLY 119 -11.884 -4.327 -5.259 898 HA2 GLY 119 HA2 GLY 119 -14.609 -3.652 -4.731 899 HA3 GLY 119 HA1 GLY 119 -14.019 -4.621 -6.075 900 H GLY 120 HN GLY 120 -15.059 -4.668 -2.740 901 HA2 GLY 120 HA2 GLY 120 -16.073 -6.354 -1.534 902 HA3 GLY 120 HA1 GLY 120 -16.014 -7.365 -2.973 903 H ASP 121 HN ASP 121 -14.226 -8.646 -3.364 904 HA ASP 121 HA ASP 121 -11.968 -8.623 -1.559 905 HB2 ASP 121 HB2 ASP 121 -12.256 -10.862 -0.697 906 HB3 ASP 121 HB1 ASP 121 -13.707 -9.940 -0.321 907 H LYS 122 HN LYS 122 -12.616 -8.360 -4.430 908 HA LYS 122 HA LYS 122 -10.868 -10.471 -5.450 909 HB2 LYS 122 HB2 LYS 122 -13.205 -11.219 -5.777 910 HB3 LYS 122 HB1 LYS 122 -13.534 -9.750 -6.682 911 HG2 LYS 122 HG2 LYS 122 -13.121 -11.075 -8.443 912 HG3 LYS 122 HG1 LYS 122 -11.445 -10.673 -8.081 913 HD2 LYS 122 HD2 LYS 122 -12.867 -13.117 -7.028 914 HD3 LYS 122 HD1 LYS 122 -11.878 -13.103 -8.484 915 HE2 LYS 122 HE2 LYS 122 -10.356 -13.847 -6.946 916 HE3 LYS 122 HE1 LYS 122 -10.068 -12.113 -6.864 917 HZ1 LYS 122 HZ1 LYS 122 -11.427 -11.996 -4.890 918 HZ2 LYS 122 HZ2 LYS 122 -10.221 -13.153 -4.669 919 HZ3 LYS 122 HZ3 LYS 122 -11.803 -13.637 -4.999 920 H GLU 123 HN GLU 123 -9.355 -9.677 -6.723 921 HA GLU 123 HA GLU 123 -9.261 -6.987 -7.621 922 HB2 GLU 123 HB2 GLU 123 -7.722 -9.396 -8.611 923 HB3 GLU 123 HB1 GLU 123 -7.290 -7.717 -8.886 924 HG2 GLU 123 HG2 GLU 123 -6.621 -7.398 -6.689 925 HG3 GLU 123 HG1 GLU 123 -7.522 -8.798 -6.108 926 HA PRO 124 HA PRO 124 -11.802 -7.393 -11.251 927 HB2 PRO 124 HB2 PRO 124 -10.853 -5.270 -12.675 928 HB3 PRO 124 HB1 PRO 124 -11.954 -5.106 -11.304 929 HG2 PRO 124 HG2 PRO 124 -8.986 -4.754 -11.406 930 HG3 PRO 124 HG1 PRO 124 -10.200 -3.779 -10.559 931 HD2 PRO 124 HD2 PRO 124 -8.672 -5.621 -9.296 932 HD3 PRO 124 HD1 PRO 124 -10.334 -5.251 -8.793 933 H ALA 125 HN ALA 125 -10.870 -9.379 -11.983 934 HA ALA 125 HA ALA 125 -8.630 -9.159 -13.855 935 HB1 ALA 125 HB1 ALA 125 -9.980 -11.622 -12.751 936 HB2 ALA 125 HB2 ALA 125 -8.498 -10.897 -12.130 937 HB3 ALA 125 HB3 ALA 125 -8.528 -11.590 -13.751 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 -14.858 -2.209 2.911 2 H2 GLY 1 HT2 GLY 1 -15.307 -3.235 1.644 3 H3 GLY 1 HT3 GLY 1 -14.125 -3.724 2.755 4 HA2 GLY 1 HA1 GLY 1 -16.384 -4.732 3.079 5 HA3 GLY 1 HA2 GLY 1 -15.661 -3.960 4.484 6 H ALA 2 HN ALA 2 -18.312 -4.293 4.557 7 HA ALA 2 HA ALA 2 -19.673 -1.941 3.583 8 HB1 ALA 2 HB1 ALA 2 -20.613 -4.080 5.495 9 HB2 ALA 2 HB2 ALA 2 -20.857 -4.077 3.750 10 HB3 ALA 2 HB3 ALA 2 -21.623 -2.842 4.748 11 H MET 3 HN MET 3 -17.595 -1.015 4.942 12 HA MET 3 HA MET 3 -18.470 -0.401 7.685 13 HB2 MET 3 HB2 MET 3 -15.773 0.082 6.410 14 HB3 MET 3 HB1 MET 3 -16.169 0.231 8.114 15 HG2 MET 3 HG2 MET 3 -16.192 -2.327 6.526 16 HG3 MET 3 HG1 MET 3 -14.918 -1.810 7.626 17 HE1 MET 3 HE1 MET 3 -16.700 -1.933 11.093 18 HE2 MET 3 HE2 MET 3 -16.587 -0.534 10.030 19 HE3 MET 3 HE3 MET 3 -15.199 -1.603 10.227 20 H GLY 4 HN GLY 4 -18.616 0.845 4.651 21 HA2 GLY 4 HA2 GLY 4 -19.560 2.996 4.201 22 HA3 GLY 4 HA1 GLY 4 -18.769 3.609 5.648 23 H MET 5 HN MET 5 -16.245 2.979 5.460 24 HA MET 5 HA MET 5 -15.311 3.872 2.810 25 HB2 MET 5 HB2 MET 5 -14.144 4.539 5.508 26 HB3 MET 5 HB1 MET 5 -13.413 4.943 3.963 27 HG2 MET 5 HG2 MET 5 -15.953 6.001 5.132 28 HG3 MET 5 HG1 MET 5 -14.481 6.874 4.753 29 HE1 MET 5 HE1 MET 5 -15.641 8.758 3.446 30 HE2 MET 5 HE2 MET 5 -17.203 8.060 3.868 31 HE3 MET 5 HE3 MET 5 -16.857 8.500 2.197 32 HA PRO 6 HA PRO 6 -12.814 0.162 3.045 33 HB2 PRO 6 HB2 PRO 6 -10.909 1.123 1.198 34 HB3 PRO 6 HB1 PRO 6 -12.240 0.023 0.894 35 HG2 PRO 6 HG2 PRO 6 -11.954 2.728 0.056 36 HG3 PRO 6 HG1 PRO 6 -13.275 1.612 -0.286 37 HD2 PRO 6 HD2 PRO 6 -13.214 3.833 1.518 38 HD3 PRO 6 HD1 PRO 6 -14.583 2.810 1.103 39 H LYS 7 HN LYS 7 -11.161 -0.350 4.334 40 HA LYS 7 HA LYS 7 -9.747 1.835 5.611 41 HB2 LYS 7 HB2 LYS 7 -10.757 -0.264 6.749 42 HB3 LYS 7 HB1 LYS 7 -9.312 -1.083 6.181 43 HG2 LYS 7 HG2 LYS 7 -8.894 -0.422 8.404 44 HG3 LYS 7 HG1 LYS 7 -7.973 0.679 7.373 45 HD2 LYS 7 HD2 LYS 7 -9.836 2.315 7.563 46 HD3 LYS 7 HD1 LYS 7 -10.618 1.229 8.712 47 HE2 LYS 7 HE2 LYS 7 -8.479 1.374 10.071 48 HE3 LYS 7 HE1 LYS 7 -8.020 2.710 9.016 49 HZ1 LYS 7 HZ1 LYS 7 -10.381 2.573 10.800 50 HZ2 LYS 7 HZ2 LYS 7 -10.136 3.806 9.674 51 HZ3 LYS 7 HZ3 LYS 7 -9.047 3.598 10.953 52 H VAL 8 HN VAL 8 -8.090 2.631 4.523 53 HA VAL 8 HA VAL 8 -6.451 0.856 2.860 54 HB VAL 8 HB VAL 8 -6.542 3.877 2.926 55 HG11 VAL 8 HG11 VAL 8 -5.342 3.782 0.832 56 HG12 VAL 8 HG12 VAL 8 -5.340 2.018 0.881 57 HG13 VAL 8 HG13 VAL 8 -4.433 2.936 2.086 58 HG21 VAL 8 HG21 VAL 8 -7.869 3.756 0.900 59 HG22 VAL 8 HG22 VAL 8 -8.683 2.897 2.211 60 HG23 VAL 8 HG23 VAL 8 -7.831 1.992 0.957 61 H LEU 9 HN LEU 9 -4.437 0.341 3.443 62 HA LEU 9 HA LEU 9 -3.164 1.867 5.607 63 HB2 LEU 9 HB2 LEU 9 -3.460 -0.468 6.130 64 HB3 LEU 9 HB1 LEU 9 -2.720 -0.949 4.618 65 HG LEU 9 HG LEU 9 -0.562 -0.088 5.382 66 HD11 LEU 9 HD11 LEU 9 -0.278 0.675 7.682 67 HD12 LEU 9 HD12 LEU 9 -2.016 0.538 7.950 68 HD13 LEU 9 HD13 LEU 9 -1.392 1.722 6.800 69 HD21 LEU 9 HD21 LEU 9 -1.921 -1.953 7.317 70 HD22 LEU 9 HD22 LEU 9 -0.180 -1.705 7.204 71 HD23 LEU 9 HD23 LEU 9 -1.061 -2.398 5.841 72 H VAL 10 HN VAL 10 -1.627 3.255 5.000 73 HA VAL 10 HA VAL 10 -0.246 2.807 2.452 74 HB VAL 10 HB VAL 10 -0.555 5.276 4.154 75 HG11 VAL 10 HG11 VAL 10 1.756 5.216 3.345 76 HG12 VAL 10 HG12 VAL 10 0.829 6.465 2.516 77 HG13 VAL 10 HG13 VAL 10 1.178 4.941 1.702 78 HG21 VAL 10 HG21 VAL 10 -1.285 4.662 1.295 79 HG22 VAL 10 HG22 VAL 10 -1.607 6.174 2.150 80 HG23 VAL 10 HG23 VAL 10 -2.404 4.685 2.659 81 H LEU 11 HN LEU 11 1.698 2.038 2.410 82 HA LEU 11 HA LEU 11 3.447 2.296 4.759 83 HB2 LEU 11 HB2 LEU 11 3.054 0.209 2.772 84 HB3 LEU 11 HB1 LEU 11 4.740 0.677 2.886 85 HG LEU 11 HG LEU 11 4.333 -1.213 4.331 86 HD11 LEU 11 HD11 LEU 11 5.069 -0.292 6.467 87 HD12 LEU 11 HD12 LEU 11 4.571 1.326 5.972 88 HD13 LEU 11 HD13 LEU 11 5.897 0.516 5.136 89 HD21 LEU 11 HD21 LEU 11 1.889 -0.779 4.550 90 HD22 LEU 11 HD22 LEU 11 2.256 0.508 5.700 91 HD23 LEU 11 HD23 LEU 11 2.681 -1.159 6.076 92 H GLU 12 HN GLU 12 4.588 4.087 4.634 93 HA GLU 12 HA GLU 12 6.352 4.608 2.460 94 HB2 GLU 12 HB2 GLU 12 4.358 5.398 1.345 95 HB3 GLU 12 HB1 GLU 12 3.890 6.342 2.750 96 HG2 GLU 12 HG2 GLU 12 4.770 7.738 0.965 97 HG3 GLU 12 HG1 GLU 12 5.764 7.830 2.414 98 H ASP 13 HN ASP 13 8.040 5.686 3.251 99 HA ASP 13 HA ASP 13 7.894 6.614 5.992 100 HB2 ASP 13 HB2 ASP 13 9.795 5.206 5.117 101 HB3 ASP 13 HB1 ASP 13 10.294 6.593 4.166 102 H GLU 14 HN GLU 14 8.139 7.899 2.756 103 HA GLU 14 HA GLU 14 8.719 10.597 3.540 104 HB2 GLU 14 HB2 GLU 14 7.936 9.236 1.020 105 HB3 GLU 14 HB1 GLU 14 7.575 10.949 1.148 106 HG2 GLU 14 HG2 GLU 14 9.666 10.788 0.098 107 HG3 GLU 14 HG1 GLU 14 9.988 11.308 1.745 108 HA PRO 15 HA PRO 15 4.570 11.174 5.184 109 HB2 PRO 15 HB2 PRO 15 5.534 13.924 5.507 110 HB3 PRO 15 HB1 PRO 15 4.844 12.826 6.699 111 HG2 PRO 15 HG2 PRO 15 7.456 13.393 6.705 112 HG3 PRO 15 HG1 PRO 15 6.865 11.765 7.089 113 HD2 PRO 15 HD2 PRO 15 8.083 12.791 4.558 114 HD3 PRO 15 HD1 PRO 15 8.323 11.234 5.376 115 H LEU 16 HN LEU 16 6.157 13.217 2.780 116 HA LEU 16 HA LEU 16 3.831 14.646 2.018 117 HB2 LEU 16 HB2 LEU 16 6.174 15.305 1.480 118 HB3 LEU 16 HB1 LEU 16 6.241 13.974 0.345 119 HG LEU 16 HG LEU 16 5.803 16.362 -0.539 120 HD11 LEU 16 HD11 LEU 16 4.377 15.519 -2.340 121 HD12 LEU 16 HD12 LEU 16 4.051 14.069 -1.390 122 HD13 LEU 16 HD13 LEU 16 5.688 14.406 -1.956 123 HD21 LEU 16 HD21 LEU 16 4.034 16.929 1.037 124 HD22 LEU 16 HD22 LEU 16 3.033 15.636 0.380 125 HD23 LEU 16 HD23 LEU 16 3.464 17.015 -0.629 126 H ILE 17 HN ILE 17 5.461 11.850 0.533 127 HA ILE 17 HA ILE 17 3.497 11.320 -1.398 128 HB ILE 17 HB ILE 17 5.547 9.525 -0.087 129 HG12 ILE 17 HG12 ILE 17 6.534 9.628 -2.415 130 HG13 ILE 17 HG11 ILE 17 5.375 10.894 -2.763 131 HG21 ILE 17 HG21 ILE 17 3.727 8.860 -2.397 132 HG22 ILE 17 HG22 ILE 17 3.688 8.134 -0.789 133 HG23 ILE 17 HG23 ILE 17 5.082 7.877 -1.838 134 HD11 ILE 17 HD11 ILE 17 7.574 10.985 -0.732 135 HD12 ILE 17 HD12 ILE 17 6.368 12.248 -0.970 136 HD13 ILE 17 HD13 ILE 17 7.502 11.857 -2.260 137 H ALA 18 HN ALA 18 3.977 10.127 1.882 138 HA ALA 18 HA ALA 18 1.888 8.275 1.996 139 HB1 ALA 18 HB1 ALA 18 2.972 10.006 4.218 140 HB2 ALA 18 HB2 ALA 18 3.626 8.450 3.705 141 HB3 ALA 18 HB3 ALA 18 2.018 8.536 4.422 142 H MET 19 HN MET 19 1.912 11.694 2.959 143 HA MET 19 HA MET 19 -0.796 11.874 3.642 144 HB2 MET 19 HB2 MET 19 1.002 13.437 4.327 145 HB3 MET 19 HB1 MET 19 1.072 14.026 2.674 146 HG2 MET 19 HG2 MET 19 -1.165 14.857 2.823 147 HG3 MET 19 HG1 MET 19 -1.345 14.156 4.426 148 HE1 MET 19 HE1 MET 19 0.599 16.803 2.272 149 HE2 MET 19 HE2 MET 19 1.907 15.933 3.076 150 HE3 MET 19 HE3 MET 19 1.575 17.612 3.499 151 H ASN 20 HN ASN 20 0.929 12.421 0.616 152 HA ASN 20 HA ASN 20 -1.193 13.540 -0.839 153 HB2 ASN 20 HB2 ASN 20 1.438 12.288 -1.439 154 HB3 ASN 20 HB1 ASN 20 0.309 12.463 -2.761 155 HD21 ASN 20 HD21 ASN 20 1.779 13.916 -3.742 156 HD22 ASN 20 HD22 ASN 20 1.903 15.554 -3.199 157 H LEU 21 HN LEU 21 -0.019 10.181 -0.577 158 HA LEU 21 HA LEU 21 -2.018 9.000 -2.140 159 HB2 LEU 21 HB2 LEU 21 -0.317 8.033 0.127 160 HB3 LEU 21 HB1 LEU 21 -1.532 6.999 -0.587 161 HG LEU 21 HG LEU 21 0.661 8.291 -2.187 162 HD11 LEU 21 HD11 LEU 21 1.626 6.825 -0.478 163 HD12 LEU 21 HD12 LEU 21 1.822 6.172 -2.104 164 HD13 LEU 21 HD13 LEU 21 0.588 5.510 -1.031 165 HD21 LEU 21 HD21 LEU 21 -1.186 5.978 -2.731 166 HD22 LEU 21 HD22 LEU 21 0.051 6.597 -3.825 167 HD23 LEU 21 HD23 LEU 21 -1.339 7.599 -3.406 168 H GLN 22 HN GLN 22 -1.853 9.714 1.305 169 HA GLN 22 HA GLN 22 -4.227 8.590 2.138 170 HB2 GLN 22 HB2 GLN 22 -2.507 9.613 3.612 171 HB3 GLN 22 HB1 GLN 22 -3.063 11.205 3.104 172 HG2 GLN 22 HG2 GLN 22 -5.331 10.558 3.956 173 HG3 GLN 22 HG1 GLN 22 -4.569 9.141 4.651 174 HE21 GLN 22 HE21 GLN 22 -5.947 11.331 5.934 175 HE22 GLN 22 HE22 GLN 22 -4.827 11.986 7.068 176 H TYR 23 HN TYR 23 -3.694 11.910 0.944 177 HA TYR 23 HA TYR 23 -6.392 12.698 1.102 178 HB2 TYR 23 HB2 TYR 23 -4.081 13.713 -0.537 179 HB3 TYR 23 HB1 TYR 23 -5.676 14.443 -0.604 180 HD1 TYR 23 HD2 TYR 23 -6.446 14.263 2.276 181 HD2 TYR 23 HD1 TYR 23 -2.780 15.390 0.436 182 HE1 TYR 23 HE2 TYR 23 -5.890 15.630 4.239 183 HE2 TYR 23 HE1 TYR 23 -2.215 16.757 2.395 184 HH TYR 23 HH TYR 23 -3.951 16.560 5.335 185 H ALA 24 HN ALA 24 -4.598 10.974 -1.334 186 HA ALA 24 HA ALA 24 -6.465 11.289 -3.446 187 HB1 ALA 24 HB1 ALA 24 -4.408 9.129 -2.998 188 HB2 ALA 24 HB2 ALA 24 -4.154 10.648 -3.859 189 HB3 ALA 24 HB3 ALA 24 -5.263 9.440 -4.508 190 H PHE 25 HN PHE 25 -5.996 8.803 -0.966 191 HA PHE 25 HA PHE 25 -8.095 7.129 -1.909 192 HB2 PHE 25 HB2 PHE 25 -6.543 7.271 0.661 193 HB3 PHE 25 HB1 PHE 25 -7.887 6.154 0.468 194 HD1 PHE 25 HD2 PHE 25 -7.779 4.413 -1.326 195 HD2 PHE 25 HD1 PHE 25 -4.442 6.823 -0.264 196 HE1 PHE 25 HE2 PHE 25 -6.270 2.802 -2.421 197 HE2 PHE 25 HE1 PHE 25 -2.932 5.227 -1.362 198 HZ PHE 25 HZ PHE 25 -3.869 3.184 -2.434 199 H GLU 26 HN GLU 26 -7.888 9.606 0.628 200 HA GLU 26 HA GLU 26 -10.559 9.312 1.509 201 HB2 GLU 26 HB2 GLU 26 -8.790 11.760 1.600 202 HB3 GLU 26 HB1 GLU 26 -10.284 11.550 2.503 203 HG2 GLU 26 HG2 GLU 26 -9.225 9.547 3.583 204 HG3 GLU 26 HG1 GLU 26 -7.710 10.037 2.828 205 H ASP 27 HN ASP 27 -9.095 10.960 -1.165 206 HA ASP 27 HA ASP 27 -11.307 12.574 -1.911 207 HB2 ASP 27 HB2 ASP 27 -9.032 13.018 -2.697 208 HB3 ASP 27 HB1 ASP 27 -9.040 11.500 -3.572 209 H GLU 28 HN GLU 28 -10.350 9.272 -2.578 210 HA GLU 28 HA GLU 28 -12.511 8.846 -4.458 211 HB2 GLU 28 HB2 GLU 28 -10.481 7.010 -3.194 212 HB3 GLU 28 HB1 GLU 28 -11.776 6.416 -4.221 213 HG2 GLU 28 HG2 GLU 28 -9.676 8.399 -5.051 214 HG3 GLU 28 HG1 GLU 28 -9.656 6.679 -5.419 215 H GLY 29 HN GLY 29 -12.376 9.227 -1.223 216 HA2 GLY 29 HA2 GLY 29 -14.111 8.986 0.306 217 HA3 GLY 29 HA1 GLY 29 -14.932 7.923 -0.828 218 H ALA 30 HN ALA 30 -11.865 7.927 1.012 219 HA ALA 30 HA ALA 30 -12.704 5.419 2.247 220 HB1 ALA 30 HB1 ALA 30 -11.399 4.778 0.263 221 HB2 ALA 30 HB2 ALA 30 -10.583 4.322 1.758 222 HB3 ALA 30 HB3 ALA 30 -10.043 5.738 0.854 223 H GLU 31 HN GLU 31 -11.014 4.736 3.935 224 HA GLU 31 HA GLU 31 -10.017 7.141 5.314 225 HB2 GLU 31 HB2 GLU 31 -11.831 6.119 6.569 226 HB3 GLU 31 HB1 GLU 31 -11.042 4.548 6.486 227 HG2 GLU 31 HG2 GLU 31 -9.414 5.136 8.016 228 HG3 GLU 31 HG1 GLU 31 -9.645 6.863 7.750 229 H VAL 32 HN VAL 32 -7.920 7.096 6.121 230 HA VAL 32 HA VAL 32 -6.310 4.888 5.007 231 HB VAL 32 HB VAL 32 -5.394 7.730 5.228 232 HG11 VAL 32 HG11 VAL 32 -4.457 5.489 3.450 233 HG12 VAL 32 HG12 VAL 32 -3.680 5.987 4.953 234 HG13 VAL 32 HG13 VAL 32 -3.746 7.099 3.583 235 HG21 VAL 32 HG21 VAL 32 -5.978 8.122 2.929 236 HG22 VAL 32 HG22 VAL 32 -7.423 7.660 3.829 237 HG23 VAL 32 HG23 VAL 32 -6.624 6.484 2.776 238 H VAL 33 HN VAL 33 -4.586 4.164 6.161 239 HA VAL 33 HA VAL 33 -3.902 5.539 8.676 240 HB VAL 33 HB VAL 33 -3.406 2.638 8.068 241 HG11 VAL 33 HG11 VAL 33 -2.928 2.477 10.454 242 HG12 VAL 33 HG12 VAL 33 -3.245 4.201 10.635 243 HG13 VAL 33 HG13 VAL 33 -1.877 3.653 9.667 244 HG21 VAL 33 HG21 VAL 33 -5.807 2.998 8.189 245 HG22 VAL 33 HG22 VAL 33 -5.617 3.826 9.736 246 HG23 VAL 33 HG23 VAL 33 -5.237 2.108 9.603 247 H VAL 34 HN VAL 34 -1.891 6.372 8.718 248 HA VAL 34 HA VAL 34 -0.111 5.691 6.499 249 HB VAL 34 HB VAL 34 0.038 7.976 8.473 250 HG11 VAL 34 HG11 VAL 34 1.728 7.350 6.057 251 HG12 VAL 34 HG12 VAL 34 2.256 7.370 7.739 252 HG13 VAL 34 HG13 VAL 34 1.768 8.871 6.949 253 HG21 VAL 34 HG21 VAL 34 -0.742 7.931 5.559 254 HG22 VAL 34 HG22 VAL 34 -0.589 9.374 6.561 255 HG23 VAL 34 HG23 VAL 34 -1.835 8.178 6.920 256 H ALA 35 HN ALA 35 1.561 4.395 6.782 257 HA ALA 35 HA ALA 35 2.855 4.283 9.417 258 HB1 ALA 35 HB1 ALA 35 2.405 1.820 7.737 259 HB2 ALA 35 HB2 ALA 35 1.328 2.304 9.049 260 HB3 ALA 35 HB3 ALA 35 3.016 1.919 9.393 261 H ALA 36 HN ALA 36 5.032 4.349 9.334 262 HA ALA 36 HA ALA 36 6.261 4.437 6.672 263 HB1 ALA 36 HB1 ALA 36 7.358 5.350 9.332 264 HB2 ALA 36 HB2 ALA 36 6.586 6.387 8.128 265 HB3 ALA 36 HB3 ALA 36 8.117 5.589 7.752 266 H THR 37 HN THR 37 5.868 2.346 9.250 267 HA THR 37 HA THR 37 8.257 0.820 8.479 268 HB THR 37 HB THR 37 8.489 0.075 10.836 269 HG1 THR 37 HG1 THR 37 7.368 1.583 12.381 270 HG21 THR 37 HG21 THR 37 8.617 3.064 10.463 271 HG22 THR 37 HG22 THR 37 9.879 1.908 10.035 272 HG23 THR 37 HG23 THR 37 9.441 2.149 11.725 273 H CYS 38 HN CYS 38 8.077 -1.496 8.894 274 HA CYS 38 HA CYS 38 5.559 -2.590 8.245 275 HB2 CYS 38 HB2 CYS 38 7.995 -3.919 9.448 276 HB3 CYS 38 HB1 CYS 38 6.600 -4.776 8.808 277 HG CYS 38 HG CYS 38 8.867 -2.916 7.051 278 H GLU 39 HN GLU 39 7.228 -2.017 11.280 279 HA GLU 39 HA GLU 39 5.524 -3.440 12.984 280 HB2 GLU 39 HB2 GLU 39 7.125 -0.948 13.490 281 HB3 GLU 39 HB1 GLU 39 6.337 -1.881 14.748 282 HG2 GLU 39 HG2 GLU 39 7.716 -3.816 14.167 283 HG3 GLU 39 HG1 GLU 39 8.518 -2.857 12.922 284 H GLN 40 HN GLN 40 5.401 0.010 11.997 285 HA GLN 40 HA GLN 40 3.041 0.674 13.343 286 HB2 GLN 40 HB2 GLN 40 4.346 1.704 10.851 287 HB3 GLN 40 HB1 GLN 40 2.794 2.329 11.362 288 HG2 GLN 40 HG2 GLN 40 3.837 2.942 13.526 289 HG3 GLN 40 HG1 GLN 40 5.386 2.454 12.847 290 HE21 GLN 40 HE21 GLN 40 6.397 3.750 11.366 291 HE22 GLN 40 HE22 GLN 40 5.864 5.359 11.001 292 H ALA 41 HN ALA 41 3.581 -0.757 10.198 293 HA ALA 41 HA ALA 41 0.941 -0.662 9.250 294 HB1 ALA 41 HB1 ALA 41 3.021 -2.721 8.575 295 HB2 ALA 41 HB2 ALA 41 3.006 -1.084 7.922 296 HB3 ALA 41 HB3 ALA 41 1.671 -2.184 7.576 297 H LEU 42 HN LEU 42 2.747 -3.304 10.806 298 HA LEU 42 HA LEU 42 0.658 -5.166 10.771 299 HB2 LEU 42 HB2 LEU 42 2.973 -4.944 12.691 300 HB3 LEU 42 HB1 LEU 42 1.983 -6.364 12.447 301 HG LEU 42 HG LEU 42 3.801 -5.113 10.395 302 HD11 LEU 42 HD11 LEU 42 5.031 -6.214 12.160 303 HD12 LEU 42 HD12 LEU 42 5.117 -7.160 10.672 304 HD13 LEU 42 HD13 LEU 42 4.042 -7.663 11.977 305 HD21 LEU 42 HD21 LEU 42 1.875 -6.101 9.323 306 HD22 LEU 42 HD22 LEU 42 2.082 -7.590 10.248 307 HD23 LEU 42 HD23 LEU 42 3.292 -7.116 9.057 308 H LYS 43 HN LYS 43 1.500 -2.620 13.034 309 HA LYS 43 HA LYS 43 -0.207 -3.400 15.135 310 HB2 LYS 43 HB2 LYS 43 1.539 -1.662 15.354 311 HB3 LYS 43 HB1 LYS 43 0.609 -0.604 14.307 312 HG2 LYS 43 HG2 LYS 43 -1.195 -0.544 15.934 313 HG3 LYS 43 HG1 LYS 43 -0.307 -1.649 16.980 314 HD2 LYS 43 HD2 LYS 43 0.705 1.067 16.142 315 HD3 LYS 43 HD1 LYS 43 -0.155 0.752 17.650 316 HE2 LYS 43 HE2 LYS 43 1.615 -0.941 18.192 317 HE3 LYS 43 HE1 LYS 43 2.503 -0.366 16.782 318 HZ1 LYS 43 HZ1 LYS 43 3.225 0.663 18.882 319 HZ2 LYS 43 HZ2 LYS 43 1.690 1.349 19.063 320 HZ3 LYS 43 HZ3 LYS 43 2.667 1.799 17.758 321 H SER 44 HN SER 44 -0.716 -1.150 12.449 322 HA SER 44 HA SER 44 -3.448 -0.674 13.050 323 HB2 SER 44 HB2 SER 44 -2.027 0.839 11.660 324 HB3 SER 44 HB1 SER 44 -2.066 -0.366 10.373 325 HG SER 44 HG SER 44 -4.065 1.342 11.291 326 H LEU 45 HN LEU 45 -1.767 -2.987 11.024 327 HA LEU 45 HA LEU 45 -3.889 -4.107 9.610 328 HB2 LEU 45 HB2 LEU 45 -1.249 -4.543 9.710 329 HB3 LEU 45 HB1 LEU 45 -1.765 -5.890 10.701 330 HG LEU 45 HG LEU 45 -1.419 -6.563 8.386 331 HD11 LEU 45 HD11 LEU 45 -3.099 -7.759 9.671 332 HD12 LEU 45 HD12 LEU 45 -3.552 -7.663 7.970 333 HD13 LEU 45 HD13 LEU 45 -4.329 -6.609 9.151 334 HD21 LEU 45 HD21 LEU 45 -2.786 -5.736 6.587 335 HD22 LEU 45 HD22 LEU 45 -1.936 -4.394 7.352 336 HD23 LEU 45 HD23 LEU 45 -3.645 -4.666 7.691 337 H ALA 46 HN ALA 46 -2.708 -4.722 12.892 338 HA ALA 46 HA ALA 46 -4.580 -6.863 13.347 339 HB1 ALA 46 HB1 ALA 46 -3.713 -6.819 15.649 340 HB2 ALA 46 HB2 ALA 46 -2.771 -5.383 15.249 341 HB3 ALA 46 HB3 ALA 46 -2.429 -6.914 14.446 342 H ASP 47 HN ASP 47 -4.377 -3.432 14.136 343 HA ASP 47 HA ASP 47 -6.543 -3.508 16.015 344 HB2 ASP 47 HB2 ASP 47 -4.729 -1.840 16.155 345 HB3 ASP 47 HB1 ASP 47 -5.273 -1.134 14.640 346 H ASN 48 HN ASN 48 -6.203 -2.678 12.622 347 HA ASN 48 HA ASN 48 -9.085 -2.058 12.525 348 HB2 ASN 48 HB2 ASN 48 -6.916 -1.090 10.657 349 HB3 ASN 48 HB1 ASN 48 -8.611 -0.662 10.572 350 HD21 ASN 48 HD21 ASN 48 -5.616 -0.111 12.114 351 HD22 ASN 48 HD22 ASN 48 -6.111 1.226 13.096 352 HA PRO 49 HA PRO 49 -9.347 -5.237 9.415 353 HB2 PRO 49 HB2 PRO 49 -11.732 -4.584 8.354 354 HB3 PRO 49 HB1 PRO 49 -11.568 -5.211 9.992 355 HG2 PRO 49 HG2 PRO 49 -12.300 -2.522 9.109 356 HG3 PRO 49 HG1 PRO 49 -12.461 -3.250 10.715 357 HD2 PRO 49 HD2 PRO 49 -10.383 -1.477 9.695 358 HD3 PRO 49 HD1 PRO 49 -10.690 -1.986 11.363 359 H ILE 50 HN ILE 50 -7.527 -4.244 8.224 360 HA ILE 50 HA ILE 50 -7.754 -2.226 6.334 361 HB ILE 50 HB ILE 50 -5.813 -4.527 6.478 362 HG12 ILE 50 HG12 ILE 50 -5.717 -3.056 8.399 363 HG13 ILE 50 HG11 ILE 50 -4.297 -2.802 7.395 364 HG21 ILE 50 HG21 ILE 50 -5.893 -3.641 4.210 365 HG22 ILE 50 HG22 ILE 50 -4.371 -3.250 5.011 366 HG23 ILE 50 HG23 ILE 50 -5.619 -2.018 4.838 367 HD11 ILE 50 HD11 ILE 50 -6.719 -1.030 7.606 368 HD12 ILE 50 HD12 ILE 50 -5.429 -0.811 6.423 369 HD13 ILE 50 HD13 ILE 50 -5.076 -0.679 8.148 370 H ASP 51 HN ASP 51 -8.786 -2.114 4.508 371 HA ASP 51 HA ASP 51 -9.808 -4.514 3.219 372 HB2 ASP 51 HB2 ASP 51 -10.315 -1.568 2.796 373 HB3 ASP 51 HB1 ASP 51 -10.952 -2.800 1.717 374 H VAL 52 HN VAL 52 -7.457 -1.991 2.736 375 HA VAL 52 HA VAL 52 -6.274 -3.394 0.530 376 HB VAL 52 HB VAL 52 -8.108 -2.174 -0.605 377 HG11 VAL 52 HG11 VAL 52 -7.906 0.300 -0.806 378 HG12 VAL 52 HG12 VAL 52 -6.718 0.254 0.494 379 HG13 VAL 52 HG13 VAL 52 -8.377 -0.266 0.796 380 HG21 VAL 52 HG21 VAL 52 -5.356 -1.146 -1.257 381 HG22 VAL 52 HG22 VAL 52 -6.749 -1.118 -2.339 382 HG23 VAL 52 HG23 VAL 52 -6.061 -2.660 -1.822 383 H ALA 53 HN ALA 53 -4.217 -2.411 -0.106 384 HA ALA 53 HA ALA 53 -3.248 -0.345 1.715 385 HB1 ALA 53 HB1 ALA 53 -1.344 -1.639 2.405 386 HB2 ALA 53 HB2 ALA 53 -1.845 -2.987 1.383 387 HB3 ALA 53 HB3 ALA 53 -2.820 -2.528 2.783 388 H VAL 54 HN VAL 54 -1.212 0.543 1.138 389 HA VAL 54 HA VAL 54 -0.269 -0.023 -1.588 390 HB VAL 54 HB VAL 54 0.303 2.659 -1.207 391 HG11 VAL 54 HG11 VAL 54 -1.858 1.249 -2.750 392 HG12 VAL 54 HG12 VAL 54 -0.270 1.792 -3.322 393 HG13 VAL 54 HG13 VAL 54 -1.523 2.974 -2.924 394 HG21 VAL 54 HG21 VAL 54 -1.781 3.749 -0.646 395 HG22 VAL 54 HG22 VAL 54 -1.273 2.714 0.688 396 HG23 VAL 54 HG23 VAL 54 -2.561 2.189 -0.395 397 H LEU 55 HN LEU 55 1.764 -0.708 -1.411 398 HA LEU 55 HA LEU 55 3.232 0.093 1.003 399 HB2 LEU 55 HB2 LEU 55 3.023 -2.499 -0.456 400 HB3 LEU 55 HB1 LEU 55 4.476 -2.149 0.453 401 HG LEU 55 HG LEU 55 3.177 -1.972 2.516 402 HD11 LEU 55 HD11 LEU 55 0.807 -2.613 0.778 403 HD12 LEU 55 HD12 LEU 55 1.090 -1.116 1.672 404 HD13 LEU 55 HD13 LEU 55 0.809 -2.628 2.543 405 HD21 LEU 55 HD21 LEU 55 2.390 -4.331 2.643 406 HD22 LEU 55 HD22 LEU 55 4.022 -4.140 2.002 407 HD23 LEU 55 HD23 LEU 55 2.680 -4.465 0.906 408 H ASP 56 HN ASP 56 4.821 1.464 0.617 409 HA ASP 56 HA ASP 56 6.330 1.399 -1.844 410 HB2 ASP 56 HB2 ASP 56 6.045 3.541 -0.688 411 HB3 ASP 56 HB1 ASP 56 6.834 2.891 0.746 412 H VAL 57 HN VAL 57 8.195 0.342 -2.184 413 HA VAL 57 HA VAL 57 8.791 -1.701 -0.213 414 HB VAL 57 HB VAL 57 9.794 -1.406 -3.051 415 HG11 VAL 57 HG11 VAL 57 10.421 -3.770 -2.831 416 HG12 VAL 57 HG12 VAL 57 9.958 -3.721 -1.130 417 HG13 VAL 57 HG13 VAL 57 11.305 -2.740 -1.706 418 HG21 VAL 57 HG21 VAL 57 8.171 -3.147 -3.592 419 HG22 VAL 57 HG22 VAL 57 7.374 -1.716 -2.937 420 HG23 VAL 57 HG23 VAL 57 7.601 -3.142 -1.924 421 H ASN 58 HN ASN 58 10.378 1.032 -1.780 422 HA ASN 58 HA ASN 58 12.887 0.348 -0.512 423 HB2 ASN 58 HB2 ASN 58 13.664 2.441 -1.738 424 HB3 ASN 58 HB1 ASN 58 13.228 1.059 -2.716 425 HD21 ASN 58 HD21 ASN 58 10.961 3.286 -1.198 426 HD22 ASN 58 HD22 ASN 58 10.354 3.930 -2.679 427 H LEU 59 HN LEU 59 11.442 0.682 1.534 428 HA LEU 59 HA LEU 59 10.964 3.296 2.484 429 HB2 LEU 59 HB2 LEU 59 11.571 0.794 4.067 430 HB3 LEU 59 HB1 LEU 59 10.869 2.263 4.714 431 HG LEU 59 HG LEU 59 9.565 0.466 2.665 432 HD11 LEU 59 HD11 LEU 59 9.714 -0.558 4.891 433 HD12 LEU 59 HD12 LEU 59 8.052 -0.164 4.456 434 HD13 LEU 59 HD13 LEU 59 8.934 0.863 5.588 435 HD21 LEU 59 HD21 LEU 59 8.896 2.783 2.392 436 HD22 LEU 59 HD22 LEU 59 8.535 2.902 4.114 437 HD23 LEU 59 HD23 LEU 59 7.575 1.840 3.083 438 H GLY 60 HN GLY 60 13.768 1.241 2.461 439 HA2 GLY 60 HA2 GLY 60 15.514 3.482 2.860 440 HA3 GLY 60 HA1 GLY 60 15.495 2.382 4.237 441 HA PRO 61 HA PRO 61 18.682 0.974 1.103 442 HB2 PRO 61 HB2 PRO 61 20.441 0.232 3.033 443 HB3 PRO 61 HB1 PRO 61 20.478 1.762 2.168 444 HG2 PRO 61 HG2 PRO 61 19.316 1.130 4.837 445 HG3 PRO 61 HG1 PRO 61 20.241 2.557 4.334 446 HD2 PRO 61 HD2 PRO 61 17.593 2.654 4.555 447 HD3 PRO 61 HD1 PRO 61 18.407 3.492 3.230 448 H LYS 62 HN LYS 62 17.623 -0.422 4.158 449 HA LYS 62 HA LYS 62 17.472 -3.026 2.797 450 HB2 LYS 62 HB2 LYS 62 18.429 -2.435 5.586 451 HB3 LYS 62 HB1 LYS 62 17.861 -4.030 5.116 452 HG2 LYS 62 HG2 LYS 62 19.581 -4.071 3.338 453 HG3 LYS 62 HG1 LYS 62 20.188 -2.527 3.939 454 HD2 LYS 62 HD2 LYS 62 21.517 -4.370 4.810 455 HD3 LYS 62 HD1 LYS 62 20.647 -3.564 6.113 456 HE2 LYS 62 HE2 LYS 62 20.587 -6.005 6.341 457 HE3 LYS 62 HE1 LYS 62 18.975 -5.329 6.122 458 HZ1 LYS 62 HZ1 LYS 62 20.607 -6.583 3.979 459 HZ2 LYS 62 HZ2 LYS 62 19.034 -5.991 3.811 460 HZ3 LYS 62 HZ3 LYS 62 19.333 -7.331 4.795 461 H SER 63 HN SER 63 15.932 -0.674 4.786 462 HA SER 63 HA SER 63 13.886 -2.387 5.783 463 HB2 SER 63 HB2 SER 63 12.749 -0.061 6.157 464 HB3 SER 63 HB1 SER 63 14.156 -0.516 7.119 465 HG SER 63 HG SER 63 14.301 1.614 6.219 466 H HIS 64 HN HIS 64 12.089 -3.022 4.864 467 HA HIS 64 HA HIS 64 11.050 -1.673 2.499 468 HB2 HIS 64 HB2 HIS 64 10.994 -3.776 1.194 469 HB3 HIS 64 HB1 HIS 64 12.642 -3.292 1.569 470 HD1 HIS 64 HD1 HIS 64 10.026 -5.598 3.116 471 HD2 HIS 64 HD2 HIS 64 14.118 -5.377 2.452 472 HE1 HIS 64 HE1 HIS 64 10.964 -7.725 4.039 473 HE2 HIS 64 HE2 HIS 64 13.428 -7.641 3.493 474 H CYS 65 HN CYS 65 8.848 -2.215 2.049 475 HA CYS 65 HA CYS 65 7.267 -3.167 4.199 476 HB2 CYS 65 HB2 CYS 65 5.435 -3.019 2.589 477 HB3 CYS 65 HB1 CYS 65 6.466 -1.596 2.483 478 HG CYS 65 HG CYS 65 6.981 -4.196 0.387 479 H GLY 66 HN GLY 66 8.178 -5.245 4.743 480 HA2 GLY 66 HA2 GLY 66 7.748 -7.341 2.704 481 HA3 GLY 66 HA1 GLY 66 8.920 -7.444 4.005 482 HA PRO 67 HA PRO 67 6.120 -9.464 6.817 483 HB2 PRO 67 HB2 PRO 67 6.140 -7.044 8.535 484 HB3 PRO 67 HB1 PRO 67 6.469 -8.724 8.953 485 HG2 PRO 67 HG2 PRO 67 8.435 -6.929 8.718 486 HG3 PRO 67 HG1 PRO 67 8.647 -8.626 8.255 487 HD2 PRO 67 HD2 PRO 67 8.352 -6.224 6.546 488 HD3 PRO 67 HD1 PRO 67 9.192 -7.751 6.232 489 H VAL 68 HN VAL 68 5.498 -6.153 5.913 490 HA VAL 68 HA VAL 68 2.754 -6.051 6.651 491 HB VAL 68 HB VAL 68 4.034 -4.488 4.414 492 HG11 VAL 68 HG11 VAL 68 2.396 -2.798 5.005 493 HG12 VAL 68 HG12 VAL 68 1.787 -3.823 6.306 494 HG13 VAL 68 HG13 VAL 68 1.604 -4.330 4.626 495 HG21 VAL 68 HG21 VAL 68 5.498 -4.293 6.332 496 HG22 VAL 68 HG22 VAL 68 4.126 -3.908 7.371 497 HG23 VAL 68 HG23 VAL 68 4.612 -2.784 6.102 498 H ALA 69 HN ALA 69 4.488 -6.752 3.669 499 HA ALA 69 HA ALA 69 2.275 -7.099 1.981 500 HB1 ALA 69 HB1 ALA 69 5.019 -8.350 1.852 501 HB2 ALA 69 HB2 ALA 69 4.540 -6.810 1.136 502 HB3 ALA 69 HB3 ALA 69 3.847 -8.318 0.534 503 H ASP 70 HN ASP 70 4.166 -9.411 3.905 504 HA ASP 70 HA ASP 70 2.641 -11.685 3.220 505 HB2 ASP 70 HB2 ASP 70 4.337 -11.078 5.649 506 HB3 ASP 70 HB1 ASP 70 3.556 -12.634 5.392 507 H ALA 71 HN ALA 71 2.372 -9.352 5.873 508 HA ALA 71 HA ALA 71 0.295 -10.456 7.333 509 HB1 ALA 71 HB1 ALA 71 1.562 -8.423 7.945 510 HB2 ALA 71 HB2 ALA 71 -0.184 -8.219 8.097 511 HB3 ALA 71 HB3 ALA 71 0.668 -7.529 6.712 512 H LEU 72 HN LEU 72 0.141 -8.321 4.531 513 HA LEU 72 HA LEU 72 -2.671 -8.256 4.306 514 HB2 LEU 72 HB2 LEU 72 -0.463 -7.727 2.328 515 HB3 LEU 72 HB1 LEU 72 -2.153 -7.399 2.012 516 HG LEU 72 HG LEU 72 -0.586 -6.155 4.269 517 HD11 LEU 72 HD11 LEU 72 -0.598 -4.141 2.948 518 HD12 LEU 72 HD12 LEU 72 -1.372 -5.006 1.613 519 HD13 LEU 72 HD13 LEU 72 0.265 -5.443 2.123 520 HD21 LEU 72 HD21 LEU 72 -3.306 -5.549 3.121 521 HD22 LEU 72 HD22 LEU 72 -2.510 -4.665 4.426 522 HD23 LEU 72 HD23 LEU 72 -2.996 -6.346 4.661 523 H LYS 73 HN LYS 73 -0.175 -10.119 2.648 524 HA LYS 73 HA LYS 73 -1.745 -11.653 0.955 525 HB2 LYS 73 HB2 LYS 73 0.883 -12.061 2.284 526 HB3 LYS 73 HB1 LYS 73 0.193 -13.321 1.278 527 HG2 LYS 73 HG2 LYS 73 -0.086 -11.423 -0.456 528 HG3 LYS 73 HG1 LYS 73 1.106 -10.586 0.533 529 HD2 LYS 73 HD2 LYS 73 1.451 -13.323 -0.625 530 HD3 LYS 73 HD1 LYS 73 2.068 -11.854 -1.378 531 HE2 LYS 73 HE2 LYS 73 3.934 -12.576 -0.240 532 HE3 LYS 73 HE1 LYS 73 3.210 -11.499 0.951 533 HZ1 LYS 73 HZ1 LYS 73 3.844 -13.483 2.053 534 HZ2 LYS 73 HZ2 LYS 73 3.087 -14.460 0.895 535 HZ3 LYS 73 HZ3 LYS 73 2.154 -13.515 1.938 536 H GLN 74 HN GLN 74 -0.989 -12.106 4.361 537 HA GLN 74 HA GLN 74 -1.977 -14.709 4.684 538 HB2 GLN 74 HB2 GLN 74 -1.695 -12.395 6.587 539 HB3 GLN 74 HB1 GLN 74 -2.333 -13.950 7.108 540 HG2 GLN 74 HG2 GLN 74 -0.272 -15.040 6.502 541 HG3 GLN 74 HG1 GLN 74 0.361 -13.536 5.837 542 HE21 GLN 74 HE21 GLN 74 1.376 -15.246 7.982 543 HE22 GLN 74 HE22 GLN 74 1.519 -14.223 9.367 544 H ARG 75 HN ARG 75 -3.629 -11.585 4.974 545 HA ARG 75 HA ARG 75 -6.147 -12.962 5.503 546 HB2 ARG 75 HB2 ARG 75 -5.489 -10.016 5.459 547 HB3 ARG 75 HB1 ARG 75 -7.044 -10.700 5.908 548 HG2 ARG 75 HG2 ARG 75 -5.914 -11.896 7.763 549 HG3 ARG 75 HG1 ARG 75 -4.428 -11.043 7.349 550 HD2 ARG 75 HD2 ARG 75 -5.559 -8.904 7.725 551 HD3 ARG 75 HD1 ARG 75 -7.034 -9.765 8.159 552 HE ARG 75 HE ARG 75 -4.774 -10.544 9.742 553 HH11 ARG 75 HH11 ARG 75 -7.337 -8.192 9.403 554 HH12 ARG 75 HH12 ARG 75 -7.329 -7.754 11.079 555 HH21 ARG 75 HH21 ARG 75 -4.761 -9.972 11.955 556 HH22 ARG 75 HH22 ARG 75 -5.870 -8.769 12.534 557 H ALA 76 HN ALA 76 -4.497 -12.414 2.848 558 HA ALA 76 HA ALA 76 -4.941 -12.232 0.637 559 HB1 ALA 76 HB1 ALA 76 -7.111 -12.951 -0.169 560 HB2 ALA 76 HB2 ALA 76 -7.794 -12.775 1.446 561 HB3 ALA 76 HB3 ALA 76 -6.570 -14.005 1.137 562 H ILE 77 HN ILE 77 -4.906 -9.842 2.213 563 HA ILE 77 HA ILE 77 -7.017 -8.132 1.254 564 HB ILE 77 HB ILE 77 -4.445 -7.497 2.715 565 HG12 ILE 77 HG12 ILE 77 -7.269 -7.532 3.781 566 HG13 ILE 77 HG11 ILE 77 -6.183 -8.911 3.896 567 HG21 ILE 77 HG21 ILE 77 -5.522 -5.320 3.200 568 HG22 ILE 77 HG22 ILE 77 -6.821 -5.751 2.085 569 HG23 ILE 77 HG23 ILE 77 -5.174 -5.557 1.487 570 HD11 ILE 77 HD11 ILE 77 -4.638 -7.600 5.230 571 HD12 ILE 77 HD12 ILE 77 -6.241 -7.622 5.961 572 HD13 ILE 77 HD13 ILE 77 -5.692 -6.192 5.086 573 HA PRO 78 HA PRO 78 -4.879 -7.165 -2.514 574 HB2 PRO 78 HB2 PRO 78 -6.488 -5.043 -3.215 575 HB3 PRO 78 HB1 PRO 78 -6.800 -6.734 -3.596 576 HG2 PRO 78 HG2 PRO 78 -8.117 -4.993 -1.669 577 HG3 PRO 78 HG1 PRO 78 -8.655 -6.542 -2.326 578 HD2 PRO 78 HD2 PRO 78 -7.577 -6.018 0.245 579 HD3 PRO 78 HD1 PRO 78 -8.009 -7.589 -0.441 580 H PHE 79 HN PHE 79 -3.233 -5.870 -2.986 581 HA PHE 79 HA PHE 79 -3.095 -3.177 -2.000 582 HB2 PHE 79 HB2 PHE 79 -1.011 -3.432 -0.754 583 HB3 PHE 79 HB1 PHE 79 -2.320 -4.339 -0.025 584 HD1 PHE 79 HD2 PHE 79 -2.407 -6.825 -0.403 585 HD2 PHE 79 HD1 PHE 79 0.993 -4.467 -1.362 586 HE1 PHE 79 HE2 PHE 79 -1.013 -8.853 -0.430 587 HE2 PHE 79 HE1 PHE 79 2.399 -6.490 -1.399 588 HZ PHE 79 HZ PHE 79 1.448 -8.647 -0.822 589 H ILE 80 HN ILE 80 -1.240 -2.042 -2.769 590 HA ILE 80 HA ILE 80 -0.044 -3.290 -5.161 591 HB ILE 80 HB ILE 80 -0.913 -0.409 -4.877 592 HG12 ILE 80 HG12 ILE 80 -2.024 -2.695 -6.501 593 HG13 ILE 80 HG11 ILE 80 -2.835 -1.806 -5.217 594 HG21 ILE 80 HG21 ILE 80 0.353 -1.832 -7.215 595 HG22 ILE 80 HG22 ILE 80 1.106 -0.590 -6.211 596 HG23 ILE 80 HG23 ILE 80 -0.273 -0.181 -7.234 597 HD11 ILE 80 HD11 ILE 80 -2.806 0.203 -6.605 598 HD12 ILE 80 HD12 ILE 80 -3.662 -1.133 -7.376 599 HD13 ILE 80 HD13 ILE 80 -2.029 -0.715 -7.896 600 H LEU 81 HN LEU 81 2.119 -2.941 -5.455 601 HA LEU 81 HA LEU 81 3.522 -1.632 -3.264 602 HB2 LEU 81 HB2 LEU 81 4.597 -3.106 -5.674 603 HB3 LEU 81 HB1 LEU 81 5.578 -2.456 -4.379 604 HG LEU 81 HG LEU 81 5.459 -4.723 -3.898 605 HD11 LEU 81 HD11 LEU 81 4.933 -3.382 -1.938 606 HD12 LEU 81 HD12 LEU 81 4.111 -4.940 -1.878 607 HD13 LEU 81 HD13 LEU 81 3.213 -3.486 -2.314 608 HD21 LEU 81 HD21 LEU 81 3.454 -6.082 -3.990 609 HD22 LEU 81 HD22 LEU 81 3.750 -5.305 -5.547 610 HD23 LEU 81 HD23 LEU 81 2.502 -4.677 -4.470 611 H HIS 82 HN HIS 82 3.621 0.491 -3.405 612 HA HIS 82 HA HIS 82 4.039 1.713 -6.040 613 HB2 HIS 82 HB2 HIS 82 2.098 2.570 -4.836 614 HB3 HIS 82 HB1 HIS 82 3.081 2.939 -3.429 615 HD1 HIS 82 HD1 HIS 82 2.175 5.419 -3.693 616 HD2 HIS 82 HD2 HIS 82 4.599 4.087 -6.792 617 HE1 HIS 82 HE1 HIS 82 2.789 7.473 -5.008 618 HE2 HIS 82 HE2 HIS 82 4.431 6.669 -6.725 619 H THR 83 HN THR 83 6.192 1.109 -6.126 620 HA THR 83 HA THR 83 8.009 2.347 -4.166 621 HB THR 83 HB THR 83 8.030 -0.049 -3.902 622 HG1 THR 83 HG1 THR 83 10.311 -0.342 -5.071 623 HG21 THR 83 HG21 THR 83 8.496 -1.586 -5.724 624 HG22 THR 83 HG22 THR 83 8.613 -0.239 -6.856 625 HG23 THR 83 HG23 THR 83 7.067 -0.616 -6.093 626 H GLY 84 HN GLY 84 10.127 2.941 -4.997 627 HA2 GLY 84 HA2 GLY 84 9.984 3.832 -7.796 628 HA3 GLY 84 HA1 GLY 84 11.041 4.498 -6.560 629 H ASP 85 HN ASP 85 11.205 1.312 -6.060 630 HA ASP 85 HA ASP 85 13.187 0.816 -8.165 631 HB2 ASP 85 HB2 ASP 85 14.504 1.200 -6.198 632 HB3 ASP 85 HB1 ASP 85 13.464 0.155 -5.231 633 H LEU 86 HN LEU 86 12.582 -0.797 -9.375 634 HA LEU 86 HA LEU 86 11.201 -3.073 -8.119 635 HB2 LEU 86 HB2 LEU 86 11.124 -2.075 -10.964 636 HB3 LEU 86 HB1 LEU 86 10.519 -3.647 -10.493 637 HG LEU 86 HG LEU 86 8.935 -2.418 -8.923 638 HD11 LEU 86 HD11 LEU 86 9.765 -0.066 -10.616 639 HD12 LEU 86 HD12 LEU 86 10.085 -0.264 -8.893 640 HD13 LEU 86 HD13 LEU 86 8.426 -0.100 -9.469 641 HD21 LEU 86 HD21 LEU 86 8.198 -3.444 -10.993 642 HD22 LEU 86 HD22 LEU 86 8.684 -2.012 -11.900 643 HD23 LEU 86 HD23 LEU 86 7.361 -1.912 -10.738 644 H ASP 87 HN ASP 87 14.119 -2.039 -9.239 645 HA ASP 87 HA ASP 87 14.919 -4.461 -10.606 646 HB2 ASP 87 HB2 ASP 87 16.432 -1.949 -9.889 647 HB3 ASP 87 HB1 ASP 87 17.172 -3.328 -10.693 648 H ARG 88 HN ARG 88 16.104 -2.705 -7.726 649 HA ARG 88 HA ARG 88 17.838 -4.837 -6.969 650 HB2 ARG 88 HB2 ARG 88 18.059 -2.352 -6.409 651 HB3 ARG 88 HB1 ARG 88 16.873 -2.644 -5.143 652 HG2 ARG 88 HG2 ARG 88 19.337 -4.323 -5.307 653 HG3 ARG 88 HG1 ARG 88 19.404 -2.718 -4.598 654 HD2 ARG 88 HD2 ARG 88 17.680 -3.350 -2.988 655 HD3 ARG 88 HD1 ARG 88 17.577 -4.947 -3.720 656 HE ARG 88 HE ARG 88 19.846 -5.354 -2.952 657 HH11 ARG 88 HH11 ARG 88 18.185 -2.617 -1.528 658 HH12 ARG 88 HH12 ARG 88 19.129 -2.632 -0.073 659 HH21 ARG 88 HH21 ARG 88 21.104 -5.368 -1.048 660 HH22 ARG 88 HH22 ARG 88 20.805 -4.190 0.193 661 H HIS 89 HN HIS 89 14.640 -3.773 -5.939 662 HA HIS 89 HA HIS 89 14.470 -5.973 -4.027 663 HB2 HIS 89 HB2 HIS 89 12.554 -3.738 -4.693 664 HB3 HIS 89 HB1 HIS 89 12.229 -4.984 -3.496 665 HD1 HIS 89 HD1 HIS 89 14.198 -5.067 -1.516 666 HD2 HIS 89 HD2 HIS 89 13.703 -1.546 -3.660 667 HE1 HIS 89 HE1 HIS 89 15.250 -3.267 -0.114 668 HE2 HIS 89 HE2 HIS 89 15.135 -1.194 -1.539 669 H GLY 90 HN GLY 90 14.521 -6.358 -7.006 670 HA2 GLY 90 HA2 GLY 90 11.971 -6.992 -7.984 671 HA3 GLY 90 HA1 GLY 90 13.480 -7.638 -8.597 672 H GLU 91 HN GLU 91 14.361 -9.029 -6.338 673 HA GLU 91 HA GLU 91 12.999 -11.465 -6.529 674 HB2 GLU 91 HB2 GLU 91 14.742 -10.473 -4.271 675 HB3 GLU 91 HB1 GLU 91 14.273 -12.145 -4.530 676 HG2 GLU 91 HG2 GLU 91 15.448 -12.082 -6.708 677 HG3 GLU 91 HG1 GLU 91 16.001 -10.454 -6.315 678 H LEU 92 HN LEU 92 12.842 -8.944 -4.062 679 HA LEU 92 HA LEU 92 11.043 -10.174 -2.313 680 HB2 LEU 92 HB2 LEU 92 12.333 -8.186 -1.746 681 HB3 LEU 92 HB1 LEU 92 11.449 -7.250 -2.932 682 HG LEU 92 HG LEU 92 9.374 -7.616 -1.600 683 HD11 LEU 92 HD11 LEU 92 9.580 -8.408 0.695 684 HD12 LEU 92 HD12 LEU 92 11.287 -8.760 0.430 685 HD13 LEU 92 HD13 LEU 92 10.054 -9.663 -0.450 686 HD21 LEU 92 HD21 LEU 92 11.640 -6.344 -0.079 687 HD22 LEU 92 HD22 LEU 92 9.921 -5.982 0.084 688 HD23 LEU 92 HD23 LEU 92 10.769 -5.588 -1.412 689 H LEU 93 HN LEU 93 10.494 -8.063 -5.094 690 HA LEU 93 HA LEU 93 7.709 -7.856 -4.878 691 HB2 LEU 93 HB2 LEU 93 9.491 -7.735 -7.306 692 HB3 LEU 93 HB1 LEU 93 7.821 -7.211 -7.264 693 HG LEU 93 HG LEU 93 9.949 -6.024 -5.498 694 HD11 LEU 93 HD11 LEU 93 8.959 -5.070 -8.177 695 HD12 LEU 93 HD12 LEU 93 10.588 -5.633 -7.795 696 HD13 LEU 93 HD13 LEU 93 9.975 -4.143 -7.073 697 HD21 LEU 93 HD21 LEU 93 8.323 -4.185 -5.316 698 HD22 LEU 93 HD22 LEU 93 7.685 -5.709 -4.701 699 HD23 LEU 93 HD23 LEU 93 7.182 -5.119 -6.284 700 H ARG 94 HN ARG 94 9.760 -10.336 -6.269 701 HA ARG 94 HA ARG 94 7.692 -11.721 -7.656 702 HB2 ARG 94 HB2 ARG 94 10.347 -12.741 -6.631 703 HB3 ARG 94 HB1 ARG 94 9.289 -13.607 -7.732 704 HG2 ARG 94 HG2 ARG 94 9.535 -11.692 -9.326 705 HG3 ARG 94 HG1 ARG 94 10.777 -11.051 -8.250 706 HD2 ARG 94 HD2 ARG 94 10.811 -13.701 -9.686 707 HD3 ARG 94 HD1 ARG 94 11.814 -12.298 -10.038 708 HE ARG 94 HE ARG 94 12.024 -13.559 -7.400 709 HH11 ARG 94 HH11 ARG 94 13.436 -12.848 -10.524 710 HH12 ARG 94 HH12 ARG 94 15.024 -13.367 -10.064 711 HH21 ARG 94 HH21 ARG 94 14.126 -14.255 -6.803 712 HH22 ARG 94 HH22 ARG 94 15.416 -14.160 -7.956 713 H LYS 95 HN LYS 95 8.928 -11.784 -4.393 714 HA LYS 95 HA LYS 95 7.556 -14.187 -3.639 715 HB2 LYS 95 HB2 LYS 95 8.778 -12.032 -1.910 716 HB3 LYS 95 HB1 LYS 95 8.266 -13.621 -1.360 717 HG2 LYS 95 HG2 LYS 95 9.953 -14.671 -2.760 718 HG3 LYS 95 HG1 LYS 95 10.450 -13.087 -3.362 719 HD2 LYS 95 HD2 LYS 95 11.065 -12.426 -1.085 720 HD3 LYS 95 HD1 LYS 95 10.585 -14.018 -0.498 721 HE2 LYS 95 HE2 LYS 95 12.286 -15.041 -1.951 722 HE3 LYS 95 HE1 LYS 95 12.785 -13.432 -2.473 723 HZ1 LYS 95 HZ1 LYS 95 12.891 -14.447 0.314 724 HZ2 LYS 95 HZ2 LYS 95 13.390 -12.913 -0.196 725 HZ3 LYS 95 HZ3 LYS 95 14.217 -14.292 -0.725 726 H ILE 96 HN ILE 96 7.019 -10.736 -3.288 727 HA ILE 96 HA ILE 96 4.636 -10.886 -1.790 728 HB ILE 96 HB ILE 96 5.551 -8.757 -3.734 729 HG12 ILE 96 HG12 ILE 96 5.823 -8.882 -0.721 730 HG13 ILE 96 HG11 ILE 96 7.129 -9.177 -1.863 731 HG21 ILE 96 HG21 ILE 96 4.027 -7.284 -2.476 732 HG22 ILE 96 HG22 ILE 96 3.441 -8.689 -1.590 733 HG23 ILE 96 HG23 ILE 96 3.188 -8.575 -3.332 734 HD11 ILE 96 HD11 ILE 96 7.201 -6.923 -0.902 735 HD12 ILE 96 HD12 ILE 96 5.615 -6.589 -1.601 736 HD13 ILE 96 HD13 ILE 96 6.995 -6.899 -2.654 737 H ASP 97 HN ASP 97 5.218 -10.423 -5.263 738 HA ASP 97 HA ASP 97 3.967 -10.785 -7.110 739 HB2 ASP 97 HB2 ASP 97 4.153 -13.128 -6.243 740 HB3 ASP 97 HB1 ASP 97 2.585 -12.916 -5.470 741 H ALA 98 HN ALA 98 3.076 -8.672 -6.659 742 HA ALA 98 HA ALA 98 0.183 -8.751 -6.716 743 HB1 ALA 98 HB1 ALA 98 0.641 -8.503 -4.319 744 HB2 ALA 98 HB2 ALA 98 -0.079 -7.036 -4.980 745 HB3 ALA 98 HB3 ALA 98 1.652 -7.098 -4.654 746 HA PRO 99 HA PRO 99 0.623 -5.439 -9.630 747 HB2 PRO 99 HB2 PRO 99 -1.162 -3.785 -7.930 748 HB3 PRO 99 HB1 PRO 99 -1.275 -4.146 -9.654 749 HG2 PRO 99 HG2 PRO 99 -2.875 -5.363 -7.955 750 HG3 PRO 99 HG1 PRO 99 -2.122 -6.274 -9.270 751 HD2 PRO 99 HD2 PRO 99 -1.394 -6.190 -6.369 752 HD3 PRO 99 HD1 PRO 99 -1.446 -7.579 -7.476 753 H VAL 100 HN VAL 100 1.976 -3.776 -9.984 754 HA VAL 100 HA VAL 100 3.061 -2.366 -7.641 755 HB VAL 100 HB VAL 100 4.581 -3.130 -10.145 756 HG11 VAL 100 HG11 VAL 100 5.442 -1.110 -9.127 757 HG12 VAL 100 HG12 VAL 100 6.563 -2.445 -8.856 758 HG13 VAL 100 HG13 VAL 100 5.507 -1.900 -7.553 759 HG21 VAL 100 HG21 VAL 100 5.763 -4.752 -8.750 760 HG22 VAL 100 HG22 VAL 100 4.039 -5.112 -8.830 761 HG23 VAL 100 HG23 VAL 100 4.716 -4.352 -7.390 762 H MET 101 HN MET 101 3.283 -0.200 -7.782 763 HA MET 101 HA MET 101 2.750 1.105 -10.374 764 HB2 MET 101 HB2 MET 101 1.895 1.934 -7.596 765 HB3 MET 101 HB1 MET 101 1.958 3.076 -8.930 766 HG2 MET 101 HG2 MET 101 0.377 0.535 -9.089 767 HG3 MET 101 HG1 MET 101 -0.287 2.005 -8.384 768 HE1 MET 101 HE1 MET 101 0.428 4.400 -9.950 769 HE2 MET 101 HE2 MET 101 -1.276 3.980 -9.764 770 HE3 MET 101 HE3 MET 101 -0.645 4.421 -11.348 771 H ALA 102 HN ALA 102 4.826 1.400 -10.985 772 HA ALA 102 HA ALA 102 6.976 1.991 -9.271 773 HB1 ALA 102 HB1 ALA 102 7.263 0.977 -11.478 774 HB2 ALA 102 HB2 ALA 102 8.238 2.437 -11.308 775 HB3 ALA 102 HB3 ALA 102 6.740 2.481 -12.238 776 H LYS 103 HN LYS 103 8.090 3.871 -8.875 777 HA LYS 103 HA LYS 103 6.516 6.316 -9.046 778 HB2 LYS 103 HB2 LYS 103 9.076 5.642 -7.587 779 HB3 LYS 103 HB1 LYS 103 8.337 7.235 -7.573 780 HG2 LYS 103 HG2 LYS 103 6.340 6.308 -6.530 781 HG3 LYS 103 HG1 LYS 103 7.065 4.702 -6.562 782 HD2 LYS 103 HD2 LYS 103 8.728 5.311 -5.002 783 HD3 LYS 103 HD1 LYS 103 8.375 7.031 -5.180 784 HE2 LYS 103 HE2 LYS 103 6.304 6.812 -4.037 785 HE3 LYS 103 HE1 LYS 103 6.382 5.049 -4.103 786 HZ1 LYS 103 HZ1 LYS 103 8.069 4.990 -2.509 787 HZ2 LYS 103 HZ2 LYS 103 6.985 6.154 -1.911 788 HZ3 LYS 103 HZ3 LYS 103 8.420 6.638 -2.671 789 HA PRO 104 HA PRO 104 7.024 8.571 -8.789 790 HB2 PRO 104 HB2 PRO 104 6.365 10.263 -11.062 791 HB3 PRO 104 HB1 PRO 104 7.176 10.695 -9.556 792 HG2 PRO 104 HG2 PRO 104 8.451 10.646 -11.947 793 HG3 PRO 104 HG1 PRO 104 9.267 10.291 -10.414 794 HD2 PRO 104 HD2 PRO 104 8.238 8.399 -12.496 795 HD3 PRO 104 HD1 PRO 104 9.753 8.341 -11.571 796 H ALA 105 HN ALA 105 4.797 8.755 -8.563 797 HA ALA 105 HA ALA 105 3.067 7.907 -10.740 798 HB1 ALA 105 HB1 ALA 105 3.082 6.431 -8.106 799 HB2 ALA 105 HB2 ALA 105 3.691 5.796 -9.639 800 HB3 ALA 105 HB3 ALA 105 1.973 6.165 -9.458 801 H ASP 106 HN ASP 106 1.274 9.056 -10.718 802 HA ASP 106 HA ASP 106 0.744 10.984 -8.705 803 HB2 ASP 106 HB2 ASP 106 0.031 11.242 -11.082 804 HB3 ASP 106 HB1 ASP 106 -1.142 9.951 -10.842 805 H THR 107 HN THR 107 -0.473 10.885 -6.947 806 HA THR 107 HA THR 107 -0.845 8.334 -5.838 807 HB THR 107 HB THR 107 -1.888 9.643 -3.933 808 HG1 THR 107 HG1 THR 107 -2.273 11.712 -4.235 809 HG21 THR 107 HG21 THR 107 0.267 10.591 -3.280 810 HG22 THR 107 HG22 THR 107 0.822 10.497 -4.953 811 HG23 THR 107 HG23 THR 107 0.489 9.018 -4.047 812 H SER 108 HN SER 108 -3.038 10.443 -7.525 813 HA SER 108 HA SER 108 -5.437 9.248 -6.593 814 HB2 SER 108 HB2 SER 108 -5.369 11.448 -7.737 815 HB3 SER 108 HB1 SER 108 -4.916 10.637 -9.233 816 HG SER 108 HG SER 108 -7.346 10.418 -7.791 817 H ASP 109 HN ASP 109 -3.260 8.595 -9.306 818 HA ASP 109 HA ASP 109 -4.792 6.508 -10.462 819 HB2 ASP 109 HB2 ASP 109 -1.927 7.354 -10.669 820 HB3 ASP 109 HB1 ASP 109 -2.430 5.813 -11.349 821 H VAL 110 HN VAL 110 -2.251 6.605 -8.056 822 HA VAL 110 HA VAL 110 -1.954 3.823 -7.737 823 HB VAL 110 HB VAL 110 -1.543 5.917 -5.600 824 HG11 VAL 110 HG11 VAL 110 -0.202 3.253 -6.033 825 HG12 VAL 110 HG12 VAL 110 -1.498 3.556 -4.875 826 HG13 VAL 110 HG13 VAL 110 0.061 4.364 -4.688 827 HG21 VAL 110 HG21 VAL 110 0.756 6.093 -6.406 828 HG22 VAL 110 HG22 VAL 110 -0.395 6.574 -7.658 829 HG23 VAL 110 HG23 VAL 110 0.382 4.990 -7.730 830 H ALA 111 HN ALA 111 -4.024 6.208 -6.152 831 HA ALA 111 HA ALA 111 -5.111 4.499 -4.192 832 HB1 ALA 111 HB1 ALA 111 -6.328 6.981 -5.397 833 HB2 ALA 111 HB2 ALA 111 -5.185 6.950 -4.055 834 HB3 ALA 111 HB3 ALA 111 -6.784 6.229 -3.868 835 H LYS 112 HN LYS 112 -6.345 5.527 -7.362 836 HA LYS 112 HA LYS 112 -8.771 4.126 -7.263 837 HB2 LYS 112 HB2 LYS 112 -7.080 4.886 -9.649 838 HB3 LYS 112 HB1 LYS 112 -8.734 4.298 -9.747 839 HG2 LYS 112 HG2 LYS 112 -9.523 6.240 -8.527 840 HG3 LYS 112 HG1 LYS 112 -7.864 6.819 -8.350 841 HD2 LYS 112 HD2 LYS 112 -7.670 6.954 -10.796 842 HD3 LYS 112 HD1 LYS 112 -9.342 6.417 -10.949 843 HE2 LYS 112 HE2 LYS 112 -10.094 8.402 -9.742 844 HE3 LYS 112 HE1 LYS 112 -8.421 8.933 -9.566 845 HZ1 LYS 112 HZ1 LYS 112 -9.500 10.058 -11.401 846 HZ2 LYS 112 HZ2 LYS 112 -9.864 8.580 -12.137 847 HZ3 LYS 112 HZ3 LYS 112 -8.254 9.071 -11.976 848 H ARG 113 HN ARG 113 -5.610 3.173 -8.574 849 HA ARG 113 HA ARG 113 -6.389 0.665 -9.565 850 HB2 ARG 113 HB2 ARG 113 -3.705 1.667 -8.645 851 HB3 ARG 113 HB1 ARG 113 -3.951 0.101 -9.403 852 HG2 ARG 113 HG2 ARG 113 -4.549 2.774 -10.644 853 HG3 ARG 113 HG1 ARG 113 -3.177 1.733 -11.002 854 HD2 ARG 113 HD2 ARG 113 -4.695 -0.010 -11.792 855 HD3 ARG 113 HD1 ARG 113 -6.068 1.038 -11.443 856 HE ARG 113 HE ARG 113 -4.038 2.011 -13.300 857 HH11 ARG 113 HH11 ARG 113 -7.250 0.721 -12.757 858 HH12 ARG 113 HH12 ARG 113 -7.837 1.192 -14.326 859 HH21 ARG 113 HH21 ARG 113 -4.813 2.639 -15.363 860 HH22 ARG 113 HH22 ARG 113 -6.454 2.279 -15.804 861 H ALA 114 HN ALA 114 -5.560 1.734 -6.367 862 HA ALA 114 HA ALA 114 -5.200 -0.905 -5.295 863 HB1 ALA 114 HB1 ALA 114 -4.045 0.981 -4.284 864 HB2 ALA 114 HB2 ALA 114 -5.144 0.243 -3.113 865 HB3 ALA 114 HB3 ALA 114 -5.589 1.748 -3.914 866 H LEU 115 HN LEU 115 -7.728 1.590 -5.048 867 HA LEU 115 HA LEU 115 -9.452 0.071 -3.431 868 HB2 LEU 115 HB2 LEU 115 -9.944 2.446 -5.197 869 HB3 LEU 115 HB1 LEU 115 -11.166 1.758 -4.144 870 HG LEU 115 HG LEU 115 -8.522 2.898 -3.233 871 HD11 LEU 115 HD11 LEU 115 -9.905 4.665 -2.245 872 HD12 LEU 115 HD12 LEU 115 -11.319 3.981 -3.047 873 HD13 LEU 115 HD13 LEU 115 -9.993 4.642 -4.007 874 HD21 LEU 115 HD21 LEU 115 -9.338 1.076 -1.812 875 HD22 LEU 115 HD22 LEU 115 -10.881 1.912 -1.627 876 HD23 LEU 115 HD23 LEU 115 -9.400 2.632 -0.988 877 H GLU 116 HN GLU 116 -9.061 0.179 -6.916 878 HA GLU 116 HA GLU 116 -11.572 -0.964 -7.557 879 HB2 GLU 116 HB2 GLU 116 -10.659 -1.404 -9.755 880 HB3 GLU 116 HB1 GLU 116 -10.183 0.189 -9.221 881 HG2 GLU 116 HG2 GLU 116 -7.980 -0.539 -8.741 882 HG3 GLU 116 HG1 GLU 116 -8.436 -2.206 -9.040 883 H MET 117 HN MET 117 -8.588 -2.324 -6.456 884 HA MET 117 HA MET 117 -9.269 -5.033 -7.149 885 HB2 MET 117 HB2 MET 117 -7.155 -3.965 -5.274 886 HB3 MET 117 HB1 MET 117 -7.275 -5.619 -5.842 887 HG2 MET 117 HG2 MET 117 -6.995 -4.743 -8.167 888 HG3 MET 117 HG1 MET 117 -6.643 -3.172 -7.454 889 HE1 MET 117 HE1 MET 117 -3.455 -4.106 -5.273 890 HE2 MET 117 HE2 MET 117 -5.098 -4.448 -4.725 891 HE3 MET 117 HE3 MET 117 -4.737 -2.921 -5.532 892 H CYS 118 HN CYS 118 -10.171 -2.878 -4.739 893 HA CYS 118 HA CYS 118 -10.555 -4.977 -2.735 894 HB2 CYS 118 HB2 CYS 118 -9.298 -2.991 -2.029 895 HB3 CYS 118 HB1 CYS 118 -10.671 -1.972 -2.447 896 HG CYS 118 HG CYS 118 -10.165 -3.890 0.256 897 H GLY 119 HN GLY 119 -12.310 -2.156 -4.073 898 HA2 GLY 119 HA2 GLY 119 -14.805 -3.641 -3.532 899 HA3 GLY 119 HA1 GLY 119 -14.645 -1.941 -3.127 900 H GLY 120 HN GLY 120 -13.074 -2.951 -5.994 901 HA2 GLY 120 HA2 GLY 120 -14.818 -1.283 -7.578 902 HA3 GLY 120 HA1 GLY 120 -13.395 -2.147 -8.146 903 H ASP 121 HN ASP 121 -14.438 -4.647 -6.928 904 HA ASP 121 HA ASP 121 -16.207 -5.401 -9.124 905 HB2 ASP 121 HB2 ASP 121 -14.147 -6.755 -8.559 906 HB3 ASP 121 HB1 ASP 121 -14.935 -7.197 -7.048 907 H LYS 122 HN LYS 122 -18.248 -4.831 -8.613 908 HA LYS 122 HA LYS 122 -19.411 -6.080 -6.240 909 HB2 LYS 122 HB2 LYS 122 -18.904 -3.777 -5.579 910 HB3 LYS 122 HB1 LYS 122 -19.796 -3.174 -6.970 911 HG2 LYS 122 HG2 LYS 122 -21.859 -4.043 -6.086 912 HG3 LYS 122 HG1 LYS 122 -21.001 -4.805 -4.746 913 HD2 LYS 122 HD2 LYS 122 -20.304 -2.618 -3.937 914 HD3 LYS 122 HD1 LYS 122 -21.136 -1.843 -5.286 915 HE2 LYS 122 HE2 LYS 122 -22.481 -1.735 -3.256 916 HE3 LYS 122 HE1 LYS 122 -23.268 -2.726 -4.482 917 HZ1 LYS 122 HZ1 LYS 122 -21.678 -3.785 -2.208 918 HZ2 LYS 122 HZ2 LYS 122 -22.520 -4.701 -3.352 919 HZ3 LYS 122 HZ3 LYS 122 -23.366 -3.722 -2.266 920 H GLU 123 HN GLU 123 -21.301 -7.026 -6.670 921 HA GLU 123 HA GLU 123 -22.350 -6.897 -9.346 922 HB2 GLU 123 HB2 GLU 123 -22.229 -9.005 -8.024 923 HB3 GLU 123 HB1 GLU 123 -23.432 -8.349 -6.924 924 HG2 GLU 123 HG2 GLU 123 -25.062 -8.266 -8.711 925 HG3 GLU 123 HG1 GLU 123 -23.857 -8.844 -9.862 926 HA PRO 124 HA PRO 124 -25.044 -3.504 -8.273 927 HB2 PRO 124 HB2 PRO 124 -26.245 -3.277 -10.696 928 HB3 PRO 124 HB1 PRO 124 -24.615 -2.678 -10.370 929 HG2 PRO 124 HG2 PRO 124 -25.474 -5.203 -11.717 930 HG3 PRO 124 HG1 PRO 124 -24.154 -4.098 -12.142 931 HD2 PRO 124 HD2 PRO 124 -23.765 -6.443 -10.818 932 HD3 PRO 124 HD1 PRO 124 -22.719 -5.026 -10.611 933 H ALA 125 HN ALA 125 -26.118 -5.172 -6.869 934 HA ALA 125 HA ALA 125 -28.885 -5.455 -7.710 935 HB1 ALA 125 HB1 ALA 125 -29.001 -7.815 -7.085 936 HB2 ALA 125 HB2 ALA 125 -27.267 -7.823 -6.764 937 HB3 ALA 125 HB3 ALA 125 -27.859 -7.568 -8.404 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 -17.453 6.069 -1.029 2 H2 GLY 1 HT2 GLY 1 -16.058 5.229 -0.572 3 H3 GLY 1 HT3 GLY 1 -17.436 5.180 0.410 4 HA2 GLY 1 HA1 GLY 1 -17.208 4.046 -2.319 5 HA3 GLY 1 HA2 GLY 1 -17.187 3.124 -0.825 6 H ALA 2 HN ALA 2 -19.001 2.009 -1.892 7 HA ALA 2 HA ALA 2 -21.493 3.498 -2.082 8 HB1 ALA 2 HB1 ALA 2 -20.919 0.600 -2.683 9 HB2 ALA 2 HB2 ALA 2 -20.896 1.916 -3.856 10 HB3 ALA 2 HB3 ALA 2 -22.404 1.470 -3.061 11 H MET 3 HN MET 3 -20.242 0.652 -0.349 12 HA MET 3 HA MET 3 -22.580 0.495 1.334 13 HB2 MET 3 HB2 MET 3 -19.913 -0.918 1.558 14 HB3 MET 3 HB1 MET 3 -21.347 -1.298 2.498 15 HG2 MET 3 HG2 MET 3 -22.519 -1.971 0.485 16 HG3 MET 3 HG1 MET 3 -21.118 -1.529 -0.492 17 HE1 MET 3 HE1 MET 3 -22.516 -4.371 -0.674 18 HE2 MET 3 HE2 MET 3 -21.113 -5.437 -0.709 19 HE3 MET 3 HE3 MET 3 -21.097 -3.930 -1.622 20 H GLY 4 HN GLY 4 -19.501 1.962 1.363 21 HA2 GLY 4 HA2 GLY 4 -20.036 3.745 3.426 22 HA3 GLY 4 HA1 GLY 4 -19.166 2.387 4.132 23 H MET 5 HN MET 5 -17.022 2.443 4.063 24 HA MET 5 HA MET 5 -15.654 3.744 1.878 25 HB2 MET 5 HB2 MET 5 -14.636 5.429 3.050 26 HB3 MET 5 HB1 MET 5 -16.209 5.401 3.825 27 HG2 MET 5 HG2 MET 5 -15.140 3.840 5.519 28 HG3 MET 5 HG1 MET 5 -13.607 4.355 4.830 29 HE1 MET 5 HE1 MET 5 -14.002 8.307 5.389 30 HE2 MET 5 HE2 MET 5 -14.657 7.392 4.031 31 HE3 MET 5 HE3 MET 5 -13.021 7.068 4.605 32 HA PRO 6 HA PRO 6 -13.012 0.305 2.749 33 HB2 PRO 6 HB2 PRO 6 -10.902 1.291 1.146 34 HB3 PRO 6 HB1 PRO 6 -12.132 0.113 0.698 35 HG2 PRO 6 HG2 PRO 6 -11.847 2.772 -0.246 36 HG3 PRO 6 HG1 PRO 6 -13.134 1.625 -0.618 37 HD2 PRO 6 HD2 PRO 6 -13.181 3.949 1.131 38 HD3 PRO 6 HD1 PRO 6 -14.529 2.987 0.507 39 H LYS 7 HN LYS 7 -11.410 -0.185 4.129 40 HA LYS 7 HA LYS 7 -10.047 2.000 5.493 41 HB2 LYS 7 HB2 LYS 7 -11.126 0.072 6.713 42 HB3 LYS 7 HB1 LYS 7 -9.894 -0.974 6.027 43 HG2 LYS 7 HG2 LYS 7 -9.161 -0.495 8.187 44 HG3 LYS 7 HG1 LYS 7 -8.196 0.550 7.141 45 HD2 LYS 7 HD2 LYS 7 -9.642 2.436 7.653 46 HD3 LYS 7 HD1 LYS 7 -10.677 1.396 8.638 47 HE2 LYS 7 HE2 LYS 7 -8.468 0.889 9.919 48 HE3 LYS 7 HE1 LYS 7 -7.909 2.383 9.178 49 HZ1 LYS 7 HZ1 LYS 7 -9.678 3.584 10.222 50 HZ2 LYS 7 HZ2 LYS 7 -8.880 2.677 11.410 51 HZ3 LYS 7 HZ3 LYS 7 -10.372 2.157 10.813 52 H VAL 8 HN VAL 8 -8.291 2.737 4.474 53 HA VAL 8 HA VAL 8 -6.680 0.878 2.880 54 HB VAL 8 HB VAL 8 -6.669 3.900 2.881 55 HG11 VAL 8 HG11 VAL 8 -4.546 2.942 2.158 56 HG12 VAL 8 HG12 VAL 8 -5.397 3.688 0.805 57 HG13 VAL 8 HG13 VAL 8 -5.391 1.934 0.984 58 HG21 VAL 8 HG21 VAL 8 -7.926 3.774 0.822 59 HG22 VAL 8 HG22 VAL 8 -8.799 2.917 2.096 60 HG23 VAL 8 HG23 VAL 8 -7.899 2.010 0.877 61 H LEU 9 HN LEU 9 -4.596 0.488 3.288 62 HA LEU 9 HA LEU 9 -3.353 1.839 5.589 63 HB2 LEU 9 HB2 LEU 9 -3.904 -0.544 5.912 64 HB3 LEU 9 HB1 LEU 9 -2.913 -0.957 4.542 65 HG LEU 9 HG LEU 9 -1.978 -1.325 6.887 66 HD11 LEU 9 HD11 LEU 9 0.287 -0.765 6.195 67 HD12 LEU 9 HD12 LEU 9 -0.361 0.229 4.890 68 HD13 LEU 9 HD13 LEU 9 -0.627 -1.514 4.885 69 HD21 LEU 9 HD21 LEU 9 -1.572 1.645 6.672 70 HD22 LEU 9 HD22 LEU 9 -0.838 0.595 7.885 71 HD23 LEU 9 HD23 LEU 9 -2.588 0.810 7.846 72 H VAL 10 HN VAL 10 -1.930 3.302 4.859 73 HA VAL 10 HA VAL 10 -0.451 2.774 2.392 74 HB VAL 10 HB VAL 10 -0.776 5.277 4.050 75 HG11 VAL 10 HG11 VAL 10 1.553 5.157 3.256 76 HG12 VAL 10 HG12 VAL 10 0.651 6.437 2.445 77 HG13 VAL 10 HG13 VAL 10 0.969 4.917 1.608 78 HG21 VAL 10 HG21 VAL 10 -2.623 4.721 2.570 79 HG22 VAL 10 HG22 VAL 10 -1.508 4.573 1.211 80 HG23 VAL 10 HG23 VAL 10 -1.764 6.144 1.975 81 H LEU 11 HN LEU 11 1.546 2.152 2.355 82 HA LEU 11 HA LEU 11 3.171 2.247 4.808 83 HB2 LEU 11 HB2 LEU 11 2.671 0.182 2.935 84 HB3 LEU 11 HB1 LEU 11 4.324 0.701 2.663 85 HG LEU 11 HG LEU 11 4.423 -1.127 4.182 86 HD11 LEU 11 HD11 LEU 11 5.434 -0.157 6.139 87 HD12 LEU 11 HD12 LEU 11 4.596 1.373 5.877 88 HD13 LEU 11 HD13 LEU 11 5.845 0.846 4.747 89 HD21 LEU 11 HD21 LEU 11 2.012 -0.944 4.790 90 HD22 LEU 11 HD22 LEU 11 2.453 0.323 5.936 91 HD23 LEU 11 HD23 LEU 11 3.092 -1.308 6.129 92 H GLU 12 HN GLU 12 4.235 4.187 4.690 93 HA GLU 12 HA GLU 12 6.170 4.573 2.632 94 HB2 GLU 12 HB2 GLU 12 4.287 5.336 1.338 95 HB3 GLU 12 HB1 GLU 12 3.726 6.352 2.653 96 HG2 GLU 12 HG2 GLU 12 4.749 7.653 0.873 97 HG3 GLU 12 HG1 GLU 12 5.633 7.811 2.383 98 H ASP 13 HN ASP 13 7.768 5.841 3.309 99 HA ASP 13 HA ASP 13 7.519 6.891 6.034 100 HB2 ASP 13 HB2 ASP 13 9.312 5.247 5.606 101 HB3 ASP 13 HB1 ASP 13 9.996 6.320 4.389 102 H GLU 14 HN GLU 14 8.004 7.820 2.733 103 HA GLU 14 HA GLU 14 8.896 10.492 3.318 104 HB2 GLU 14 HB2 GLU 14 7.702 9.307 0.805 105 HB3 GLU 14 HB1 GLU 14 8.350 10.936 0.933 106 HG2 GLU 14 HG2 GLU 14 10.542 9.960 1.535 107 HG3 GLU 14 HG1 GLU 14 9.870 8.360 1.233 108 HA PRO 15 HA PRO 15 4.895 11.490 4.979 109 HB2 PRO 15 HB2 PRO 15 5.971 14.224 4.929 110 HB3 PRO 15 HB1 PRO 15 5.298 13.303 6.270 111 HG2 PRO 15 HG2 PRO 15 7.922 13.729 6.093 112 HG3 PRO 15 HG1 PRO 15 7.283 12.178 6.668 113 HD2 PRO 15 HD2 PRO 15 8.416 12.885 3.992 114 HD3 PRO 15 HD1 PRO 15 8.616 11.406 4.946 115 H LEU 16 HN LEU 16 6.312 13.418 2.355 116 HA LEU 16 HA LEU 16 3.897 14.721 1.655 117 HB2 LEU 16 HB2 LEU 16 6.312 15.242 0.901 118 HB3 LEU 16 HB1 LEU 16 6.047 14.015 -0.319 119 HG LEU 16 HG LEU 16 4.360 16.500 -0.017 120 HD11 LEU 16 HD11 LEU 16 6.619 17.106 -0.638 121 HD12 LEU 16 HD12 LEU 16 5.532 17.311 -2.009 122 HD13 LEU 16 HD13 LEU 16 6.603 15.914 -1.935 123 HD21 LEU 16 HD21 LEU 16 4.489 14.434 -2.201 124 HD22 LEU 16 HD22 LEU 16 3.579 15.943 -2.278 125 HD23 LEU 16 HD23 LEU 16 3.148 14.713 -1.085 126 H ILE 17 HN ILE 17 5.481 11.834 0.343 127 HA ILE 17 HA ILE 17 3.534 11.242 -1.594 128 HB ILE 17 HB ILE 17 5.539 9.467 -0.193 129 HG12 ILE 17 HG12 ILE 17 6.542 9.486 -2.542 130 HG13 ILE 17 HG11 ILE 17 5.453 10.821 -2.881 131 HG21 ILE 17 HG21 ILE 17 3.735 8.775 -2.505 132 HG22 ILE 17 HG22 ILE 17 3.692 8.075 -0.886 133 HG23 ILE 17 HG23 ILE 17 5.081 7.789 -1.934 134 HD11 ILE 17 HD11 ILE 17 7.628 10.772 -0.810 135 HD12 ILE 17 HD12 ILE 17 6.514 12.109 -1.088 136 HD13 ILE 17 HD13 ILE 17 7.651 11.636 -2.347 137 H ALA 18 HN ALA 18 4.047 10.063 1.688 138 HA ALA 18 HA ALA 18 1.859 8.328 1.859 139 HB1 ALA 18 HB1 ALA 18 3.087 9.973 4.070 140 HB2 ALA 18 HB2 ALA 18 3.690 8.418 3.496 141 HB3 ALA 18 HB3 ALA 18 2.107 8.517 4.268 142 H MET 19 HN MET 19 2.119 11.765 2.676 143 HA MET 19 HA MET 19 -0.501 12.188 3.544 144 HB2 MET 19 HB2 MET 19 1.493 13.692 3.826 145 HB3 MET 19 HB1 MET 19 1.309 14.134 2.132 146 HG2 MET 19 HG2 MET 19 -1.025 14.854 2.700 147 HG3 MET 19 HG1 MET 19 -0.575 14.661 4.391 148 HE1 MET 19 HE1 MET 19 1.699 15.933 1.412 149 HE2 MET 19 HE2 MET 19 1.391 17.668 1.496 150 HE3 MET 19 HE3 MET 19 0.090 16.561 1.056 151 H ASN 20 HN ASN 20 1.008 12.495 0.379 152 HA ASN 20 HA ASN 20 -1.193 13.639 -0.953 153 HB2 ASN 20 HB2 ASN 20 1.318 13.476 -1.610 154 HB3 ASN 20 HB1 ASN 20 0.857 11.961 -2.320 155 HD21 ASN 20 HD21 ASN 20 1.851 14.423 -3.498 156 HD22 ASN 20 HD22 ASN 20 0.685 14.856 -4.695 157 H LEU 21 HN LEU 21 -0.058 10.288 -0.682 158 HA LEU 21 HA LEU 21 -2.141 9.110 -2.159 159 HB2 LEU 21 HB2 LEU 21 -0.350 8.094 0.030 160 HB3 LEU 21 HB1 LEU 21 -1.544 7.079 -0.743 161 HG LEU 21 HG LEU 21 0.613 8.503 -2.277 162 HD11 LEU 21 HD11 LEU 21 1.643 6.994 -0.654 163 HD12 LEU 21 HD12 LEU 21 1.829 6.409 -2.306 164 HD13 LEU 21 HD13 LEU 21 0.629 5.676 -1.241 165 HD21 LEU 21 HD21 LEU 21 -1.381 7.786 -3.514 166 HD22 LEU 21 HD22 LEU 21 -1.127 6.139 -2.937 167 HD23 LEU 21 HD23 LEU 21 0.064 6.896 -3.998 168 H GLN 22 HN GLN 22 -1.763 9.825 1.276 169 HA GLN 22 HA GLN 22 -4.100 8.748 2.272 170 HB2 GLN 22 HB2 GLN 22 -2.269 9.780 3.610 171 HB3 GLN 22 HB1 GLN 22 -2.834 11.362 3.099 172 HG2 GLN 22 HG2 GLN 22 -5.004 10.882 4.188 173 HG3 GLN 22 HG1 GLN 22 -4.321 9.373 4.781 174 HE21 GLN 22 HE21 GLN 22 -1.683 10.554 5.197 175 HE22 GLN 22 HE22 GLN 22 -1.814 11.506 6.634 176 H TYR 23 HN TYR 23 -3.590 12.029 0.966 177 HA TYR 23 HA TYR 23 -6.271 12.855 1.191 178 HB2 TYR 23 HB2 TYR 23 -3.986 13.768 -0.537 179 HB3 TYR 23 HB1 TYR 23 -5.581 14.497 -0.662 180 HD1 TYR 23 HD2 TYR 23 -6.451 14.677 2.110 181 HD2 TYR 23 HD1 TYR 23 -2.596 15.340 0.441 182 HE1 TYR 23 HE2 TYR 23 -5.894 16.154 3.992 183 HE2 TYR 23 HE1 TYR 23 -2.025 16.812 2.324 184 HH TYR 23 HH TYR 23 -3.260 18.226 4.000 185 H ALA 24 HN ALA 24 -4.572 11.049 -1.280 186 HA ALA 24 HA ALA 24 -6.491 11.408 -3.340 187 HB1 ALA 24 HB1 ALA 24 -4.190 10.755 -3.817 188 HB2 ALA 24 HB2 ALA 24 -5.330 9.579 -4.472 189 HB3 ALA 24 HB3 ALA 24 -4.445 9.219 -2.989 190 H PHE 25 HN PHE 25 -5.897 8.792 -1.016 191 HA PHE 25 HA PHE 25 -8.073 7.199 -1.864 192 HB2 PHE 25 HB2 PHE 25 -6.412 7.279 0.638 193 HB3 PHE 25 HB1 PHE 25 -7.788 6.193 0.496 194 HD1 PHE 25 HD2 PHE 25 -7.803 4.452 -1.254 195 HD2 PHE 25 HD1 PHE 25 -4.347 6.794 -0.435 196 HE1 PHE 25 HE2 PHE 25 -6.410 2.792 -2.410 197 HE2 PHE 25 HE1 PHE 25 -2.943 5.131 -1.602 198 HZ PHE 25 HZ PHE 25 -3.979 3.133 -2.584 199 H GLU 26 HN GLU 26 -7.730 9.643 0.692 200 HA GLU 26 HA GLU 26 -10.318 9.411 1.750 201 HB2 GLU 26 HB2 GLU 26 -8.451 11.770 1.589 202 HB3 GLU 26 HB1 GLU 26 -9.987 11.829 2.438 203 HG2 GLU 26 HG2 GLU 26 -9.192 9.950 3.860 204 HG3 GLU 26 HG1 GLU 26 -7.621 10.083 3.068 205 H ASP 27 HN ASP 27 -9.075 11.197 -1.015 206 HA ASP 27 HA ASP 27 -11.402 12.673 -1.601 207 HB2 ASP 27 HB2 ASP 27 -9.170 13.155 -2.558 208 HB3 ASP 27 HB1 ASP 27 -9.298 11.690 -3.518 209 H GLU 28 HN GLU 28 -10.403 9.411 -2.384 210 HA GLU 28 HA GLU 28 -12.599 8.957 -4.202 211 HB2 GLU 28 HB2 GLU 28 -10.591 7.087 -2.937 212 HB3 GLU 28 HB1 GLU 28 -11.833 6.563 -4.064 213 HG2 GLU 28 HG2 GLU 28 -9.670 8.563 -4.677 214 HG3 GLU 28 HG1 GLU 28 -9.631 6.858 -5.115 215 H GLY 29 HN GLY 29 -12.455 9.339 -0.960 216 HA2 GLY 29 HA2 GLY 29 -14.201 9.104 0.554 217 HA3 GLY 29 HA1 GLY 29 -15.012 8.039 -0.582 218 H ALA 30 HN ALA 30 -11.821 7.913 0.986 219 HA ALA 30 HA ALA 30 -12.625 5.415 2.307 220 HB1 ALA 30 HB1 ALA 30 -11.434 4.818 0.242 221 HB2 ALA 30 HB2 ALA 30 -10.517 4.359 1.677 222 HB3 ALA 30 HB3 ALA 30 -10.058 5.793 0.759 223 H GLU 31 HN GLU 31 -11.231 4.830 4.098 224 HA GLU 31 HA GLU 31 -10.114 7.200 5.419 225 HB2 GLU 31 HB2 GLU 31 -11.851 5.804 6.589 226 HB3 GLU 31 HB1 GLU 31 -10.696 4.478 6.601 227 HG2 GLU 31 HG2 GLU 31 -9.136 5.933 7.873 228 HG3 GLU 31 HG1 GLU 31 -10.421 7.136 7.976 229 H VAL 32 HN VAL 32 -7.956 7.237 6.106 230 HA VAL 32 HA VAL 32 -6.312 5.084 4.932 231 HB VAL 32 HB VAL 32 -5.544 7.990 5.073 232 HG11 VAL 32 HG11 VAL 32 -4.304 5.690 3.569 233 HG12 VAL 32 HG12 VAL 32 -3.683 6.392 5.062 234 HG13 VAL 32 HG13 VAL 32 -3.730 7.360 3.587 235 HG21 VAL 32 HG21 VAL 32 -5.954 8.108 2.671 236 HG22 VAL 32 HG22 VAL 32 -7.435 7.714 3.548 237 HG23 VAL 32 HG23 VAL 32 -6.556 6.449 2.688 238 H VAL 33 HN VAL 33 -4.919 4.138 6.241 239 HA VAL 33 HA VAL 33 -4.015 5.543 8.668 240 HB VAL 33 HB VAL 33 -3.570 2.639 8.034 241 HG11 VAL 33 HG11 VAL 33 -3.461 4.197 10.608 242 HG12 VAL 33 HG12 VAL 33 -2.085 3.568 9.701 243 HG13 VAL 33 HG13 VAL 33 -3.223 2.456 10.461 244 HG21 VAL 33 HG21 VAL 33 -5.978 3.022 8.084 245 HG22 VAL 33 HG22 VAL 33 -5.824 3.795 9.663 246 HG23 VAL 33 HG23 VAL 33 -5.446 2.079 9.478 247 H VAL 34 HN VAL 34 -1.832 6.053 8.855 248 HA VAL 34 HA VAL 34 -0.206 5.373 6.496 249 HB VAL 34 HB VAL 34 0.080 7.751 8.341 250 HG11 VAL 34 HG11 VAL 34 1.612 6.986 5.857 251 HG12 VAL 34 HG12 VAL 34 2.239 7.027 7.503 252 HG13 VAL 34 HG13 VAL 34 1.755 8.524 6.706 253 HG21 VAL 34 HG21 VAL 34 -0.613 9.067 6.390 254 HG22 VAL 34 HG22 VAL 34 -1.870 7.934 6.890 255 HG23 VAL 34 HG23 VAL 34 -0.870 7.576 5.482 256 H ALA 35 HN ALA 35 1.437 4.063 6.791 257 HA ALA 35 HA ALA 35 2.731 3.966 9.436 258 HB1 ALA 35 HB1 ALA 35 2.988 1.608 9.298 259 HB2 ALA 35 HB2 ALA 35 2.386 1.574 7.638 260 HB3 ALA 35 HB3 ALA 35 1.289 1.959 8.969 261 H ALA 36 HN ALA 36 4.898 4.093 9.416 262 HA ALA 36 HA ALA 36 6.192 4.355 6.797 263 HB1 ALA 36 HB1 ALA 36 7.936 5.562 7.964 264 HB2 ALA 36 HB2 ALA 36 7.181 5.185 9.515 265 HB3 ALA 36 HB3 ALA 36 6.357 6.239 8.368 266 H THR 37 HN THR 37 5.866 2.165 9.323 267 HA THR 37 HA THR 37 8.301 0.746 8.486 268 HB THR 37 HB THR 37 8.616 -0.078 10.766 269 HG1 THR 37 HG1 THR 37 7.294 1.110 12.426 270 HG21 THR 37 HG21 THR 37 9.311 1.994 11.858 271 HG22 THR 37 HG22 THR 37 8.353 2.927 10.712 272 HG23 THR 37 HG23 THR 37 9.749 2.007 10.150 273 H CYS 38 HN CYS 38 8.135 -1.647 9.209 274 HA CYS 38 HA CYS 38 5.636 -2.708 8.301 275 HB2 CYS 38 HB2 CYS 38 8.003 -4.094 9.585 276 HB3 CYS 38 HB1 CYS 38 6.638 -4.913 8.838 277 HG CYS 38 HG CYS 38 8.875 -2.899 7.203 278 H GLU 39 HN GLU 39 7.155 -2.073 11.379 279 HA GLU 39 HA GLU 39 5.451 -3.520 13.067 280 HB2 GLU 39 HB2 GLU 39 6.819 -0.895 13.620 281 HB3 GLU 39 HB1 GLU 39 6.183 -1.993 14.832 282 HG2 GLU 39 HG2 GLU 39 7.796 -3.691 14.115 283 HG3 GLU 39 HG1 GLU 39 8.447 -2.555 12.936 284 H GLN 40 HN GLN 40 5.303 -0.106 12.065 285 HA GLN 40 HA GLN 40 2.903 0.595 13.274 286 HB2 GLN 40 HB2 GLN 40 4.405 1.537 10.875 287 HB3 GLN 40 HB1 GLN 40 2.781 2.139 11.135 288 HG2 GLN 40 HG2 GLN 40 3.401 3.076 13.233 289 HG3 GLN 40 HG1 GLN 40 4.991 2.327 13.146 290 HE21 GLN 40 HE21 GLN 40 6.566 3.245 11.933 291 HE22 GLN 40 HE22 GLN 40 6.416 4.815 11.222 292 H ALA 41 HN ALA 41 3.519 -0.910 10.163 293 HA ALA 41 HA ALA 41 0.894 -0.869 9.177 294 HB1 ALA 41 HB1 ALA 41 1.646 -2.333 7.522 295 HB2 ALA 41 HB2 ALA 41 2.881 -3.024 8.575 296 HB3 ALA 41 HB3 ALA 41 3.065 -1.380 7.963 297 H LEU 42 HN LEU 42 2.696 -3.480 10.795 298 HA LEU 42 HA LEU 42 0.618 -5.334 10.859 299 HB2 LEU 42 HB2 LEU 42 2.886 -4.990 12.816 300 HB3 LEU 42 HB1 LEU 42 1.911 -6.428 12.624 301 HG LEU 42 HG LEU 42 3.794 -5.277 10.570 302 HD11 LEU 42 HD11 LEU 42 3.961 -7.768 12.251 303 HD12 LEU 42 HD12 LEU 42 4.958 -6.322 12.411 304 HD13 LEU 42 HD13 LEU 42 5.081 -7.324 10.964 305 HD21 LEU 42 HD21 LEU 42 3.315 -7.326 9.286 306 HD22 LEU 42 HD22 LEU 42 1.897 -6.295 9.463 307 HD23 LEU 42 HD23 LEU 42 2.060 -7.747 10.451 308 H LYS 43 HN LYS 43 1.316 -2.606 12.921 309 HA LYS 43 HA LYS 43 -0.405 -3.294 15.058 310 HB2 LYS 43 HB2 LYS 43 1.376 -1.508 15.106 311 HB3 LYS 43 HB1 LYS 43 0.330 -0.507 14.116 312 HG2 LYS 43 HG2 LYS 43 -0.566 -1.565 16.781 313 HG3 LYS 43 HG1 LYS 43 0.375 -0.083 16.637 314 HD2 LYS 43 HD2 LYS 43 -1.342 0.924 15.272 315 HD3 LYS 43 HD1 LYS 43 -2.252 -0.586 15.240 316 HE2 LYS 43 HE2 LYS 43 -3.240 0.950 16.833 317 HE3 LYS 43 HE1 LYS 43 -2.553 -0.436 17.675 318 HZ1 LYS 43 HZ1 LYS 43 -1.327 2.259 17.434 319 HZ2 LYS 43 HZ2 LYS 43 -0.596 0.928 18.178 320 HZ3 LYS 43 HZ3 LYS 43 -2.008 1.585 18.826 321 H SER 44 HN SER 44 -0.895 -1.096 12.297 322 HA SER 44 HA SER 44 -3.639 -0.678 12.801 323 HB2 SER 44 HB2 SER 44 -2.297 0.822 11.382 324 HB3 SER 44 HB1 SER 44 -2.141 -0.454 10.178 325 HG SER 44 HG SER 44 -3.826 0.825 9.546 326 H LEU 45 HN LEU 45 -1.894 -3.083 10.943 327 HA LEU 45 HA LEU 45 -4.017 -4.236 9.541 328 HB2 LEU 45 HB2 LEU 45 -1.270 -4.842 10.164 329 HB3 LEU 45 HB1 LEU 45 -2.242 -6.293 10.232 330 HG LEU 45 HG LEU 45 -1.252 -6.053 8.038 331 HD11 LEU 45 HD11 LEU 45 -3.475 -7.055 8.203 332 HD12 LEU 45 HD12 LEU 45 -3.242 -6.213 6.673 333 HD13 LEU 45 HD13 LEU 45 -4.206 -5.470 7.947 334 HD21 LEU 45 HD21 LEU 45 -0.921 -3.670 7.962 335 HD22 LEU 45 HD22 LEU 45 -2.660 -3.390 7.959 336 HD23 LEU 45 HD23 LEU 45 -1.890 -4.166 6.574 337 H ALA 46 HN ALA 46 -2.843 -4.729 12.833 338 HA ALA 46 HA ALA 46 -4.633 -6.970 13.271 339 HB1 ALA 46 HB1 ALA 46 -2.406 -6.961 14.283 340 HB2 ALA 46 HB2 ALA 46 -3.672 -7.031 15.508 341 HB3 ALA 46 HB3 ALA 46 -2.828 -5.515 15.199 342 H ASP 47 HN ASP 47 -4.410 -3.574 14.116 343 HA ASP 47 HA ASP 47 -6.508 -3.643 16.063 344 HB2 ASP 47 HB2 ASP 47 -4.691 -1.990 16.150 345 HB3 ASP 47 HB1 ASP 47 -5.243 -1.298 14.632 346 H ASN 48 HN ASN 48 -6.282 -2.840 12.657 347 HA ASN 48 HA ASN 48 -9.182 -2.299 12.647 348 HB2 ASN 48 HB2 ASN 48 -7.083 -1.107 10.835 349 HB3 ASN 48 HB1 ASN 48 -8.800 -0.782 10.756 350 HD21 ASN 48 HD21 ASN 48 -5.849 -0.078 12.288 351 HD22 ASN 48 HD22 ASN 48 -6.425 1.158 13.352 352 HA PRO 49 HA PRO 49 -9.335 -5.258 9.302 353 HB2 PRO 49 HB2 PRO 49 -11.747 -4.640 8.286 354 HB3 PRO 49 HB1 PRO 49 -11.558 -5.362 9.885 355 HG2 PRO 49 HG2 PRO 49 -12.364 -2.636 9.161 356 HG3 PRO 49 HG1 PRO 49 -12.557 -3.488 10.702 357 HD2 PRO 49 HD2 PRO 49 -10.524 -1.570 9.912 358 HD3 PRO 49 HD1 PRO 49 -10.825 -2.262 11.514 359 H ILE 50 HN ILE 50 -7.610 -4.375 8.053 360 HA ILE 50 HA ILE 50 -7.870 -2.217 6.270 361 HB ILE 50 HB ILE 50 -5.926 -4.523 6.315 362 HG12 ILE 50 HG12 ILE 50 -5.786 -3.154 8.291 363 HG13 ILE 50 HG11 ILE 50 -4.399 -2.821 7.268 364 HG21 ILE 50 HG21 ILE 50 -6.066 -3.519 4.084 365 HG22 ILE 50 HG22 ILE 50 -4.509 -3.237 4.861 366 HG23 ILE 50 HG23 ILE 50 -5.705 -1.945 4.791 367 HD11 ILE 50 HD11 ILE 50 -6.816 -1.108 7.727 368 HD12 ILE 50 HD12 ILE 50 -5.686 -0.828 6.402 369 HD13 ILE 50 HD13 ILE 50 -5.124 -0.738 8.075 370 H ASP 51 HN ASP 51 -9.050 -2.117 4.496 371 HA ASP 51 HA ASP 51 -9.989 -4.516 3.173 372 HB2 ASP 51 HB2 ASP 51 -10.477 -1.576 2.657 373 HB3 ASP 51 HB1 ASP 51 -11.124 -2.850 1.632 374 H VAL 52 HN VAL 52 -7.645 -1.987 2.698 375 HA VAL 52 HA VAL 52 -6.388 -3.452 0.564 376 HB VAL 52 HB VAL 52 -8.140 -2.215 -0.666 377 HG11 VAL 52 HG11 VAL 52 -7.890 0.260 -0.861 378 HG12 VAL 52 HG12 VAL 52 -6.794 0.198 0.517 379 HG13 VAL 52 HG13 VAL 52 -8.476 -0.302 0.703 380 HG21 VAL 52 HG21 VAL 52 -6.048 -2.719 -1.788 381 HG22 VAL 52 HG22 VAL 52 -5.344 -1.221 -1.174 382 HG23 VAL 52 HG23 VAL 52 -6.680 -1.160 -2.326 383 H ALA 53 HN ALA 53 -4.285 -2.601 0.055 384 HA ALA 53 HA ALA 53 -3.351 -0.470 1.833 385 HB1 ALA 53 HB1 ALA 53 -2.007 -3.152 1.551 386 HB2 ALA 53 HB2 ALA 53 -2.902 -2.587 2.962 387 HB3 ALA 53 HB3 ALA 53 -1.407 -1.781 2.486 388 H VAL 54 HN VAL 54 -1.254 0.366 1.255 389 HA VAL 54 HA VAL 54 -0.386 -0.186 -1.496 390 HB VAL 54 HB VAL 54 0.116 2.555 -0.868 391 HG11 VAL 54 HG11 VAL 54 -1.262 2.879 -2.940 392 HG12 VAL 54 HG12 VAL 54 -1.527 1.128 -2.940 393 HG13 VAL 54 HG13 VAL 54 0.120 1.781 -3.095 394 HG21 VAL 54 HG21 VAL 54 -2.162 3.440 -0.802 395 HG22 VAL 54 HG22 VAL 54 -1.822 2.447 0.614 396 HG23 VAL 54 HG23 VAL 54 -2.800 1.800 -0.701 397 H LEU 55 HN LEU 55 1.658 -0.882 -1.317 398 HA LEU 55 HA LEU 55 3.132 -0.015 1.062 399 HB2 LEU 55 HB2 LEU 55 3.092 -2.588 -0.455 400 HB3 LEU 55 HB1 LEU 55 4.517 -2.149 0.467 401 HG LEU 55 HG LEU 55 3.187 -2.049 2.521 402 HD11 LEU 55 HD11 LEU 55 0.883 -2.931 0.798 403 HD12 LEU 55 HD12 LEU 55 1.057 -1.358 1.580 404 HD13 LEU 55 HD13 LEU 55 0.880 -2.816 2.558 405 HD21 LEU 55 HD21 LEU 55 2.518 -4.482 2.610 406 HD22 LEU 55 HD22 LEU 55 4.185 -4.138 2.135 407 HD23 LEU 55 HD23 LEU 55 2.993 -4.576 0.908 408 H ASP 56 HN ASP 56 4.166 1.743 0.391 409 HA ASP 56 HA ASP 56 5.714 1.796 -2.008 410 HB2 ASP 56 HB2 ASP 56 5.069 3.662 0.164 411 HB3 ASP 56 HB1 ASP 56 6.707 3.832 -0.459 412 H VAL 57 HN VAL 57 7.143 0.211 -2.038 413 HA VAL 57 HA VAL 57 8.434 -0.982 0.097 414 HB VAL 57 HB VAL 57 9.491 -0.807 -2.728 415 HG11 VAL 57 HG11 VAL 57 10.514 -2.957 -2.248 416 HG12 VAL 57 HG12 VAL 57 9.861 -2.921 -0.612 417 HG13 VAL 57 HG13 VAL 57 11.072 -1.737 -1.104 418 HG21 VAL 57 HG21 VAL 57 8.211 -2.858 -3.147 419 HG22 VAL 57 HG22 VAL 57 7.160 -1.499 -2.746 420 HG23 VAL 57 HG23 VAL 57 7.502 -2.737 -1.535 421 H ASN 58 HN ASN 58 9.258 1.925 -1.592 422 HA ASN 58 HA ASN 58 11.962 2.040 -0.659 423 HB2 ASN 58 HB2 ASN 58 11.658 4.475 -1.526 424 HB3 ASN 58 HB1 ASN 58 11.733 3.154 -2.670 425 HD21 ASN 58 HD21 ASN 58 8.953 4.045 -0.667 426 HD22 ASN 58 HD22 ASN 58 7.922 4.445 -2.000 427 H LEU 59 HN LEU 59 11.136 1.634 1.625 428 HA LEU 59 HA LEU 59 10.101 3.975 2.988 429 HB2 LEU 59 HB2 LEU 59 11.124 1.365 4.113 430 HB3 LEU 59 HB1 LEU 59 10.291 2.609 5.021 431 HG LEU 59 HG LEU 59 9.109 0.925 2.814 432 HD11 LEU 59 HD11 LEU 59 9.475 -0.258 4.939 433 HD12 LEU 59 HD12 LEU 59 7.763 -0.055 4.568 434 HD13 LEU 59 HD13 LEU 59 8.534 0.979 5.773 435 HD21 LEU 59 HD21 LEU 59 8.161 3.157 2.779 436 HD22 LEU 59 HD22 LEU 59 7.852 3.075 4.514 437 HD23 LEU 59 HD23 LEU 59 6.990 2.001 3.411 438 H GLY 60 HN GLY 60 13.138 2.326 2.509 439 HA2 GLY 60 HA2 GLY 60 14.650 4.645 3.116 440 HA3 GLY 60 HA1 GLY 60 14.728 3.501 4.448 441 HA PRO 61 HA PRO 61 18.125 2.617 1.282 442 HB2 PRO 61 HB2 PRO 61 19.539 2.228 3.846 443 HB3 PRO 61 HB1 PRO 61 20.090 3.027 2.376 444 HG2 PRO 61 HG2 PRO 61 19.392 4.450 4.512 445 HG3 PRO 61 HG1 PRO 61 18.983 4.999 2.876 446 HD2 PRO 61 HD2 PRO 61 17.239 3.732 4.941 447 HD3 PRO 61 HD1 PRO 61 16.864 5.015 3.776 448 H LYS 62 HN LYS 62 17.203 1.068 4.312 449 HA LYS 62 HA LYS 62 17.530 -1.554 3.001 450 HB2 LYS 62 HB2 LYS 62 17.755 -1.049 5.971 451 HB3 LYS 62 HB1 LYS 62 18.123 -2.536 5.109 452 HG2 LYS 62 HG2 LYS 62 20.009 -1.434 4.016 453 HG3 LYS 62 HG1 LYS 62 19.639 0.056 4.886 454 HD2 LYS 62 HD2 LYS 62 19.928 -1.229 7.018 455 HD3 LYS 62 HD1 LYS 62 20.513 -2.582 6.050 456 HE2 LYS 62 HE2 LYS 62 21.729 0.175 6.176 457 HE3 LYS 62 HE1 LYS 62 22.367 -1.274 6.948 458 HZ1 LYS 62 HZ1 LYS 62 22.110 -0.793 4.030 459 HZ2 LYS 62 HZ2 LYS 62 22.602 -2.256 4.716 460 HZ3 LYS 62 HZ3 LYS 62 23.545 -0.871 4.921 461 H SER 63 HN SER 63 15.600 0.555 4.975 462 HA SER 63 HA SER 63 13.677 -1.280 5.867 463 HB2 SER 63 HB2 SER 63 13.386 1.686 5.360 464 HB3 SER 63 HB1 SER 63 12.321 0.690 6.350 465 HG SER 63 HG SER 63 13.834 0.541 7.880 466 H HIS 64 HN HIS 64 12.094 -2.265 4.872 467 HA HIS 64 HA HIS 64 10.822 -1.071 2.532 468 HB2 HIS 64 HB2 HIS 64 11.001 -3.137 1.220 469 HB3 HIS 64 HB1 HIS 64 12.600 -2.514 1.602 470 HD1 HIS 64 HD1 HIS 64 10.193 -5.206 2.780 471 HD2 HIS 64 HD2 HIS 64 14.246 -4.321 2.784 472 HE1 HIS 64 HE1 HIS 64 11.315 -7.217 3.774 473 HE2 HIS 64 HE2 HIS 64 13.777 -6.680 3.734 474 H CYS 65 HN CYS 65 8.710 -1.922 2.130 475 HA CYS 65 HA CYS 65 7.381 -3.027 4.427 476 HB2 CYS 65 HB2 CYS 65 6.056 -2.966 1.792 477 HB3 CYS 65 HB1 CYS 65 5.456 -2.457 3.355 478 HG CYS 65 HG CYS 65 5.869 0.056 3.015 479 H GLY 66 HN GLY 66 8.412 -5.072 4.705 480 HA2 GLY 66 HA2 GLY 66 8.037 -7.000 2.503 481 HA3 GLY 66 HA1 GLY 66 9.189 -7.175 3.819 482 HA PRO 67 HA PRO 67 6.424 -9.613 6.305 483 HB2 PRO 67 HB2 PRO 67 6.411 -7.482 8.363 484 HB3 PRO 67 HB1 PRO 67 6.813 -9.189 8.513 485 HG2 PRO 67 HG2 PRO 67 8.693 -7.268 8.518 486 HG3 PRO 67 HG1 PRO 67 8.980 -8.888 7.860 487 HD2 PRO 67 HD2 PRO 67 8.606 -6.318 6.449 488 HD3 PRO 67 HD1 PRO 67 9.468 -7.778 5.946 489 H VAL 68 HN VAL 68 5.731 -6.242 5.795 490 HA VAL 68 HA VAL 68 3.031 -6.178 6.631 491 HB VAL 68 HB VAL 68 4.271 -4.569 4.391 492 HG11 VAL 68 HG11 VAL 68 2.609 -2.912 4.923 493 HG12 VAL 68 HG12 VAL 68 1.996 -3.906 6.248 494 HG13 VAL 68 HG13 VAL 68 1.822 -4.454 4.580 495 HG21 VAL 68 HG21 VAL 68 4.805 -2.885 6.098 496 HG22 VAL 68 HG22 VAL 68 5.674 -4.397 6.369 497 HG23 VAL 68 HG23 VAL 68 4.265 -4.001 7.356 498 H ALA 69 HN ALA 69 4.626 -6.949 3.609 499 HA ALA 69 HA ALA 69 2.350 -7.237 1.979 500 HB1 ALA 69 HB1 ALA 69 5.088 -8.489 1.810 501 HB2 ALA 69 HB2 ALA 69 4.560 -6.996 1.035 502 HB3 ALA 69 HB3 ALA 69 3.880 -8.544 0.527 503 H ASP 70 HN ASP 70 4.197 -9.505 3.963 504 HA ASP 70 HA ASP 70 2.725 -11.823 3.315 505 HB2 ASP 70 HB2 ASP 70 4.223 -11.136 5.866 506 HB3 ASP 70 HB1 ASP 70 3.647 -12.742 5.437 507 H ALA 71 HN ALA 71 2.445 -9.503 5.992 508 HA ALA 71 HA ALA 71 0.325 -10.537 7.405 509 HB1 ALA 71 HB1 ALA 71 1.595 -8.508 8.015 510 HB2 ALA 71 HB2 ALA 71 -0.150 -8.273 8.119 511 HB3 ALA 71 HB3 ALA 71 0.747 -7.621 6.744 512 H LEU 72 HN LEU 72 0.191 -8.361 4.631 513 HA LEU 72 HA LEU 72 -2.611 -8.278 4.400 514 HB2 LEU 72 HB2 LEU 72 -0.406 -7.753 2.425 515 HB3 LEU 72 HB1 LEU 72 -2.097 -7.400 2.120 516 HG LEU 72 HG LEU 72 -0.491 -6.208 4.378 517 HD11 LEU 72 HD11 LEU 72 0.361 -5.453 2.271 518 HD12 LEU 72 HD12 LEU 72 -0.553 -4.165 3.065 519 HD13 LEU 72 HD13 LEU 72 -1.271 -5.058 1.719 520 HD21 LEU 72 HD21 LEU 72 -2.903 -6.373 4.793 521 HD22 LEU 72 HD22 LEU 72 -3.219 -5.542 3.274 522 HD23 LEU 72 HD23 LEU 72 -2.393 -4.697 4.587 523 H LYS 73 HN LYS 73 -0.147 -10.146 2.685 524 HA LYS 73 HA LYS 73 -1.835 -11.560 0.976 525 HB2 LYS 73 HB2 LYS 73 0.894 -12.005 2.061 526 HB3 LYS 73 HB1 LYS 73 0.120 -13.293 1.152 527 HG2 LYS 73 HG2 LYS 73 -0.371 -11.327 -0.538 528 HG3 LYS 73 HG1 LYS 73 1.027 -10.616 0.262 529 HD2 LYS 73 HD2 LYS 73 0.935 -13.334 -1.002 530 HD3 LYS 73 HD1 LYS 73 1.628 -11.897 -1.755 531 HE2 LYS 73 HE2 LYS 73 3.233 -11.734 0.110 532 HE3 LYS 73 HE1 LYS 73 2.566 -13.216 0.792 533 HZ1 LYS 73 HZ1 LYS 73 4.585 -13.626 -0.490 534 HZ2 LYS 73 HZ2 LYS 73 3.854 -12.986 -1.877 535 HZ3 LYS 73 HZ3 LYS 73 3.253 -14.408 -1.182 536 H GLN 74 HN GLN 74 -0.934 -12.165 4.315 537 HA GLN 74 HA GLN 74 -2.036 -14.778 4.465 538 HB2 GLN 74 HB2 GLN 74 -1.316 -12.745 6.559 539 HB3 GLN 74 HB1 GLN 74 -2.033 -14.301 6.973 540 HG2 GLN 74 HG2 GLN 74 0.584 -13.811 5.577 541 HG3 GLN 74 HG1 GLN 74 0.331 -14.463 7.193 542 HE21 GLN 74 HE21 GLN 74 1.726 -15.594 4.881 543 HE22 GLN 74 HE22 GLN 74 0.978 -17.123 4.581 544 H ARG 75 HN ARG 75 -3.372 -11.567 4.958 545 HA ARG 75 HA ARG 75 -5.923 -12.720 5.790 546 HB2 ARG 75 HB2 ARG 75 -5.059 -9.839 5.548 547 HB3 ARG 75 HB1 ARG 75 -6.596 -10.392 6.195 548 HG2 ARG 75 HG2 ARG 75 -5.357 -11.583 7.977 549 HG3 ARG 75 HG1 ARG 75 -3.866 -10.865 7.360 550 HD2 ARG 75 HD2 ARG 75 -4.742 -8.641 7.760 551 HD3 ARG 75 HD1 ARG 75 -6.272 -9.322 8.304 552 HE ARG 75 HE ARG 75 -3.789 -9.955 9.733 553 HH11 ARG 75 HH11 ARG 75 -6.996 -8.548 9.666 554 HH12 ARG 75 HH12 ARG 75 -7.051 -8.281 11.380 555 HH21 ARG 75 HH21 ARG 75 -3.877 -9.632 11.997 556 HH22 ARG 75 HH22 ARG 75 -5.294 -8.927 12.707 557 H ALA 76 HN ALA 76 -4.502 -12.404 2.977 558 HA ALA 76 HA ALA 76 -5.127 -12.246 0.805 559 HB1 ALA 76 HB1 ALA 76 -7.911 -12.595 1.909 560 HB2 ALA 76 HB2 ALA 76 -6.798 -13.896 1.486 561 HB3 ALA 76 HB3 ALA 76 -7.421 -12.826 0.230 562 H ILE 77 HN ILE 77 -4.832 -9.795 2.291 563 HA ILE 77 HA ILE 77 -6.902 -8.032 1.275 564 HB ILE 77 HB ILE 77 -4.386 -7.430 2.839 565 HG12 ILE 77 HG12 ILE 77 -7.242 -7.397 3.813 566 HG13 ILE 77 HG11 ILE 77 -6.214 -8.819 3.946 567 HG21 ILE 77 HG21 ILE 77 -5.056 -5.499 1.556 568 HG22 ILE 77 HG22 ILE 77 -5.459 -5.236 3.254 569 HG23 ILE 77 HG23 ILE 77 -6.724 -5.674 2.103 570 HD11 ILE 77 HD11 ILE 77 -5.601 -6.133 5.149 571 HD12 ILE 77 HD12 ILE 77 -4.672 -7.620 5.349 572 HD13 ILE 77 HD13 ILE 77 -6.301 -7.501 6.011 573 HA PRO 78 HA PRO 78 -4.551 -7.174 -2.400 574 HB2 PRO 78 HB2 PRO 78 -6.129 -5.099 -3.253 575 HB3 PRO 78 HB1 PRO 78 -6.445 -6.804 -3.555 576 HG2 PRO 78 HG2 PRO 78 -7.788 -4.949 -1.739 577 HG3 PRO 78 HG1 PRO 78 -8.350 -6.497 -2.379 578 HD2 PRO 78 HD2 PRO 78 -7.364 -5.953 0.217 579 HD3 PRO 78 HD1 PRO 78 -7.783 -7.530 -0.461 580 H PHE 79 HN PHE 79 -2.928 -5.859 -2.904 581 HA PHE 79 HA PHE 79 -2.814 -3.139 -1.954 582 HB2 PHE 79 HB2 PHE 79 -0.662 -3.418 -0.783 583 HB3 PHE 79 HB1 PHE 79 -1.983 -4.251 0.014 584 HD1 PHE 79 HD2 PHE 79 -2.149 -6.715 -0.139 585 HD2 PHE 79 HD1 PHE 79 1.213 -4.569 -1.595 586 HE1 PHE 79 HE2 PHE 79 -0.838 -8.791 -0.157 587 HE2 PHE 79 HE1 PHE 79 2.539 -6.646 -1.619 588 HZ PHE 79 HZ PHE 79 1.514 -8.760 -0.857 589 H ILE 80 HN ILE 80 -1.066 -1.974 -2.836 590 HA ILE 80 HA ILE 80 0.127 -3.265 -5.210 591 HB ILE 80 HB ILE 80 -0.556 -0.340 -4.871 592 HG12 ILE 80 HG12 ILE 80 -1.897 -2.473 -6.539 593 HG13 ILE 80 HG11 ILE 80 -2.570 -1.714 -5.100 594 HG21 ILE 80 HG21 ILE 80 0.446 -1.838 -7.289 595 HG22 ILE 80 HG22 ILE 80 1.386 -0.716 -6.304 596 HG23 ILE 80 HG23 ILE 80 0.007 -0.128 -7.235 597 HD11 ILE 80 HD11 ILE 80 -3.536 -0.790 -7.109 598 HD12 ILE 80 HD12 ILE 80 -1.934 -0.336 -7.693 599 HD13 ILE 80 HD13 ILE 80 -2.599 0.432 -6.251 600 H LEU 81 HN LEU 81 2.304 -3.086 -5.446 601 HA LEU 81 HA LEU 81 3.773 -1.796 -3.289 602 HB2 LEU 81 HB2 LEU 81 4.783 -3.372 -5.659 603 HB3 LEU 81 HB1 LEU 81 5.788 -2.732 -4.379 604 HG LEU 81 HG LEU 81 5.588 -4.949 -3.791 605 HD11 LEU 81 HD11 LEU 81 4.975 -3.519 -1.918 606 HD12 LEU 81 HD12 LEU 81 4.129 -5.064 -1.841 607 HD13 LEU 81 HD13 LEU 81 3.278 -3.619 -2.386 608 HD21 LEU 81 HD21 LEU 81 3.918 -5.476 -5.547 609 HD22 LEU 81 HD22 LEU 81 2.652 -4.904 -4.457 610 HD23 LEU 81 HD23 LEU 81 3.632 -6.304 -4.014 611 H HIS 82 HN HIS 82 3.956 0.289 -3.499 612 HA HIS 82 HA HIS 82 4.429 1.410 -6.165 613 HB2 HIS 82 HB2 HIS 82 2.538 2.339 -4.942 614 HB3 HIS 82 HB1 HIS 82 3.554 2.704 -3.559 615 HD1 HIS 82 HD1 HIS 82 3.438 5.183 -3.492 616 HD2 HIS 82 HD2 HIS 82 4.313 3.749 -7.296 617 HE1 HIS 82 HE1 HIS 82 3.676 7.222 -4.966 618 HE2 HIS 82 HE2 HIS 82 4.481 6.326 -7.166 619 H THR 83 HN THR 83 6.478 2.000 -6.692 620 HA THR 83 HA THR 83 8.299 2.958 -4.685 621 HB THR 83 HB THR 83 8.473 0.624 -4.126 622 HG1 THR 83 HG1 THR 83 10.797 0.459 -5.389 623 HG21 THR 83 HG21 THR 83 9.156 -1.075 -5.755 624 HG22 THR 83 HG22 THR 83 9.081 0.129 -7.041 625 HG23 THR 83 HG23 THR 83 7.610 -0.345 -6.192 626 H GLY 84 HN GLY 84 10.047 3.990 -5.508 627 HA2 GLY 84 HA2 GLY 84 10.160 4.321 -8.409 628 HA3 GLY 84 HA1 GLY 84 11.043 5.263 -7.213 629 H ASP 85 HN ASP 85 11.496 2.328 -6.132 630 HA ASP 85 HA ASP 85 13.875 1.820 -7.791 631 HB2 ASP 85 HB2 ASP 85 14.453 2.392 -5.486 632 HB3 ASP 85 HB1 ASP 85 13.361 1.149 -4.884 633 H LEU 86 HN LEU 86 13.607 0.141 -9.101 634 HA LEU 86 HA LEU 86 11.812 -2.024 -8.228 635 HB2 LEU 86 HB2 LEU 86 12.426 -1.084 -11.030 636 HB3 LEU 86 HB1 LEU 86 11.420 -2.461 -10.629 637 HG LEU 86 HG LEU 86 10.788 0.371 -9.794 638 HD11 LEU 86 HD11 LEU 86 10.746 0.195 -12.219 639 HD12 LEU 86 HD12 LEU 86 9.110 0.327 -11.576 640 HD13 LEU 86 HD13 LEU 86 9.722 -1.237 -12.112 641 HD21 LEU 86 HD21 LEU 86 9.798 -1.353 -8.383 642 HD22 LEU 86 HD22 LEU 86 9.137 -2.151 -9.811 643 HD23 LEU 86 HD23 LEU 86 8.568 -0.543 -9.355 644 H ASP 87 HN ASP 87 15.003 -1.220 -9.176 645 HA ASP 87 HA ASP 87 15.655 -3.917 -10.017 646 HB2 ASP 87 HB2 ASP 87 16.735 -1.936 -11.074 647 HB3 ASP 87 HB1 ASP 87 17.543 -1.608 -9.544 648 H ARG 88 HN ARG 88 16.589 -1.770 -7.333 649 HA ARG 88 HA ARG 88 18.175 -3.720 -6.006 650 HB2 ARG 88 HB2 ARG 88 18.426 -1.276 -5.722 651 HB3 ARG 88 HB1 ARG 88 16.885 -1.233 -4.886 652 HG2 ARG 88 HG2 ARG 88 19.043 -3.007 -3.854 653 HG3 ARG 88 HG1 ARG 88 19.137 -1.275 -3.570 654 HD2 ARG 88 HD2 ARG 88 16.679 -1.548 -2.751 655 HD3 ARG 88 HD1 ARG 88 17.109 -3.249 -2.603 656 HE ARG 88 HE ARG 88 18.245 -1.021 -1.065 657 HH11 ARG 88 HH11 ARG 88 18.052 -4.474 -1.645 658 HH12 ARG 88 HH12 ARG 88 18.687 -4.896 -0.089 659 HH21 ARG 88 HH21 ARG 88 19.034 -1.572 0.995 660 HH22 ARG 88 HH22 ARG 88 19.234 -3.245 1.420 661 H HIS 89 HN HIS 89 14.796 -2.789 -5.828 662 HA HIS 89 HA HIS 89 14.336 -4.826 -3.757 663 HB2 HIS 89 HB2 HIS 89 12.551 -2.643 -4.843 664 HB3 HIS 89 HB1 HIS 89 12.020 -3.851 -3.680 665 HD1 HIS 89 HD1 HIS 89 13.813 -3.867 -1.450 666 HD2 HIS 89 HD2 HIS 89 13.256 -0.370 -3.618 667 HE1 HIS 89 HE1 HIS 89 14.521 -2.004 0.078 668 HE2 HIS 89 HE2 HIS 89 14.409 0.064 -1.347 669 H GLY 90 HN GLY 90 14.809 -5.209 -6.774 670 HA2 GLY 90 HA2 GLY 90 12.401 -5.911 -8.024 671 HA3 GLY 90 HA1 GLY 90 13.985 -6.494 -8.488 672 H GLU 91 HN GLU 91 14.765 -8.012 -6.406 673 HA GLU 91 HA GLU 91 13.353 -10.402 -6.767 674 HB2 GLU 91 HB2 GLU 91 15.193 -9.696 -4.475 675 HB3 GLU 91 HB1 GLU 91 14.702 -11.316 -4.941 676 HG2 GLU 91 HG2 GLU 91 16.838 -11.084 -5.818 677 HG3 GLU 91 HG1 GLU 91 15.776 -10.810 -7.195 678 H LEU 92 HN LEU 92 13.229 -7.979 -4.216 679 HA LEU 92 HA LEU 92 11.535 -9.314 -2.431 680 HB2 LEU 92 HB2 LEU 92 12.754 -7.301 -1.821 681 HB3 LEU 92 HB1 LEU 92 11.819 -6.362 -2.969 682 HG LEU 92 HG LEU 92 9.772 -6.875 -1.633 683 HD11 LEU 92 HD11 LEU 92 10.027 -7.714 0.633 684 HD12 LEU 92 HD12 LEU 92 11.755 -7.948 0.368 685 HD13 LEU 92 HD13 LEU 92 10.585 -8.911 -0.537 686 HD21 LEU 92 HD21 LEU 92 11.979 -5.513 -0.110 687 HD22 LEU 92 HD22 LEU 92 10.246 -5.270 0.100 688 HD23 LEU 92 HD23 LEU 92 11.031 -4.777 -1.400 689 H LEU 93 HN LEU 93 10.803 -7.176 -5.155 690 HA LEU 93 HA LEU 93 8.041 -7.014 -4.851 691 HB2 LEU 93 HB2 LEU 93 9.696 -7.039 -7.375 692 HB3 LEU 93 HB1 LEU 93 8.031 -6.512 -7.276 693 HG LEU 93 HG LEU 93 10.258 -5.202 -5.733 694 HD11 LEU 93 HD11 LEU 93 9.062 -4.442 -8.391 695 HD12 LEU 93 HD12 LEU 93 10.716 -4.989 -8.102 696 HD13 LEU 93 HD13 LEU 93 10.169 -3.447 -7.444 697 HD21 LEU 93 HD21 LEU 93 8.646 -3.375 -5.527 698 HD22 LEU 93 HD22 LEU 93 8.017 -4.868 -4.828 699 HD23 LEU 93 HD23 LEU 93 7.452 -4.329 -6.409 700 H ARG 94 HN ARG 94 10.044 -9.487 -6.362 701 HA ARG 94 HA ARG 94 7.793 -10.960 -7.373 702 HB2 ARG 94 HB2 ARG 94 10.738 -11.567 -7.204 703 HB3 ARG 94 HB1 ARG 94 9.570 -12.737 -7.806 704 HG2 ARG 94 HG2 ARG 94 8.897 -11.161 -9.554 705 HG3 ARG 94 HG1 ARG 94 10.084 -10.001 -8.958 706 HD2 ARG 94 HD2 ARG 94 10.803 -12.775 -9.875 707 HD3 ARG 94 HD1 ARG 94 10.788 -11.381 -10.951 708 HE ARG 94 HE ARG 94 12.524 -10.399 -9.539 709 HH11 ARG 94 HH11 ARG 94 11.970 -13.852 -9.248 710 HH12 ARG 94 HH12 ARG 94 13.573 -14.186 -8.677 711 HH21 ARG 94 HH21 ARG 94 14.641 -10.852 -8.816 712 HH22 ARG 94 HH22 ARG 94 15.093 -12.485 -8.441 713 H LYS 95 HN LYS 95 9.696 -10.966 -4.449 714 HA LYS 95 HA LYS 95 8.791 -13.469 -3.446 715 HB2 LYS 95 HB2 LYS 95 9.718 -11.009 -1.948 716 HB3 LYS 95 HB1 LYS 95 9.499 -12.600 -1.239 717 HG2 LYS 95 HG2 LYS 95 11.277 -13.501 -2.589 718 HG3 LYS 95 HG1 LYS 95 11.444 -11.965 -3.444 719 HD2 LYS 95 HD2 LYS 95 12.019 -10.890 -1.275 720 HD3 LYS 95 HD1 LYS 95 11.984 -12.485 -0.522 721 HE2 LYS 95 HE2 LYS 95 13.775 -13.239 -1.964 722 HE3 LYS 95 HE1 LYS 95 13.771 -11.696 -2.816 723 HZ1 LYS 95 HZ1 LYS 95 14.434 -12.077 0.053 724 HZ2 LYS 95 HZ2 LYS 95 14.447 -10.603 -0.777 725 HZ3 LYS 95 HZ3 LYS 95 15.551 -11.815 -1.191 726 H ILE 96 HN ILE 96 7.649 -10.175 -3.235 727 HA ILE 96 HA ILE 96 5.459 -10.647 -1.508 728 HB ILE 96 HB ILE 96 6.008 -8.456 -3.512 729 HG12 ILE 96 HG12 ILE 96 6.184 -8.441 -0.493 730 HG13 ILE 96 HG11 ILE 96 7.563 -8.654 -1.565 731 HG21 ILE 96 HG21 ILE 96 4.267 -7.185 -2.288 732 HG22 ILE 96 HG22 ILE 96 3.826 -8.675 -1.455 733 HG23 ILE 96 HG23 ILE 96 3.645 -8.555 -3.205 734 HD11 ILE 96 HD11 ILE 96 7.356 -6.360 -0.723 735 HD12 ILE 96 HD12 ILE 96 5.779 -6.233 -1.505 736 HD13 ILE 96 HD13 ILE 96 7.233 -6.444 -2.480 737 H ASP 97 HN ASP 97 5.659 -10.177 -5.032 738 HA ASP 97 HA ASP 97 4.347 -10.809 -6.756 739 HB2 ASP 97 HB2 ASP 97 4.631 -13.089 -5.897 740 HB3 ASP 97 HB1 ASP 97 3.243 -12.868 -4.834 741 H ALA 98 HN ALA 98 3.413 -8.737 -6.525 742 HA ALA 98 HA ALA 98 0.553 -8.863 -6.550 743 HB1 ALA 98 HB1 ALA 98 0.162 -7.143 -4.854 744 HB2 ALA 98 HB2 ALA 98 1.883 -7.101 -4.483 745 HB3 ALA 98 HB3 ALA 98 0.944 -8.551 -4.137 746 HA PRO 99 HA PRO 99 1.029 -5.585 -9.496 747 HB2 PRO 99 HB2 PRO 99 -0.713 -3.757 -7.951 748 HB3 PRO 99 HB1 PRO 99 -0.874 -4.322 -9.612 749 HG2 PRO 99 HG2 PRO 99 -2.463 -5.253 -7.689 750 HG3 PRO 99 HG1 PRO 99 -1.855 -6.311 -8.971 751 HD2 PRO 99 HD2 PRO 99 -0.945 -6.057 -6.137 752 HD3 PRO 99 HD1 PRO 99 -1.127 -7.514 -7.133 753 H VAL 100 HN VAL 100 2.513 -4.066 -9.871 754 HA VAL 100 HA VAL 100 3.548 -2.527 -7.586 755 HB VAL 100 HB VAL 100 5.130 -3.462 -9.988 756 HG11 VAL 100 HG11 VAL 100 6.016 -2.174 -7.410 757 HG12 VAL 100 HG12 VAL 100 6.000 -1.417 -9.003 758 HG13 VAL 100 HG13 VAL 100 7.084 -2.771 -8.680 759 HG21 VAL 100 HG21 VAL 100 6.196 -5.069 -8.500 760 HG22 VAL 100 HG22 VAL 100 4.459 -5.363 -8.611 761 HG23 VAL 100 HG23 VAL 100 5.131 -4.571 -7.187 762 H MET 101 HN MET 101 3.535 -0.371 -7.796 763 HA MET 101 HA MET 101 3.290 0.778 -10.503 764 HB2 MET 101 HB2 MET 101 2.217 1.812 -7.873 765 HB3 MET 101 HB1 MET 101 2.308 2.798 -9.326 766 HG2 MET 101 HG2 MET 101 0.837 1.253 -10.476 767 HG3 MET 101 HG1 MET 101 0.756 0.236 -9.044 768 HE1 MET 101 HE1 MET 101 0.378 4.146 -9.873 769 HE2 MET 101 HE2 MET 101 -1.382 4.242 -9.756 770 HE3 MET 101 HE3 MET 101 -0.632 3.204 -10.970 771 H ALA 102 HN ALA 102 4.940 1.981 -11.152 772 HA ALA 102 HA ALA 102 7.198 2.275 -9.373 773 HB1 ALA 102 HB1 ALA 102 7.473 1.498 -11.695 774 HB2 ALA 102 HB2 ALA 102 8.420 2.947 -11.352 775 HB3 ALA 102 HB3 ALA 102 6.916 3.071 -12.268 776 H LYS 103 HN LYS 103 8.250 4.229 -8.892 777 HA LYS 103 HA LYS 103 6.563 6.607 -8.978 778 HB2 LYS 103 HB2 LYS 103 9.164 5.987 -7.588 779 HB3 LYS 103 HB1 LYS 103 8.534 7.621 -7.681 780 HG2 LYS 103 HG2 LYS 103 6.516 6.905 -6.504 781 HG3 LYS 103 HG1 LYS 103 7.164 5.267 -6.403 782 HD2 LYS 103 HD2 LYS 103 8.920 5.944 -4.970 783 HD3 LYS 103 HD1 LYS 103 8.633 7.653 -5.301 784 HE2 LYS 103 HE2 LYS 103 6.527 7.570 -4.127 785 HE3 LYS 103 HE1 LYS 103 6.683 5.830 -3.906 786 HZ1 LYS 103 HZ1 LYS 103 8.702 6.277 -2.571 787 HZ2 LYS 103 HZ2 LYS 103 7.290 6.903 -1.877 788 HZ3 LYS 103 HZ3 LYS 103 8.377 7.934 -2.672 789 HA PRO 104 HA PRO 104 6.799 8.768 -8.887 790 HB2 PRO 104 HB2 PRO 104 5.968 10.392 -11.129 791 HB3 PRO 104 HB1 PRO 104 6.817 10.887 -9.667 792 HG2 PRO 104 HG2 PRO 104 7.965 10.893 -12.134 793 HG3 PRO 104 HG1 PRO 104 8.880 10.665 -10.634 794 HD2 PRO 104 HD2 PRO 104 7.935 8.621 -12.609 795 HD3 PRO 104 HD1 PRO 104 9.488 8.726 -11.750 796 H ALA 105 HN ALA 105 4.577 8.773 -8.666 797 HA ALA 105 HA ALA 105 2.915 7.778 -10.844 798 HB1 ALA 105 HB1 ALA 105 3.012 6.462 -8.121 799 HB2 ALA 105 HB2 ALA 105 3.579 5.753 -9.642 800 HB3 ALA 105 HB3 ALA 105 1.861 6.089 -9.415 801 H ASP 106 HN ASP 106 1.024 8.836 -10.871 802 HA ASP 106 HA ASP 106 0.519 10.903 -8.984 803 HB2 ASP 106 HB2 ASP 106 -0.252 11.046 -11.333 804 HB3 ASP 106 HB1 ASP 106 -1.367 9.715 -11.036 805 H THR 107 HN THR 107 -0.621 10.884 -7.182 806 HA THR 107 HA THR 107 -0.942 8.412 -5.897 807 HB THR 107 HB THR 107 -1.967 9.837 -4.069 808 HG1 THR 107 HG1 THR 107 -1.588 12.165 -4.502 809 HG21 THR 107 HG21 THR 107 0.191 10.994 -3.615 810 HG22 THR 107 HG22 THR 107 0.708 10.597 -5.255 811 HG23 THR 107 HG23 THR 107 0.399 9.304 -4.090 812 H SER 108 HN SER 108 -3.189 10.392 -7.677 813 HA SER 108 HA SER 108 -5.548 9.189 -6.620 814 HB2 SER 108 HB2 SER 108 -5.583 11.375 -7.772 815 HB3 SER 108 HB1 SER 108 -5.124 10.585 -9.278 816 HG SER 108 HG SER 108 -7.545 10.417 -7.840 817 H ASP 109 HN ASP 109 -3.364 8.496 -9.305 818 HA ASP 109 HA ASP 109 -4.877 6.353 -10.410 819 HB2 ASP 109 HB2 ASP 109 -1.944 7.052 -10.540 820 HB3 ASP 109 HB1 ASP 109 -2.600 5.618 -11.321 821 H VAL 110 HN VAL 110 -2.247 6.536 -8.082 822 HA VAL 110 HA VAL 110 -1.980 3.796 -7.582 823 HB VAL 110 HB VAL 110 -1.559 5.996 -5.547 824 HG11 VAL 110 HG11 VAL 110 0.068 4.491 -4.592 825 HG12 VAL 110 HG12 VAL 110 -0.200 3.323 -5.887 826 HG13 VAL 110 HG13 VAL 110 -1.487 3.662 -4.727 827 HG21 VAL 110 HG21 VAL 110 -0.438 6.576 -7.640 828 HG22 VAL 110 HG22 VAL 110 0.348 4.995 -7.662 829 HG23 VAL 110 HG23 VAL 110 0.730 6.152 -6.386 830 H ALA 111 HN ALA 111 -4.054 6.246 -6.127 831 HA ALA 111 HA ALA 111 -5.169 4.635 -4.103 832 HB1 ALA 111 HB1 ALA 111 -6.390 7.034 -5.462 833 HB2 ALA 111 HB2 ALA 111 -5.262 7.091 -4.106 834 HB3 ALA 111 HB3 ALA 111 -6.857 6.362 -3.899 835 H LYS 112 HN LYS 112 -6.396 5.505 -7.331 836 HA LYS 112 HA LYS 112 -8.795 4.035 -7.069 837 HB2 LYS 112 HB2 LYS 112 -7.343 4.994 -9.539 838 HB3 LYS 112 HB1 LYS 112 -8.971 4.325 -9.538 839 HG2 LYS 112 HG2 LYS 112 -9.697 6.141 -8.049 840 HG3 LYS 112 HG1 LYS 112 -8.072 6.819 -8.109 841 HD2 LYS 112 HD2 LYS 112 -9.445 8.023 -9.657 842 HD3 LYS 112 HD1 LYS 112 -8.321 7.025 -10.580 843 HE2 LYS 112 HE2 LYS 112 -10.072 5.367 -10.940 844 HE3 LYS 112 HE1 LYS 112 -11.195 6.327 -9.979 845 HZ1 LYS 112 HZ1 LYS 112 -9.955 7.119 -12.557 846 HZ2 LYS 112 HZ2 LYS 112 -10.937 8.123 -11.618 847 HZ3 LYS 112 HZ3 LYS 112 -11.577 6.719 -12.303 848 H ARG 113 HN ARG 113 -5.632 3.211 -8.418 849 HA ARG 113 HA ARG 113 -6.373 0.695 -9.463 850 HB2 ARG 113 HB2 ARG 113 -3.740 1.876 -8.647 851 HB3 ARG 113 HB1 ARG 113 -3.869 0.233 -9.259 852 HG2 ARG 113 HG2 ARG 113 -4.744 2.713 -10.720 853 HG3 ARG 113 HG1 ARG 113 -3.257 1.816 -11.000 854 HD2 ARG 113 HD2 ARG 113 -4.577 -0.171 -11.579 855 HD3 ARG 113 HD1 ARG 113 -6.053 0.761 -11.347 856 HE ARG 113 HE ARG 113 -4.130 1.752 -13.300 857 HH11 ARG 113 HH11 ARG 113 -7.172 0.142 -12.622 858 HH12 ARG 113 HH12 ARG 113 -7.751 0.294 -14.255 859 HH21 ARG 113 HH21 ARG 113 -4.901 1.961 -15.441 860 HH22 ARG 113 HH22 ARG 113 -6.463 1.330 -15.854 861 H ALA 114 HN ALA 114 -5.477 1.757 -6.270 862 HA ALA 114 HA ALA 114 -5.146 -0.903 -5.231 863 HB1 ALA 114 HB1 ALA 114 -3.941 0.914 -4.178 864 HB2 ALA 114 HB2 ALA 114 -5.099 0.243 -3.022 865 HB3 ALA 114 HB3 ALA 114 -5.454 1.761 -3.847 866 H LEU 115 HN LEU 115 -7.654 1.599 -5.112 867 HA LEU 115 HA LEU 115 -9.395 0.183 -3.410 868 HB2 LEU 115 HB2 LEU 115 -9.850 2.480 -5.284 869 HB3 LEU 115 HB1 LEU 115 -11.081 1.856 -4.200 870 HG LEU 115 HG LEU 115 -8.424 3.020 -3.362 871 HD11 LEU 115 HD11 LEU 115 -9.804 4.797 -2.391 872 HD12 LEU 115 HD12 LEU 115 -11.227 4.075 -3.146 873 HD13 LEU 115 HD13 LEU 115 -9.928 4.722 -4.150 874 HD21 LEU 115 HD21 LEU 115 -9.110 1.275 -1.841 875 HD22 LEU 115 HD22 LEU 115 -10.724 1.967 -1.727 876 HD23 LEU 115 HD23 LEU 115 -9.340 2.848 -1.082 877 H GLU 116 HN GLU 116 -8.960 0.045 -6.870 878 HA GLU 116 HA GLU 116 -11.486 -1.111 -7.452 879 HB2 GLU 116 HB2 GLU 116 -10.490 -1.784 -9.589 880 HB3 GLU 116 HB1 GLU 116 -10.139 -0.114 -9.211 881 HG2 GLU 116 HG2 GLU 116 -7.922 -0.647 -8.551 882 HG3 GLU 116 HG1 GLU 116 -8.267 -2.357 -8.720 883 H MET 117 HN MET 117 -8.490 -2.382 -6.256 884 HA MET 117 HA MET 117 -9.089 -5.105 -6.858 885 HB2 MET 117 HB2 MET 117 -7.045 -3.866 -5.019 886 HB3 MET 117 HB1 MET 117 -7.149 -5.583 -5.366 887 HG2 MET 117 HG2 MET 117 -6.910 -4.935 -7.813 888 HG3 MET 117 HG1 MET 117 -6.428 -3.348 -7.220 889 HE1 MET 117 HE1 MET 117 -4.380 -2.957 -5.600 890 HE2 MET 117 HE2 MET 117 -3.220 -4.206 -5.142 891 HE3 MET 117 HE3 MET 117 -4.859 -4.249 -4.496 892 H CYS 118 HN CYS 118 -9.677 -2.976 -4.125 893 HA CYS 118 HA CYS 118 -10.651 -5.198 -2.530 894 HB2 CYS 118 HB2 CYS 118 -11.197 -3.399 -0.869 895 HB3 CYS 118 HB1 CYS 118 -9.496 -3.528 -1.279 896 HG CYS 118 HG CYS 118 -11.659 -1.151 -2.465 897 H GLY 119 HN GLY 119 -11.825 -2.792 -4.694 898 HA2 GLY 119 HA2 GLY 119 -14.576 -2.889 -4.022 899 HA3 GLY 119 HA1 GLY 119 -13.911 -2.437 -5.587 900 H GLY 120 HN GLY 120 -12.480 -5.139 -5.445 901 HA2 GLY 120 HA2 GLY 120 -14.712 -7.000 -5.731 902 HA3 GLY 120 HA1 GLY 120 -13.641 -6.787 -7.113 903 H ASP 121 HN ASP 121 -13.319 -7.207 -3.596 904 HA ASP 121 HA ASP 121 -10.716 -8.295 -3.785 905 HB2 ASP 121 HB2 ASP 121 -10.859 -8.702 -1.411 906 HB3 ASP 121 HB1 ASP 121 -11.586 -7.141 -1.764 907 H LYS 122 HN LYS 122 -9.959 -10.361 -3.463 908 HA LYS 122 HA LYS 122 -11.680 -12.639 -3.331 909 HB2 LYS 122 HB2 LYS 122 -11.977 -11.880 -5.700 910 HB3 LYS 122 HB1 LYS 122 -10.251 -12.103 -5.942 911 HG2 LYS 122 HG2 LYS 122 -10.438 -14.461 -5.587 912 HG3 LYS 122 HG1 LYS 122 -12.131 -14.300 -5.116 913 HD2 LYS 122 HD2 LYS 122 -11.947 -15.110 -7.400 914 HD3 LYS 122 HD1 LYS 122 -12.676 -13.504 -7.360 915 HE2 LYS 122 HE2 LYS 122 -10.553 -12.500 -7.982 916 HE3 LYS 122 HE1 LYS 122 -9.776 -14.082 -7.953 917 HZ1 LYS 122 HZ1 LYS 122 -10.335 -13.387 -10.201 918 HZ2 LYS 122 HZ2 LYS 122 -11.970 -13.280 -9.785 919 HZ3 LYS 122 HZ3 LYS 122 -11.191 -14.781 -9.769 920 H GLU 123 HN GLU 123 -10.323 -14.675 -3.555 921 HA GLU 123 HA GLU 123 -7.990 -14.538 -2.023 922 HB2 GLU 123 HB2 GLU 123 -8.765 -16.717 -3.973 923 HB3 GLU 123 HB1 GLU 123 -7.637 -16.873 -2.635 924 HG2 GLU 123 HG2 GLU 123 -9.505 -16.399 -1.075 925 HG3 GLU 123 HG1 GLU 123 -10.604 -16.411 -2.456 926 HA PRO 124 HA PRO 124 -5.060 -13.251 -5.177 927 HB2 PRO 124 HB2 PRO 124 -2.987 -13.963 -3.241 928 HB3 PRO 124 HB1 PRO 124 -3.392 -12.380 -3.910 929 HG2 PRO 124 HG2 PRO 124 -3.888 -13.046 -1.336 930 HG3 PRO 124 HG1 PRO 124 -4.912 -11.924 -2.251 931 HD2 PRO 124 HD2 PRO 124 -5.372 -14.810 -1.601 932 HD3 PRO 124 HD1 PRO 124 -6.516 -13.454 -1.622 933 H ALA 125 HN ALA 125 -6.044 -15.818 -5.525 934 HA ALA 125 HA ALA 125 -3.670 -17.250 -6.397 935 HB1 ALA 125 HB1 ALA 125 -4.074 -18.100 -4.130 936 HB2 ALA 125 HB2 ALA 125 -4.336 -19.344 -5.352 937 HB3 ALA 125 HB3 ALA 125 -5.715 -18.545 -4.596 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 -14.808 2.401 14.265 2 H2 GLY 1 HT2 GLY 1 -15.282 1.972 15.829 3 H3 GLY 1 HT3 GLY 1 -15.596 3.528 15.248 4 HA2 GLY 1 HA1 GLY 1 -16.772 1.027 14.183 5 HA3 GLY 1 HA2 GLY 1 -17.595 2.160 15.244 6 H ALA 2 HN ALA 2 -18.852 1.638 12.980 7 HA ALA 2 HA ALA 2 -19.813 2.545 11.140 8 HB1 ALA 2 HB1 ALA 2 -18.650 5.097 12.244 9 HB2 ALA 2 HB2 ALA 2 -20.233 4.417 12.623 10 HB3 ALA 2 HB3 ALA 2 -19.886 4.992 10.992 11 H MET 3 HN MET 3 -17.746 1.227 10.344 12 HA MET 3 HA MET 3 -16.055 3.023 8.752 13 HB2 MET 3 HB2 MET 3 -14.903 1.429 10.264 14 HB3 MET 3 HB1 MET 3 -15.635 0.100 9.379 15 HG2 MET 3 HG2 MET 3 -14.459 0.762 7.361 16 HG3 MET 3 HG1 MET 3 -13.757 2.139 8.207 17 HE1 MET 3 HE1 MET 3 -12.048 1.923 10.210 18 HE2 MET 3 HE2 MET 3 -11.436 0.390 10.828 19 HE3 MET 3 HE3 MET 3 -13.123 0.830 11.080 20 H GLY 4 HN GLY 4 -17.829 3.346 7.257 21 HA2 GLY 4 HA2 GLY 4 -18.527 1.122 5.521 22 HA3 GLY 4 HA1 GLY 4 -19.031 2.798 5.336 23 H MET 5 HN MET 5 -16.357 3.823 5.611 24 HA MET 5 HA MET 5 -15.448 3.724 2.929 25 HB2 MET 5 HB2 MET 5 -14.155 4.738 5.448 26 HB3 MET 5 HB1 MET 5 -13.454 4.929 3.850 27 HG2 MET 5 HG2 MET 5 -16.014 6.091 4.882 28 HG3 MET 5 HG1 MET 5 -14.555 6.937 4.394 29 HE1 MET 5 HE1 MET 5 -15.809 8.598 2.826 30 HE2 MET 5 HE2 MET 5 -17.326 7.880 3.367 31 HE3 MET 5 HE3 MET 5 -17.020 8.104 1.645 32 HA PRO 6 HA PRO 6 -12.745 0.150 3.075 33 HB2 PRO 6 HB2 PRO 6 -11.079 1.655 1.176 34 HB3 PRO 6 HB1 PRO 6 -11.830 0.072 0.997 35 HG2 PRO 6 HG2 PRO 6 -12.759 2.199 -0.317 36 HG3 PRO 6 HG1 PRO 6 -13.848 0.949 0.304 37 HD2 PRO 6 HD2 PRO 6 -13.241 3.657 1.409 38 HD3 PRO 6 HD1 PRO 6 -14.790 2.801 1.327 39 H LYS 7 HN LYS 7 -11.137 -0.270 4.439 40 HA LYS 7 HA LYS 7 -9.695 1.958 5.618 41 HB2 LYS 7 HB2 LYS 7 -10.754 0.031 6.918 42 HB3 LYS 7 HB1 LYS 7 -9.438 -0.965 6.319 43 HG2 LYS 7 HG2 LYS 7 -8.991 -0.181 8.567 44 HG3 LYS 7 HG1 LYS 7 -7.823 0.488 7.425 45 HD2 LYS 7 HD2 LYS 7 -8.871 2.614 7.459 46 HD3 LYS 7 HD1 LYS 7 -10.292 1.980 8.290 47 HE2 LYS 7 HE2 LYS 7 -8.953 1.549 10.278 48 HE3 LYS 7 HE1 LYS 7 -7.510 2.124 9.447 49 HZ1 LYS 7 HZ1 LYS 7 -8.584 3.757 10.970 50 HZ2 LYS 7 HZ2 LYS 7 -9.905 3.821 9.910 51 HZ3 LYS 7 HZ3 LYS 7 -8.373 4.312 9.389 52 H VAL 8 HN VAL 8 -8.045 2.653 4.459 53 HA VAL 8 HA VAL 8 -6.462 0.754 2.882 54 HB VAL 8 HB VAL 8 -6.511 3.777 2.780 55 HG11 VAL 8 HG11 VAL 8 -5.336 3.524 0.663 56 HG12 VAL 8 HG12 VAL 8 -5.307 1.773 0.880 57 HG13 VAL 8 HG13 VAL 8 -4.414 2.815 1.989 58 HG21 VAL 8 HG21 VAL 8 -7.836 1.790 0.935 59 HG22 VAL 8 HG22 VAL 8 -7.849 3.546 0.761 60 HG23 VAL 8 HG23 VAL 8 -8.665 2.787 2.131 61 H LEU 9 HN LEU 9 -4.450 0.235 3.477 62 HA LEU 9 HA LEU 9 -3.190 1.806 5.610 63 HB2 LEU 9 HB2 LEU 9 -3.482 -0.532 6.139 64 HB3 LEU 9 HB1 LEU 9 -2.691 -1.009 4.650 65 HG LEU 9 HG LEU 9 -0.571 -0.098 5.467 66 HD11 LEU 9 HD11 LEU 9 -1.503 1.696 6.859 67 HD12 LEU 9 HD12 LEU 9 -0.365 0.694 7.762 68 HD13 LEU 9 HD13 LEU 9 -2.101 0.492 8.000 69 HD21 LEU 9 HD21 LEU 9 -1.075 -2.422 5.917 70 HD22 LEU 9 HD22 LEU 9 -1.926 -1.972 7.395 71 HD23 LEU 9 HD23 LEU 9 -0.186 -1.717 7.269 72 H VAL 10 HN VAL 10 -1.759 3.258 4.943 73 HA VAL 10 HA VAL 10 -0.256 2.780 2.487 74 HB VAL 10 HB VAL 10 -0.696 5.234 4.175 75 HG11 VAL 10 HG11 VAL 10 1.245 5.010 1.868 76 HG12 VAL 10 HG12 VAL 10 1.702 5.167 3.564 77 HG13 VAL 10 HG13 VAL 10 0.839 6.480 2.760 78 HG21 VAL 10 HG21 VAL 10 -1.516 6.129 2.039 79 HG22 VAL 10 HG22 VAL 10 -2.390 4.677 2.532 80 HG23 VAL 10 HG23 VAL 10 -1.158 4.579 1.267 81 H LEU 11 HN LEU 11 1.630 1.904 2.547 82 HA LEU 11 HA LEU 11 3.393 2.268 4.872 83 HB2 LEU 11 HB2 LEU 11 3.070 0.180 2.842 84 HB3 LEU 11 HB1 LEU 11 4.738 0.683 3.030 85 HG LEU 11 HG LEU 11 4.279 -1.263 4.399 86 HD11 LEU 11 HD11 LEU 11 5.846 0.452 5.260 87 HD12 LEU 11 HD12 LEU 11 5.030 -0.433 6.547 88 HD13 LEU 11 HD13 LEU 11 4.515 1.203 6.141 89 HD21 LEU 11 HD21 LEU 11 1.849 -0.839 4.614 90 HD22 LEU 11 HD22 LEU 11 2.197 0.450 5.766 91 HD23 LEU 11 HD23 LEU 11 2.618 -1.217 6.151 92 H GLU 12 HN GLU 12 4.833 3.876 4.709 93 HA GLU 12 HA GLU 12 6.092 4.528 2.228 94 HB2 GLU 12 HB2 GLU 12 4.535 5.928 1.470 95 HB3 GLU 12 HB1 GLU 12 3.592 5.751 2.928 96 HG2 GLU 12 HG2 GLU 12 5.794 7.757 2.519 97 HG3 GLU 12 HG1 GLU 12 4.077 8.072 2.373 98 H ASP 13 HN ASP 13 7.695 6.225 2.465 99 HA ASP 13 HA ASP 13 8.403 6.712 5.281 100 HB2 ASP 13 HB2 ASP 13 10.706 6.413 4.804 101 HB3 ASP 13 HB1 ASP 13 9.877 5.047 4.077 102 H GLU 14 HN GLU 14 7.501 8.077 2.408 103 HA GLU 14 HA GLU 14 8.716 10.665 3.084 104 HB2 GLU 14 HB2 GLU 14 7.681 9.523 0.517 105 HB3 GLU 14 HB1 GLU 14 7.822 11.261 0.734 106 HG2 GLU 14 HG2 GLU 14 10.101 9.338 1.099 107 HG3 GLU 14 HG1 GLU 14 9.747 10.183 -0.403 108 HA PRO 15 HA PRO 15 4.589 11.269 4.841 109 HB2 PRO 15 HB2 PRO 15 5.778 13.914 5.377 110 HB3 PRO 15 HB1 PRO 15 4.939 12.817 6.472 111 HG2 PRO 15 HG2 PRO 15 7.580 13.062 6.608 112 HG3 PRO 15 HG1 PRO 15 6.817 11.467 6.765 113 HD2 PRO 15 HD2 PRO 15 8.214 12.671 4.408 114 HD3 PRO 15 HD1 PRO 15 8.290 11.015 5.036 115 H LEU 16 HN LEU 16 6.246 13.382 2.578 116 HA LEU 16 HA LEU 16 4.003 14.991 1.919 117 HB2 LEU 16 HB2 LEU 16 6.564 15.237 1.363 118 HB3 LEU 16 HB1 LEU 16 6.141 14.322 -0.068 119 HG LEU 16 HG LEU 16 4.844 16.938 0.701 120 HD11 LEU 16 HD11 LEU 16 7.200 17.295 0.259 121 HD12 LEU 16 HD12 LEU 16 6.225 17.925 -1.069 122 HD13 LEU 16 HD13 LEU 16 7.074 16.390 -1.249 123 HD21 LEU 16 HD21 LEU 16 4.812 15.354 -1.862 124 HD22 LEU 16 HD22 LEU 16 4.071 16.936 -1.615 125 HD23 LEU 16 HD23 LEU 16 3.472 15.533 -0.727 126 H ILE 17 HN ILE 17 5.426 12.111 0.421 127 HA ILE 17 HA ILE 17 3.452 11.575 -1.489 128 HB ILE 17 HB ILE 17 5.318 9.765 0.049 129 HG12 ILE 17 HG12 ILE 17 5.393 10.919 -2.732 130 HG13 ILE 17 HG11 ILE 17 6.416 11.349 -1.383 131 HG21 ILE 17 HG21 ILE 17 3.494 9.086 -2.227 132 HG22 ILE 17 HG22 ILE 17 3.579 8.334 -0.629 133 HG23 ILE 17 HG23 ILE 17 4.899 8.123 -1.780 134 HD11 ILE 17 HD11 ILE 17 6.382 8.697 -2.778 135 HD12 ILE 17 HD12 ILE 17 7.392 9.117 -1.396 136 HD13 ILE 17 HD13 ILE 17 7.613 9.948 -2.934 137 H ALA 18 HN ALA 18 3.774 10.454 1.877 138 HA ALA 18 HA ALA 18 1.535 8.811 2.000 139 HB1 ALA 18 HB1 ALA 18 1.657 8.989 4.349 140 HB2 ALA 18 HB2 ALA 18 2.440 10.570 4.262 141 HB3 ALA 18 HB3 ALA 18 3.318 9.120 3.755 142 H MET 19 HN MET 19 1.793 12.252 2.814 143 HA MET 19 HA MET 19 -0.851 12.768 3.411 144 HB2 MET 19 HB2 MET 19 1.140 14.292 3.669 145 HB3 MET 19 HB1 MET 19 1.030 14.614 1.943 146 HG2 MET 19 HG2 MET 19 -1.237 15.477 2.275 147 HG3 MET 19 HG1 MET 19 -1.065 15.208 4.006 148 HE1 MET 19 HE1 MET 19 1.600 16.560 1.394 149 HE2 MET 19 HE2 MET 19 1.333 18.296 1.558 150 HE3 MET 19 HE3 MET 19 0.060 17.265 0.905 151 H ASN 20 HN ASN 20 0.786 12.712 0.297 152 HA ASN 20 HA ASN 20 -1.402 13.689 -1.199 153 HB2 ASN 20 HB2 ASN 20 1.291 12.624 -1.695 154 HB3 ASN 20 HB1 ASN 20 0.157 12.346 -2.990 155 HD21 ASN 20 HD21 ASN 20 1.815 14.705 -1.125 156 HD22 ASN 20 HD22 ASN 20 1.532 16.034 -2.188 157 H LEU 21 HN LEU 21 -0.166 10.405 -0.588 158 HA LEU 21 HA LEU 21 -2.168 9.061 -2.034 159 HB2 LEU 21 HB2 LEU 21 -0.403 8.290 0.264 160 HB3 LEU 21 HB1 LEU 21 -1.588 7.181 -0.381 161 HG LEU 21 HG LEU 21 0.568 8.441 -2.061 162 HD11 LEU 21 HD11 LEU 21 1.744 6.315 -1.890 163 HD12 LEU 21 HD12 LEU 21 0.548 5.738 -0.728 164 HD13 LEU 21 HD13 LEU 21 1.600 7.095 -0.313 165 HD21 LEU 21 HD21 LEU 21 0.004 6.656 -3.609 166 HD22 LEU 21 HD22 LEU 21 -1.412 7.643 -3.245 167 HD23 LEU 21 HD23 LEU 21 -1.221 6.061 -2.490 168 H GLN 22 HN GLN 22 -1.946 10.058 1.353 169 HA GLN 22 HA GLN 22 -4.282 8.902 2.305 170 HB2 GLN 22 HB2 GLN 22 -2.396 10.232 3.513 171 HB3 GLN 22 HB1 GLN 22 -3.411 11.629 3.197 172 HG2 GLN 22 HG2 GLN 22 -5.263 10.477 4.380 173 HG3 GLN 22 HG1 GLN 22 -4.133 9.191 4.792 174 HE21 GLN 22 HE21 GLN 22 -4.291 9.524 6.985 175 HE22 GLN 22 HE22 GLN 22 -3.619 10.909 7.767 176 H TYR 23 HN TYR 23 -3.789 12.155 0.925 177 HA TYR 23 HA TYR 23 -6.538 12.848 1.060 178 HB2 TYR 23 HB2 TYR 23 -4.151 14.007 -0.322 179 HB3 TYR 23 HB1 TYR 23 -5.761 14.596 -0.713 180 HD1 TYR 23 HD2 TYR 23 -7.237 15.110 1.459 181 HD2 TYR 23 HD1 TYR 23 -2.991 15.145 1.319 182 HE1 TYR 23 HE2 TYR 23 -7.192 16.571 3.431 183 HE2 TYR 23 HE1 TYR 23 -2.932 16.609 3.294 184 HH TYR 23 HH TYR 23 -5.646 17.147 5.254 185 H ALA 24 HN ALA 24 -4.630 11.119 -1.274 186 HA ALA 24 HA ALA 24 -6.405 11.420 -3.476 187 HB1 ALA 24 HB1 ALA 24 -4.062 10.747 -3.756 188 HB2 ALA 24 HB2 ALA 24 -5.166 9.582 -4.487 189 HB3 ALA 24 HB3 ALA 24 -4.406 9.223 -2.937 190 H PHE 25 HN PHE 25 -5.931 8.821 -1.091 191 HA PHE 25 HA PHE 25 -8.068 7.219 -2.019 192 HB2 PHE 25 HB2 PHE 25 -6.541 7.336 0.565 193 HB3 PHE 25 HB1 PHE 25 -7.898 6.238 0.360 194 HD1 PHE 25 HD2 PHE 25 -7.789 4.441 -1.310 195 HD2 PHE 25 HD1 PHE 25 -4.430 6.901 -0.443 196 HE1 PHE 25 HE2 PHE 25 -6.311 2.787 -2.365 197 HE2 PHE 25 HE1 PHE 25 -2.943 5.251 -1.504 198 HZ PHE 25 HZ PHE 25 -3.882 3.192 -2.461 199 H GLU 26 HN GLU 26 -7.853 9.665 0.550 200 HA GLU 26 HA GLU 26 -10.516 9.342 1.437 201 HB2 GLU 26 HB2 GLU 26 -8.665 11.717 1.642 202 HB3 GLU 26 HB1 GLU 26 -10.222 11.608 2.453 203 HG2 GLU 26 HG2 GLU 26 -9.315 9.455 3.493 204 HG3 GLU 26 HG1 GLU 26 -7.735 10.007 2.938 205 H ASP 27 HN ASP 27 -9.093 11.129 -1.196 206 HA ASP 27 HA ASP 27 -11.404 12.677 -1.808 207 HB2 ASP 27 HB2 ASP 27 -9.146 13.294 -2.596 208 HB3 ASP 27 HB1 ASP 27 -9.141 11.867 -3.619 209 H GLU 28 HN GLU 28 -10.254 9.480 -2.704 210 HA GLU 28 HA GLU 28 -12.315 9.058 -4.669 211 HB2 GLU 28 HB2 GLU 28 -10.394 7.177 -3.297 212 HB3 GLU 28 HB1 GLU 28 -11.585 6.638 -4.470 213 HG2 GLU 28 HG2 GLU 28 -9.332 8.560 -4.966 214 HG3 GLU 28 HG1 GLU 28 -9.431 6.892 -5.514 215 H GLY 29 HN GLY 29 -12.054 8.859 -1.279 216 HA2 GLY 29 HA2 GLY 29 -14.056 8.772 0.048 217 HA3 GLY 29 HA1 GLY 29 -14.746 7.684 -1.147 218 H ALA 30 HN ALA 30 -11.805 7.792 0.889 219 HA ALA 30 HA ALA 30 -12.675 5.318 2.153 220 HB1 ALA 30 HB1 ALA 30 -11.344 4.564 0.246 221 HB2 ALA 30 HB2 ALA 30 -10.536 4.196 1.769 222 HB3 ALA 30 HB3 ALA 30 -9.992 5.558 0.788 223 H GLU 31 HN GLU 31 -10.855 4.667 3.828 224 HA GLU 31 HA GLU 31 -10.002 7.129 5.213 225 HB2 GLU 31 HB2 GLU 31 -11.888 5.985 6.340 226 HB3 GLU 31 HB1 GLU 31 -10.914 4.528 6.458 227 HG2 GLU 31 HG2 GLU 31 -9.404 5.564 7.970 228 HG3 GLU 31 HG1 GLU 31 -10.128 7.148 7.698 229 H VAL 32 HN VAL 32 -7.895 7.209 5.854 230 HA VAL 32 HA VAL 32 -6.262 4.956 4.862 231 HB VAL 32 HB VAL 32 -5.446 7.853 4.881 232 HG11 VAL 32 HG11 VAL 32 -3.732 7.143 3.320 233 HG12 VAL 32 HG12 VAL 32 -4.343 5.489 3.372 234 HG13 VAL 32 HG13 VAL 32 -3.623 6.208 4.813 235 HG21 VAL 32 HG21 VAL 32 -5.982 7.945 2.523 236 HG22 VAL 32 HG22 VAL 32 -7.423 7.556 3.463 237 HG23 VAL 32 HG23 VAL 32 -6.579 6.286 2.572 238 H VAL 33 HN VAL 33 -4.757 4.108 6.138 239 HA VAL 33 HA VAL 33 -3.949 5.514 8.591 240 HB VAL 33 HB VAL 33 -3.418 2.643 7.839 241 HG11 VAL 33 HG11 VAL 33 -1.813 3.589 9.410 242 HG12 VAL 33 HG12 VAL 33 -2.821 2.371 10.188 243 HG13 VAL 33 HG13 VAL 33 -3.133 4.082 10.469 244 HG21 VAL 33 HG21 VAL 33 -5.160 2.009 9.404 245 HG22 VAL 33 HG22 VAL 33 -5.820 3.013 8.112 246 HG23 VAL 33 HG23 VAL 33 -5.525 3.709 9.706 247 H VAL 34 HN VAL 34 -1.769 6.011 8.903 248 HA VAL 34 HA VAL 34 -0.043 5.586 6.552 249 HB VAL 34 HB VAL 34 0.072 7.806 8.606 250 HG11 VAL 34 HG11 VAL 34 1.760 8.795 7.120 251 HG12 VAL 34 HG12 VAL 34 1.724 7.334 6.134 252 HG13 VAL 34 HG13 VAL 34 2.284 7.257 7.803 253 HG21 VAL 34 HG21 VAL 34 -1.829 8.037 7.102 254 HG22 VAL 34 HG22 VAL 34 -0.768 7.849 5.707 255 HG23 VAL 34 HG23 VAL 34 -0.609 9.261 6.752 256 H ALA 35 HN ALA 35 1.710 4.342 6.826 257 HA ALA 35 HA ALA 35 2.929 4.140 9.484 258 HB1 ALA 35 HB1 ALA 35 1.331 2.235 9.181 259 HB2 ALA 35 HB2 ALA 35 3.004 1.761 9.472 260 HB3 ALA 35 HB3 ALA 35 2.337 1.683 7.838 261 H ALA 36 HN ALA 36 5.098 4.116 9.435 262 HA ALA 36 HA ALA 36 6.409 4.101 6.816 263 HB1 ALA 36 HB1 ALA 36 8.334 5.050 7.970 264 HB2 ALA 36 HB2 ALA 36 7.506 4.858 9.522 265 HB3 ALA 36 HB3 ALA 36 6.878 5.983 8.317 266 H THR 37 HN THR 37 6.004 2.171 9.606 267 HA THR 37 HA THR 37 8.283 0.491 8.816 268 HB THR 37 HB THR 37 8.355 -0.289 11.173 269 HG1 THR 37 HG1 THR 37 7.166 1.475 12.560 270 HG21 THR 37 HG21 THR 37 9.349 1.737 12.125 271 HG22 THR 37 HG22 THR 37 8.615 2.700 10.844 272 HG23 THR 37 HG23 THR 37 9.851 1.504 10.450 273 H CYS 38 HN CYS 38 8.010 -1.801 9.126 274 HA CYS 38 HA CYS 38 5.469 -2.810 8.450 275 HB2 CYS 38 HB2 CYS 38 7.824 -4.256 9.681 276 HB3 CYS 38 HB1 CYS 38 6.447 -5.024 8.902 277 HG CYS 38 HG CYS 38 8.890 -3.147 7.420 278 H GLU 39 HN GLU 39 7.090 -2.207 11.484 279 HA GLU 39 HA GLU 39 5.403 -3.582 13.233 280 HB2 GLU 39 HB2 GLU 39 6.843 -0.968 13.656 281 HB3 GLU 39 HB1 GLU 39 6.150 -1.949 14.935 282 HG2 GLU 39 HG2 GLU 39 7.690 -3.748 14.416 283 HG3 GLU 39 HG1 GLU 39 8.359 -2.807 13.084 284 H GLN 40 HN GLN 40 5.237 -0.159 12.199 285 HA GLN 40 HA GLN 40 2.825 0.489 13.442 286 HB2 GLN 40 HB2 GLN 40 4.246 1.521 11.015 287 HB3 GLN 40 HB1 GLN 40 2.664 2.137 11.432 288 HG2 GLN 40 HG2 GLN 40 3.584 2.751 13.661 289 HG3 GLN 40 HG1 GLN 40 5.172 2.296 13.050 290 HE21 GLN 40 HE21 GLN 40 6.226 3.619 11.638 291 HE22 GLN 40 HE22 GLN 40 5.671 5.209 11.231 292 H ALA 41 HN ALA 41 3.471 -0.973 10.329 293 HA ALA 41 HA ALA 41 0.844 -0.887 9.328 294 HB1 ALA 41 HB1 ALA 41 1.620 -2.412 7.664 295 HB2 ALA 41 HB2 ALA 41 2.976 -2.899 8.676 296 HB3 ALA 41 HB3 ALA 41 2.915 -1.265 8.011 297 H LEU 42 HN LEU 42 2.667 -3.497 10.931 298 HA LEU 42 HA LEU 42 0.595 -5.388 10.875 299 HB2 LEU 42 HB2 LEU 42 2.909 -5.137 12.791 300 HB3 LEU 42 HB1 LEU 42 1.919 -6.562 12.573 301 HG LEU 42 HG LEU 42 3.682 -5.336 10.460 302 HD11 LEU 42 HD11 LEU 42 4.048 -7.810 12.134 303 HD12 LEU 42 HD12 LEU 42 4.994 -6.322 12.231 304 HD13 LEU 42 HD13 LEU 42 5.073 -7.327 10.781 305 HD21 LEU 42 HD21 LEU 42 2.039 -7.866 10.451 306 HD22 LEU 42 HD22 LEU 42 3.216 -7.417 9.219 307 HD23 LEU 42 HD23 LEU 42 1.777 -6.429 9.462 308 H LYS 43 HN LYS 43 1.354 -2.798 13.117 309 HA LYS 43 HA LYS 43 -0.416 -3.604 15.177 310 HB2 LYS 43 HB2 LYS 43 1.357 -1.856 15.423 311 HB3 LYS 43 HB1 LYS 43 0.369 -0.780 14.452 312 HG2 LYS 43 HG2 LYS 43 -1.418 -0.919 16.119 313 HG3 LYS 43 HG1 LYS 43 -0.413 -1.985 17.100 314 HD2 LYS 43 HD2 LYS 43 1.264 -0.197 17.290 315 HD3 LYS 43 HD1 LYS 43 0.215 0.866 16.350 316 HE2 LYS 43 HE2 LYS 43 -0.049 1.355 18.696 317 HE3 LYS 43 HE1 LYS 43 -1.528 0.623 18.081 318 HZ1 LYS 43 HZ1 LYS 43 0.588 -0.842 19.562 319 HZ2 LYS 43 HZ2 LYS 43 -0.903 -1.465 19.057 320 HZ3 LYS 43 HZ3 LYS 43 -0.845 -0.269 20.248 321 H SER 44 HN SER 44 -0.763 -1.397 12.441 322 HA SER 44 HA SER 44 -3.478 -0.770 12.908 323 HB2 SER 44 HB2 SER 44 -1.844 0.508 11.431 324 HB3 SER 44 HB1 SER 44 -2.131 -0.726 10.206 325 HG SER 44 HG SER 44 -3.814 1.275 11.158 326 H LEU 45 HN LEU 45 -1.874 -3.326 11.112 327 HA LEU 45 HA LEU 45 -4.036 -4.435 9.743 328 HB2 LEU 45 HB2 LEU 45 -1.360 -5.145 10.383 329 HB3 LEU 45 HB1 LEU 45 -2.365 -6.508 10.818 330 HG LEU 45 HG LEU 45 -1.575 -6.871 8.607 331 HD11 LEU 45 HD11 LEU 45 -3.622 -7.029 7.327 332 HD12 LEU 45 HD12 LEU 45 -4.418 -5.898 8.419 333 HD13 LEU 45 HD13 LEU 45 -3.910 -7.482 9.007 334 HD21 LEU 45 HD21 LEU 45 -1.954 -5.281 6.783 335 HD22 LEU 45 HD22 LEU 45 -0.931 -4.604 8.050 336 HD23 LEU 45 HD23 LEU 45 -2.626 -4.131 7.938 337 H ALA 46 HN ALA 46 -2.962 -4.796 13.084 338 HA ALA 46 HA ALA 46 -4.947 -6.812 13.670 339 HB1 ALA 46 HB1 ALA 46 -3.030 -5.368 15.491 340 HB2 ALA 46 HB2 ALA 46 -2.756 -6.931 14.723 341 HB3 ALA 46 HB3 ALA 46 -4.026 -6.753 15.933 342 H ASP 47 HN ASP 47 -4.392 -3.402 14.453 343 HA ASP 47 HA ASP 47 -6.602 -3.202 16.243 344 HB2 ASP 47 HB2 ASP 47 -4.638 -1.689 16.312 345 HB3 ASP 47 HB1 ASP 47 -5.154 -0.985 14.787 346 H ASN 48 HN ASN 48 -6.162 -2.595 12.818 347 HA ASN 48 HA ASN 48 -9.018 -1.886 12.644 348 HB2 ASN 48 HB2 ASN 48 -6.842 -1.048 10.724 349 HB3 ASN 48 HB1 ASN 48 -8.515 -0.537 10.695 350 HD21 ASN 48 HD21 ASN 48 -5.428 -0.069 12.064 351 HD22 ASN 48 HD22 ASN 48 -5.816 1.308 13.038 352 HA PRO 49 HA PRO 49 -9.200 -5.137 9.565 353 HB2 PRO 49 HB2 PRO 49 -11.603 -4.485 8.484 354 HB3 PRO 49 HB1 PRO 49 -11.429 -5.208 10.081 355 HG2 PRO 49 HG2 PRO 49 -12.296 -2.528 9.390 356 HG3 PRO 49 HG1 PRO 49 -12.299 -3.318 10.974 357 HD2 PRO 49 HD2 PRO 49 -10.352 -1.436 9.831 358 HD3 PRO 49 HD1 PRO 49 -10.603 -1.903 11.523 359 H ILE 50 HN ILE 50 -7.450 -4.368 8.250 360 HA ILE 50 HA ILE 50 -7.641 -2.259 6.414 361 HB ILE 50 HB ILE 50 -5.794 -4.645 6.469 362 HG12 ILE 50 HG12 ILE 50 -5.584 -3.249 8.427 363 HG13 ILE 50 HG11 ILE 50 -4.189 -2.998 7.392 364 HG21 ILE 50 HG21 ILE 50 -5.892 -3.685 4.228 365 HG22 ILE 50 HG22 ILE 50 -4.335 -3.390 5.000 366 HG23 ILE 50 HG23 ILE 50 -5.528 -2.096 4.897 367 HD11 ILE 50 HD11 ILE 50 -6.529 -1.168 7.816 368 HD12 ILE 50 HD12 ILE 50 -5.374 -0.958 6.503 369 HD13 ILE 50 HD13 ILE 50 -4.829 -0.871 8.182 370 H ASP 51 HN ASP 51 -8.742 -2.111 4.610 371 HA ASP 51 HA ASP 51 -9.877 -4.484 3.365 372 HB2 ASP 51 HB2 ASP 51 -10.299 -1.526 2.931 373 HB3 ASP 51 HB1 ASP 51 -11.010 -2.747 1.884 374 H VAL 52 HN VAL 52 -7.454 -2.065 2.811 375 HA VAL 52 HA VAL 52 -6.296 -3.538 0.654 376 HB VAL 52 HB VAL 52 -8.120 -2.386 -0.564 377 HG11 VAL 52 HG11 VAL 52 -6.775 0.131 0.389 378 HG12 VAL 52 HG12 VAL 52 -8.395 -0.427 0.807 379 HG13 VAL 52 HG13 VAL 52 -8.027 0.057 -0.848 380 HG21 VAL 52 HG21 VAL 52 -6.082 -2.882 -1.765 381 HG22 VAL 52 HG22 VAL 52 -5.358 -1.374 -1.207 382 HG23 VAL 52 HG23 VAL 52 -6.737 -1.335 -2.308 383 H ALA 53 HN ALA 53 -4.233 -2.567 -0.001 384 HA ALA 53 HA ALA 53 -3.306 -0.454 1.793 385 HB1 ALA 53 HB1 ALA 53 -2.853 -2.646 2.858 386 HB2 ALA 53 HB2 ALA 53 -1.400 -1.704 2.519 387 HB3 ALA 53 HB3 ALA 53 -1.836 -3.060 1.475 388 H VAL 54 HN VAL 54 -1.294 0.462 1.229 389 HA VAL 54 HA VAL 54 -0.362 -0.053 -1.506 390 HB VAL 54 HB VAL 54 0.135 2.658 -1.005 391 HG11 VAL 54 HG11 VAL 54 -0.236 1.794 -3.173 392 HG12 VAL 54 HG12 VAL 54 -1.555 2.931 -2.853 393 HG13 VAL 54 HG13 VAL 54 -1.840 1.191 -2.730 394 HG21 VAL 54 HG21 VAL 54 -2.056 3.613 -0.583 395 HG22 VAL 54 HG22 VAL 54 -1.570 2.590 0.769 396 HG23 VAL 54 HG23 VAL 54 -2.748 2.003 -0.402 397 H LEU 55 HN LEU 55 1.676 -0.698 -1.370 398 HA LEU 55 HA LEU 55 3.141 0.067 1.054 399 HB2 LEU 55 HB2 LEU 55 2.972 -2.476 -0.484 400 HB3 LEU 55 HB1 LEU 55 4.448 -2.120 0.388 401 HG LEU 55 HG LEU 55 3.207 -2.007 2.496 402 HD11 LEU 55 HD11 LEU 55 0.855 -2.740 2.574 403 HD12 LEU 55 HD12 LEU 55 0.803 -2.655 0.811 404 HD13 LEU 55 HD13 LEU 55 1.079 -1.191 1.758 405 HD21 LEU 55 HD21 LEU 55 2.710 -4.490 0.874 406 HD22 LEU 55 HD22 LEU 55 2.493 -4.381 2.622 407 HD23 LEU 55 HD23 LEU 55 4.094 -4.144 1.913 408 H ASP 56 HN ASP 56 4.380 1.730 0.526 409 HA ASP 56 HA ASP 56 5.941 1.904 -1.853 410 HB2 ASP 56 HB2 ASP 56 5.489 3.506 0.523 411 HB3 ASP 56 HB1 ASP 56 7.205 3.430 0.152 412 H VAL 57 HN VAL 57 7.150 0.088 -2.139 413 HA VAL 57 HA VAL 57 8.416 -1.407 -0.156 414 HB VAL 57 HB VAL 57 9.272 -1.183 -3.049 415 HG11 VAL 57 HG11 VAL 57 10.899 -2.345 -1.678 416 HG12 VAL 57 HG12 VAL 57 10.074 -3.482 -2.746 417 HG13 VAL 57 HG13 VAL 57 9.637 -3.398 -1.039 418 HG21 VAL 57 HG21 VAL 57 7.206 -2.987 -1.797 419 HG22 VAL 57 HG22 VAL 57 7.773 -3.076 -3.465 420 HG23 VAL 57 HG23 VAL 57 6.892 -1.653 -2.907 421 H ASN 58 HN ASN 58 9.411 1.484 -1.753 422 HA ASN 58 HA ASN 58 12.203 1.214 -1.187 423 HB2 ASN 58 HB2 ASN 58 12.193 3.617 -2.042 424 HB3 ASN 58 HB1 ASN 58 11.708 2.371 -3.170 425 HD21 ASN 58 HD21 ASN 58 9.714 3.685 -0.583 426 HD22 ASN 58 HD22 ASN 58 8.533 4.404 -1.626 427 H LEU 59 HN LEU 59 11.087 0.920 1.231 428 HA LEU 59 HA LEU 59 10.724 3.358 2.665 429 HB2 LEU 59 HB2 LEU 59 11.407 0.596 3.679 430 HB3 LEU 59 HB1 LEU 59 10.938 1.946 4.692 431 HG LEU 59 HG LEU 59 9.211 0.538 2.658 432 HD11 LEU 59 HD11 LEU 59 9.024 0.744 5.658 433 HD12 LEU 59 HD12 LEU 59 9.526 -0.681 4.748 434 HD13 LEU 59 HD13 LEU 59 7.876 -0.077 4.601 435 HD21 LEU 59 HD21 LEU 59 8.688 2.881 2.605 436 HD22 LEU 59 HD22 LEU 59 8.642 2.953 4.367 437 HD23 LEU 59 HD23 LEU 59 7.422 2.029 3.488 438 H GLY 60 HN GLY 60 13.452 1.461 1.758 439 HA2 GLY 60 HA2 GLY 60 15.285 3.521 2.103 440 HA3 GLY 60 HA1 GLY 60 15.367 2.515 3.544 441 HA PRO 61 HA PRO 61 18.181 0.788 0.136 442 HB2 PRO 61 HB2 PRO 61 19.947 0.691 2.503 443 HB3 PRO 61 HB1 PRO 61 20.326 1.141 0.841 444 HG2 PRO 61 HG2 PRO 61 20.117 2.995 2.748 445 HG3 PRO 61 HG1 PRO 61 19.524 3.298 1.104 446 HD2 PRO 61 HD2 PRO 61 17.992 2.658 3.585 447 HD3 PRO 61 HD1 PRO 61 17.573 3.741 2.245 448 H LYS 62 HN LYS 62 17.633 -0.029 3.530 449 HA LYS 62 HA LYS 62 17.559 -2.878 2.769 450 HB2 LYS 62 HB2 LYS 62 19.299 -2.363 4.430 451 HB3 LYS 62 HB1 LYS 62 18.088 -1.648 5.486 452 HG2 LYS 62 HG2 LYS 62 16.966 -3.867 5.596 453 HG3 LYS 62 HG1 LYS 62 18.318 -4.538 4.684 454 HD2 LYS 62 HD2 LYS 62 18.550 -3.137 7.345 455 HD3 LYS 62 HD1 LYS 62 18.531 -4.886 7.122 456 HE2 LYS 62 HE2 LYS 62 20.558 -4.707 5.738 457 HE3 LYS 62 HE1 LYS 62 20.581 -2.967 6.017 458 HZ1 LYS 62 HZ1 LYS 62 22.088 -4.113 7.507 459 HZ2 LYS 62 HZ2 LYS 62 20.825 -5.060 8.110 460 HZ3 LYS 62 HZ3 LYS 62 20.837 -3.392 8.384 461 H SER 63 HN SER 63 15.943 -0.258 4.421 462 HA SER 63 HA SER 63 13.863 -1.731 5.602 463 HB2 SER 63 HB2 SER 63 13.915 1.166 4.741 464 HB3 SER 63 HB1 SER 63 12.766 0.440 5.861 465 HG SER 63 HG SER 63 14.258 0.373 7.388 466 H HIS 64 HN HIS 64 12.109 -2.607 4.773 467 HA HIS 64 HA HIS 64 10.974 -1.597 2.288 468 HB2 HIS 64 HB2 HIS 64 10.973 -3.817 1.224 469 HB3 HIS 64 HB1 HIS 64 12.614 -3.287 1.552 470 HD1 HIS 64 HD1 HIS 64 10.004 -5.672 2.921 471 HD2 HIS 64 HD2 HIS 64 14.091 -5.012 3.053 472 HE1 HIS 64 HE1 HIS 64 10.959 -7.632 4.163 473 HE2 HIS 64 HE2 HIS 64 13.450 -7.285 4.102 474 H CYS 65 HN CYS 65 8.781 -2.109 2.026 475 HA CYS 65 HA CYS 65 7.313 -3.067 4.283 476 HB2 CYS 65 HB2 CYS 65 5.390 -2.883 2.736 477 HB3 CYS 65 HB1 CYS 65 6.380 -1.425 2.744 478 HG CYS 65 HG CYS 65 6.890 -3.823 0.416 479 H GLY 66 HN GLY 66 8.208 -5.156 4.689 480 HA2 GLY 66 HA2 GLY 66 7.745 -7.142 2.550 481 HA3 GLY 66 HA1 GLY 66 8.959 -7.300 3.806 482 HA PRO 67 HA PRO 67 6.255 -9.520 6.548 483 HB2 PRO 67 HB2 PRO 67 6.335 -7.265 8.468 484 HB3 PRO 67 HB1 PRO 67 6.713 -8.967 8.715 485 HG2 PRO 67 HG2 PRO 67 8.630 -7.099 8.551 486 HG3 PRO 67 HG1 PRO 67 8.860 -8.753 7.964 487 HD2 PRO 67 HD2 PRO 67 8.463 -6.248 6.439 488 HD3 PRO 67 HD1 PRO 67 9.310 -7.736 5.987 489 H VAL 68 HN VAL 68 5.591 -6.181 5.814 490 HA VAL 68 HA VAL 68 2.868 -6.132 6.655 491 HB VAL 68 HB VAL 68 4.117 -4.475 4.460 492 HG11 VAL 68 HG11 VAL 68 2.397 -2.868 4.988 493 HG12 VAL 68 HG12 VAL 68 1.797 -3.893 6.292 494 HG13 VAL 68 HG13 VAL 68 1.661 -4.427 4.616 495 HG21 VAL 68 HG21 VAL 68 4.080 -3.972 7.432 496 HG22 VAL 68 HG22 VAL 68 4.576 -2.801 6.211 497 HG23 VAL 68 HG23 VAL 68 5.501 -4.286 6.438 498 H ALA 69 HN ALA 69 4.513 -6.708 3.595 499 HA ALA 69 HA ALA 69 2.226 -7.065 1.990 500 HB1 ALA 69 HB1 ALA 69 4.999 -8.206 1.660 501 HB2 ALA 69 HB2 ALA 69 4.458 -6.629 1.080 502 HB3 ALA 69 HB3 ALA 69 3.763 -8.104 0.404 503 H ASP 70 HN ASP 70 4.309 -9.317 3.751 504 HA ASP 70 HA ASP 70 2.943 -11.670 3.037 505 HB2 ASP 70 HB2 ASP 70 4.577 -11.017 5.499 506 HB3 ASP 70 HB1 ASP 70 3.986 -12.630 5.116 507 H ALA 71 HN ALA 71 2.527 -9.400 5.710 508 HA ALA 71 HA ALA 71 0.538 -10.688 7.170 509 HB1 ALA 71 HB1 ALA 71 1.689 -8.624 7.869 510 HB2 ALA 71 HB2 ALA 71 -0.065 -8.496 8.000 511 HB3 ALA 71 HB3 ALA 71 0.778 -7.727 6.653 512 H LEU 72 HN LEU 72 0.240 -8.416 4.483 513 HA LEU 72 HA LEU 72 -2.567 -8.481 4.292 514 HB2 LEU 72 HB2 LEU 72 -0.462 -7.800 2.243 515 HB3 LEU 72 HB1 LEU 72 -2.172 -7.457 2.075 516 HG LEU 72 HG LEU 72 -0.413 -6.343 4.260 517 HD11 LEU 72 HD11 LEU 72 -1.462 -5.063 1.762 518 HD12 LEU 72 HD12 LEU 72 0.222 -5.453 2.131 519 HD13 LEU 72 HD13 LEU 72 -0.633 -4.236 3.085 520 HD21 LEU 72 HD21 LEU 72 -3.277 -5.828 3.475 521 HD22 LEU 72 HD22 LEU 72 -2.364 -4.856 4.630 522 HD23 LEU 72 HD23 LEU 72 -2.703 -6.554 4.975 523 H LYS 73 HN LYS 73 -0.005 -10.277 2.676 524 HA LYS 73 HA LYS 73 -1.511 -11.793 0.913 525 HB2 LYS 73 HB2 LYS 73 1.122 -11.936 2.231 526 HB3 LYS 73 HB1 LYS 73 0.515 -13.425 1.557 527 HG2 LYS 73 HG2 LYS 73 0.663 -10.878 -0.009 528 HG3 LYS 73 HG1 LYS 73 1.983 -12.035 0.063 529 HD2 LYS 73 HD2 LYS 73 -0.804 -12.585 -0.941 530 HD3 LYS 73 HD1 LYS 73 0.637 -12.386 -1.939 531 HE2 LYS 73 HE2 LYS 73 1.636 -14.343 -0.759 532 HE3 LYS 73 HE1 LYS 73 0.094 -14.576 0.060 533 HZ1 LYS 73 HZ1 LYS 73 0.214 -16.020 -1.819 534 HZ2 LYS 73 HZ2 LYS 73 0.591 -14.741 -2.860 535 HZ3 LYS 73 HZ3 LYS 73 -0.940 -14.827 -2.147 536 H GLN 74 HN GLN 74 -0.757 -12.264 4.326 537 HA GLN 74 HA GLN 74 -1.740 -14.884 4.607 538 HB2 GLN 74 HB2 GLN 74 -1.440 -12.625 6.578 539 HB3 GLN 74 HB1 GLN 74 -2.028 -14.211 7.054 540 HG2 GLN 74 HG2 GLN 74 0.639 -13.658 5.777 541 HG3 GLN 74 HG1 GLN 74 0.361 -13.905 7.499 542 HE21 GLN 74 HE21 GLN 74 -1.655 -15.973 7.036 543 HE22 GLN 74 HE22 GLN 74 -0.785 -17.385 6.550 544 H ARG 75 HN ARG 75 -3.357 -11.752 5.034 545 HA ARG 75 HA ARG 75 -5.862 -13.117 5.642 546 HB2 ARG 75 HB2 ARG 75 -5.207 -10.171 5.578 547 HB3 ARG 75 HB1 ARG 75 -6.719 -10.871 6.134 548 HG2 ARG 75 HG2 ARG 75 -5.495 -12.039 7.914 549 HG3 ARG 75 HG1 ARG 75 -4.007 -11.261 7.375 550 HD2 ARG 75 HD2 ARG 75 -4.968 -9.077 7.834 551 HD3 ARG 75 HD1 ARG 75 -6.482 -9.831 8.328 552 HE ARG 75 HE ARG 75 -4.250 -10.796 9.829 553 HH11 ARG 75 HH11 ARG 75 -6.521 -8.166 9.533 554 HH12 ARG 75 HH12 ARG 75 -6.388 -7.685 11.193 555 HH21 ARG 75 HH21 ARG 75 -4.092 -10.197 12.038 556 HH22 ARG 75 HH22 ARG 75 -5.027 -8.858 12.625 557 H ALA 76 HN ALA 76 -4.344 -12.570 2.917 558 HA ALA 76 HA ALA 76 -4.882 -12.331 0.733 559 HB1 ALA 76 HB1 ALA 76 -6.432 -14.156 1.285 560 HB2 ALA 76 HB2 ALA 76 -7.061 -13.107 0.017 561 HB3 ALA 76 HB3 ALA 76 -7.679 -12.967 1.662 562 H ILE 77 HN ILE 77 -4.849 -9.957 2.342 563 HA ILE 77 HA ILE 77 -7.030 -8.285 1.446 564 HB ILE 77 HB ILE 77 -4.438 -7.611 2.857 565 HG12 ILE 77 HG12 ILE 77 -7.235 -7.692 3.990 566 HG13 ILE 77 HG11 ILE 77 -6.134 -9.063 4.065 567 HG21 ILE 77 HG21 ILE 77 -5.266 -5.690 1.625 568 HG22 ILE 77 HG22 ILE 77 -5.499 -5.449 3.357 569 HG23 ILE 77 HG23 ILE 77 -6.867 -5.901 2.336 570 HD11 ILE 77 HD11 ILE 77 -6.156 -7.774 6.140 571 HD12 ILE 77 HD12 ILE 77 -5.617 -6.346 5.254 572 HD13 ILE 77 HD13 ILE 77 -4.568 -7.761 5.373 573 HA PRO 78 HA PRO 78 -4.971 -7.264 -2.355 574 HB2 PRO 78 HB2 PRO 78 -6.580 -5.131 -3.008 575 HB3 PRO 78 HB1 PRO 78 -6.918 -6.818 -3.388 576 HG2 PRO 78 HG2 PRO 78 -8.150 -5.072 -1.399 577 HG3 PRO 78 HG1 PRO 78 -8.746 -6.588 -2.081 578 HD2 PRO 78 HD2 PRO 78 -7.619 -6.172 0.478 579 HD3 PRO 78 HD1 PRO 78 -8.056 -7.718 -0.258 580 H PHE 79 HN PHE 79 -3.367 -5.919 -2.908 581 HA PHE 79 HA PHE 79 -3.155 -3.256 -1.879 582 HB2 PHE 79 HB2 PHE 79 -1.091 -3.550 -0.620 583 HB3 PHE 79 HB1 PHE 79 -2.403 -4.470 0.090 584 HD1 PHE 79 HD2 PHE 79 -2.521 -6.954 -0.481 585 HD2 PHE 79 HD1 PHE 79 0.935 -4.570 -1.111 586 HE1 PHE 79 HE2 PHE 79 -1.136 -8.986 -0.543 587 HE2 PHE 79 HE1 PHE 79 2.331 -6.591 -1.180 588 HZ PHE 79 HZ PHE 79 1.353 -8.768 -0.814 589 H ILE 80 HN ILE 80 -1.335 -2.135 -2.704 590 HA ILE 80 HA ILE 80 -0.153 -3.429 -5.075 591 HB ILE 80 HB ILE 80 -1.068 -0.557 -4.838 592 HG12 ILE 80 HG12 ILE 80 -2.103 -2.883 -6.461 593 HG13 ILE 80 HG11 ILE 80 -2.943 -2.044 -5.160 594 HG21 ILE 80 HG21 ILE 80 0.960 -0.694 -6.161 595 HG22 ILE 80 HG22 ILE 80 -0.424 -0.349 -7.199 596 HG23 ILE 80 HG23 ILE 80 0.254 -1.978 -7.146 597 HD11 ILE 80 HD11 ILE 80 -2.190 -0.870 -7.824 598 HD12 ILE 80 HD12 ILE 80 -3.028 -0.026 -6.522 599 HD13 ILE 80 HD13 ILE 80 -3.800 -1.391 -7.326 600 H LEU 81 HN LEU 81 1.998 -3.062 -5.417 601 HA LEU 81 HA LEU 81 3.448 -1.780 -3.242 602 HB2 LEU 81 HB2 LEU 81 4.487 -3.234 -5.679 603 HB3 LEU 81 HB1 LEU 81 5.475 -2.625 -4.371 604 HG LEU 81 HG LEU 81 5.335 -4.878 -3.896 605 HD11 LEU 81 HD11 LEU 81 3.872 -5.122 -1.944 606 HD12 LEU 81 HD12 LEU 81 3.034 -3.636 -2.397 607 HD13 LEU 81 HD13 LEU 81 4.736 -3.584 -1.938 608 HD21 LEU 81 HD21 LEU 81 3.409 -6.271 -4.163 609 HD22 LEU 81 HD22 LEU 81 3.643 -5.355 -5.654 610 HD23 LEU 81 HD23 LEU 81 2.388 -4.876 -4.510 611 H HIS 82 HN HIS 82 3.590 0.330 -3.378 612 HA HIS 82 HA HIS 82 3.977 1.559 -6.015 613 HB2 HIS 82 HB2 HIS 82 2.118 2.478 -4.744 614 HB3 HIS 82 HB1 HIS 82 3.158 2.777 -3.359 615 HD1 HIS 82 HD1 HIS 82 2.833 5.320 -3.352 616 HD2 HIS 82 HD2 HIS 82 4.245 3.833 -6.961 617 HE1 HIS 82 HE1 HIS 82 3.358 7.335 -4.779 618 HE2 HIS 82 HE2 HIS 82 4.442 6.404 -6.825 619 H THR 83 HN THR 83 6.104 1.671 -6.515 620 HA THR 83 HA THR 83 7.936 2.775 -4.555 621 HB THR 83 HB THR 83 7.999 0.482 -3.882 622 HG1 THR 83 HG1 THR 83 10.267 -0.018 -4.949 623 HG21 THR 83 HG21 THR 83 7.017 -0.484 -5.919 624 HG22 THR 83 HG22 THR 83 8.460 -1.353 -5.405 625 HG23 THR 83 HG23 THR 83 8.544 -0.239 -6.766 626 H GLY 84 HN GLY 84 9.907 3.453 -5.402 627 HA2 GLY 84 HA2 GLY 84 9.935 3.734 -8.324 628 HA3 GLY 84 HA1 GLY 84 10.865 4.698 -7.183 629 H ASP 85 HN ASP 85 10.944 1.491 -6.297 630 HA ASP 85 HA ASP 85 13.106 0.721 -8.069 631 HB2 ASP 85 HB2 ASP 85 14.293 1.897 -6.299 632 HB3 ASP 85 HB1 ASP 85 13.486 0.917 -5.079 633 H LEU 86 HN LEU 86 12.694 -1.270 -8.682 634 HA LEU 86 HA LEU 86 11.687 -3.165 -6.663 635 HB2 LEU 86 HB2 LEU 86 11.262 -3.176 -9.647 636 HB3 LEU 86 HB1 LEU 86 10.891 -4.537 -8.602 637 HG LEU 86 HG LEU 86 8.859 -3.404 -9.009 638 HD11 LEU 86 HD11 LEU 86 9.160 -4.194 -6.763 639 HD12 LEU 86 HD12 LEU 86 8.141 -2.759 -6.813 640 HD13 LEU 86 HD13 LEU 86 9.822 -2.628 -6.295 641 HD21 LEU 86 HD21 LEU 86 8.480 -1.051 -8.605 642 HD22 LEU 86 HD22 LEU 86 9.757 -1.284 -9.798 643 HD23 LEU 86 HD23 LEU 86 10.170 -0.852 -8.139 644 H ASP 87 HN ASP 87 14.407 -2.166 -7.897 645 HA ASP 87 HA ASP 87 15.518 -4.650 -8.874 646 HB2 ASP 87 HB2 ASP 87 16.703 -1.911 -8.467 647 HB3 ASP 87 HB1 ASP 87 17.656 -3.295 -8.991 648 H ARG 88 HN ARG 88 16.158 -2.470 -6.119 649 HA ARG 88 HA ARG 88 18.124 -4.252 -5.054 650 HB2 ARG 88 HB2 ARG 88 16.882 -1.705 -4.065 651 HB3 ARG 88 HB1 ARG 88 18.056 -2.611 -3.134 652 HG2 ARG 88 HG2 ARG 88 19.297 -0.967 -4.225 653 HG3 ARG 88 HG1 ARG 88 19.582 -2.429 -5.157 654 HD2 ARG 88 HD2 ARG 88 17.864 -1.729 -6.755 655 HD3 ARG 88 HD1 ARG 88 17.611 -0.252 -5.834 656 HE ARG 88 HE ARG 88 20.329 -0.530 -6.622 657 HH11 ARG 88 HH11 ARG 88 17.138 0.341 -7.772 658 HH12 ARG 88 HH12 ARG 88 17.739 1.346 -9.060 659 HH21 ARG 88 HH21 ARG 88 21.119 0.812 -8.314 660 HH22 ARG 88 HH22 ARG 88 19.998 1.621 -9.360 661 H HIS 89 HN HIS 89 14.775 -4.082 -4.913 662 HA HIS 89 HA HIS 89 14.760 -5.881 -2.580 663 HB2 HIS 89 HB2 HIS 89 12.587 -3.919 -3.360 664 HB3 HIS 89 HB1 HIS 89 12.511 -5.052 -2.018 665 HD1 HIS 89 HD1 HIS 89 14.497 -4.605 -0.136 666 HD2 HIS 89 HD2 HIS 89 13.461 -1.467 -2.656 667 HE1 HIS 89 HE1 HIS 89 15.286 -2.517 1.025 668 HE2 HIS 89 HE2 HIS 89 14.666 -0.623 -0.525 669 H GLY 90 HN GLY 90 15.011 -6.434 -5.452 670 HA2 GLY 90 HA2 GLY 90 12.556 -7.053 -6.670 671 HA3 GLY 90 HA1 GLY 90 14.112 -7.714 -7.128 672 H GLU 91 HN GLU 91 14.691 -9.032 -4.684 673 HA GLU 91 HA GLU 91 13.359 -11.485 -5.120 674 HB2 GLU 91 HB2 GLU 91 14.975 -10.599 -2.722 675 HB3 GLU 91 HB1 GLU 91 14.556 -12.260 -3.124 676 HG2 GLU 91 HG2 GLU 91 15.857 -12.118 -5.166 677 HG3 GLU 91 HG1 GLU 91 16.248 -10.436 -4.818 678 H LEU 92 HN LEU 92 12.669 -8.767 -3.115 679 HA LEU 92 HA LEU 92 10.965 -10.008 -1.231 680 HB2 LEU 92 HB2 LEU 92 11.969 -7.770 -0.951 681 HB3 LEU 92 HB1 LEU 92 10.950 -7.166 -2.241 682 HG LEU 92 HG LEU 92 8.960 -7.812 -0.827 683 HD11 LEU 92 HD11 LEU 92 9.328 -8.103 1.556 684 HD12 LEU 92 HD12 LEU 92 11.074 -8.054 1.309 685 HD13 LEU 92 HD13 LEU 92 10.123 -9.386 0.645 686 HD21 LEU 92 HD21 LEU 92 9.727 -5.513 -1.058 687 HD22 LEU 92 HD22 LEU 92 10.874 -5.753 0.258 688 HD23 LEU 92 HD23 LEU 92 9.140 -5.818 0.576 689 H LEU 93 HN LEU 93 10.389 -8.497 -4.389 690 HA LEU 93 HA LEU 93 7.589 -8.458 -4.278 691 HB2 LEU 93 HB2 LEU 93 9.457 -8.600 -6.644 692 HB3 LEU 93 HB1 LEU 93 7.730 -8.452 -6.791 693 HG LEU 93 HG LEU 93 8.408 -6.300 -7.086 694 HD11 LEU 93 HD11 LEU 93 6.719 -6.570 -5.300 695 HD12 LEU 93 HD12 LEU 93 7.632 -5.062 -5.228 696 HD13 LEU 93 HD13 LEU 93 8.012 -6.377 -4.115 697 HD21 LEU 93 HD21 LEU 93 10.526 -6.917 -5.084 698 HD22 LEU 93 HD22 LEU 93 10.085 -5.250 -5.433 699 HD23 LEU 93 HD23 LEU 93 10.676 -6.292 -6.728 700 H ARG 94 HN ARG 94 9.818 -11.023 -4.900 701 HA ARG 94 HA ARG 94 8.092 -12.752 -6.322 702 HB2 ARG 94 HB2 ARG 94 10.453 -13.464 -4.575 703 HB3 ARG 94 HB1 ARG 94 9.703 -14.510 -5.773 704 HG2 ARG 94 HG2 ARG 94 10.325 -12.840 -7.513 705 HG3 ARG 94 HG1 ARG 94 11.218 -11.962 -6.270 706 HD2 ARG 94 HD2 ARG 94 11.726 -14.761 -7.262 707 HD3 ARG 94 HD1 ARG 94 12.761 -13.350 -7.461 708 HE ARG 94 HE ARG 94 12.214 -14.152 -4.724 709 HH11 ARG 94 HH11 ARG 94 14.394 -14.312 -7.454 710 HH12 ARG 94 HH12 ARG 94 15.755 -14.803 -6.501 711 HH21 ARG 94 HH21 ARG 94 14.002 -14.813 -3.466 712 HH22 ARG 94 HH22 ARG 94 15.532 -15.090 -4.234 713 H LYS 95 HN LYS 95 8.624 -12.169 -2.909 714 HA LYS 95 HA LYS 95 7.023 -14.413 -2.056 715 HB2 LYS 95 HB2 LYS 95 8.121 -12.033 -0.553 716 HB3 LYS 95 HB1 LYS 95 7.224 -13.343 0.200 717 HG2 LYS 95 HG2 LYS 95 8.953 -14.923 -0.457 718 HG3 LYS 95 HG1 LYS 95 9.845 -13.626 -1.255 719 HD2 LYS 95 HD2 LYS 95 10.778 -14.091 0.952 720 HD3 LYS 95 HD1 LYS 95 10.084 -12.470 0.891 721 HE2 LYS 95 HE2 LYS 95 8.048 -13.326 1.984 722 HE3 LYS 95 HE1 LYS 95 8.786 -14.924 2.079 723 HZ1 LYS 95 HZ1 LYS 95 8.997 -13.699 4.157 724 HZ2 LYS 95 HZ2 LYS 95 9.835 -12.463 3.364 725 HZ3 LYS 95 HZ3 LYS 95 10.517 -14.005 3.478 726 H ILE 96 HN ILE 96 6.574 -11.093 -2.841 727 HA ILE 96 HA ILE 96 4.072 -10.786 -1.486 728 HB ILE 96 HB ILE 96 5.375 -9.062 -3.598 729 HG12 ILE 96 HG12 ILE 96 5.430 -8.824 -0.581 730 HG13 ILE 96 HG11 ILE 96 6.776 -9.355 -1.582 731 HG21 ILE 96 HG21 ILE 96 3.039 -8.584 -3.443 732 HG22 ILE 96 HG22 ILE 96 3.931 -7.295 -2.632 733 HG23 ILE 96 HG23 ILE 96 3.121 -8.538 -1.683 734 HD11 ILE 96 HD11 ILE 96 6.933 -7.192 -2.604 735 HD12 ILE 96 HD12 ILE 96 6.947 -7.005 -0.850 736 HD13 ILE 96 HD13 ILE 96 5.482 -6.646 -1.765 737 H ASP 97 HN ASP 97 4.984 -10.644 -4.928 738 HA ASP 97 HA ASP 97 3.807 -10.919 -6.839 739 HB2 ASP 97 HB2 ASP 97 3.876 -13.274 -6.160 740 HB3 ASP 97 HB1 ASP 97 2.389 -13.061 -5.242 741 H ALA 98 HN ALA 98 2.973 -8.789 -6.380 742 HA ALA 98 HA ALA 98 0.072 -8.774 -6.564 743 HB1 ALA 98 HB1 ALA 98 1.547 -7.113 -4.512 744 HB2 ALA 98 HB2 ALA 98 0.492 -8.481 -4.159 745 HB3 ALA 98 HB3 ALA 98 -0.174 -7.015 -4.877 746 HA PRO 99 HA PRO 99 0.712 -5.594 -9.549 747 HB2 PRO 99 HB2 PRO 99 -1.091 -3.774 -8.051 748 HB3 PRO 99 HB1 PRO 99 -1.195 -4.332 -9.722 749 HG2 PRO 99 HG2 PRO 99 -2.839 -5.307 -7.889 750 HG3 PRO 99 HG1 PRO 99 -2.116 -6.372 -9.106 751 HD2 PRO 99 HD2 PRO 99 -1.339 -5.985 -6.242 752 HD3 PRO 99 HD1 PRO 99 -1.486 -7.492 -7.174 753 H VAL 100 HN VAL 100 2.097 -3.960 -9.942 754 HA VAL 100 HA VAL 100 3.168 -2.493 -7.626 755 HB VAL 100 HB VAL 100 4.727 -3.426 -10.046 756 HG11 VAL 100 HG11 VAL 100 6.694 -2.690 -8.784 757 HG12 VAL 100 HG12 VAL 100 5.642 -2.082 -7.506 758 HG13 VAL 100 HG13 VAL 100 5.590 -1.355 -9.113 759 HG21 VAL 100 HG21 VAL 100 5.831 -4.996 -8.545 760 HG22 VAL 100 HG22 VAL 100 4.094 -5.303 -8.608 761 HG23 VAL 100 HG23 VAL 100 4.793 -4.474 -7.218 762 H MET 101 HN MET 101 2.835 -0.391 -7.770 763 HA MET 101 HA MET 101 2.642 0.887 -10.412 764 HB2 MET 101 HB2 MET 101 1.751 1.771 -7.663 765 HB3 MET 101 HB1 MET 101 1.834 2.882 -9.022 766 HG2 MET 101 HG2 MET 101 0.240 0.345 -9.143 767 HG3 MET 101 HG1 MET 101 -0.420 1.837 -8.477 768 HE1 MET 101 HE1 MET 101 0.428 4.181 -10.121 769 HE2 MET 101 HE2 MET 101 -1.287 3.838 -9.889 770 HE3 MET 101 HE3 MET 101 -0.668 4.203 -11.500 771 H ALA 102 HN ALA 102 4.699 1.261 -11.026 772 HA ALA 102 HA ALA 102 6.763 1.981 -9.177 773 HB1 ALA 102 HB1 ALA 102 7.235 0.655 -11.178 774 HB2 ALA 102 HB2 ALA 102 8.193 2.134 -11.142 775 HB3 ALA 102 HB3 ALA 102 6.780 2.024 -12.192 776 H LYS 103 HN LYS 103 8.071 3.917 -9.373 777 HA LYS 103 HA LYS 103 6.367 6.264 -9.684 778 HB2 LYS 103 HB2 LYS 103 9.114 5.935 -8.460 779 HB3 LYS 103 HB1 LYS 103 8.216 7.448 -8.512 780 HG2 LYS 103 HG2 LYS 103 6.457 6.465 -7.150 781 HG3 LYS 103 HG1 LYS 103 7.325 4.929 -7.120 782 HD2 LYS 103 HD2 LYS 103 9.187 5.993 -5.964 783 HD3 LYS 103 HD1 LYS 103 8.351 7.546 -6.020 784 HE2 LYS 103 HE2 LYS 103 6.582 6.691 -4.621 785 HE3 LYS 103 HE1 LYS 103 7.292 5.078 -4.653 786 HZ1 LYS 103 HZ1 LYS 103 9.247 5.988 -3.519 787 HZ2 LYS 103 HZ2 LYS 103 7.831 6.165 -2.601 788 HZ3 LYS 103 HZ3 LYS 103 8.489 7.500 -3.421 789 HA PRO 104 HA PRO 104 6.981 8.615 -9.704 790 HB2 PRO 104 HB2 PRO 104 6.061 9.995 -12.126 791 HB3 PRO 104 HB1 PRO 104 6.962 10.633 -10.749 792 HG2 PRO 104 HG2 PRO 104 8.098 10.309 -13.167 793 HG3 PRO 104 HG1 PRO 104 9.007 10.084 -11.660 794 HD2 PRO 104 HD2 PRO 104 7.811 8.022 -13.477 795 HD3 PRO 104 HD1 PRO 104 9.390 8.027 -12.666 796 H ALA 105 HN ALA 105 4.962 8.357 -8.993 797 HA ALA 105 HA ALA 105 2.907 7.395 -10.865 798 HB1 ALA 105 HB1 ALA 105 3.181 6.449 -8.006 799 HB2 ALA 105 HB2 ALA 105 3.736 5.536 -9.421 800 HB3 ALA 105 HB3 ALA 105 2.018 5.891 -9.221 801 H ASP 106 HN ASP 106 1.035 8.471 -10.756 802 HA ASP 106 HA ASP 106 0.825 10.683 -8.915 803 HB2 ASP 106 HB2 ASP 106 -0.019 10.765 -11.300 804 HB3 ASP 106 HB1 ASP 106 -1.299 9.655 -10.812 805 H THR 107 HN THR 107 -0.290 10.737 -7.087 806 HA THR 107 HA THR 107 -0.785 8.283 -5.821 807 HB THR 107 HB THR 107 -1.678 9.763 -3.961 808 HG1 THR 107 HG1 THR 107 -2.164 11.734 -4.599 809 HG21 THR 107 HG21 THR 107 0.647 8.967 -4.115 810 HG22 THR 107 HG22 THR 107 0.567 10.591 -3.436 811 HG23 THR 107 HG23 THR 107 1.050 10.362 -5.120 812 H SER 108 HN SER 108 -2.881 10.393 -7.611 813 HA SER 108 HA SER 108 -5.323 9.310 -6.611 814 HB2 SER 108 HB2 SER 108 -5.252 11.466 -7.804 815 HB3 SER 108 HB1 SER 108 -4.740 10.641 -9.273 816 HG SER 108 HG SER 108 -7.230 10.488 -7.938 817 H ASP 109 HN ASP 109 -3.149 8.530 -9.288 818 HA ASP 109 HA ASP 109 -4.708 6.456 -10.426 819 HB2 ASP 109 HB2 ASP 109 -1.793 7.164 -10.532 820 HB3 ASP 109 HB1 ASP 109 -2.368 5.659 -11.238 821 H VAL 110 HN VAL 110 -2.144 6.510 -8.032 822 HA VAL 110 HA VAL 110 -1.968 3.747 -7.580 823 HB VAL 110 HB VAL 110 -1.514 5.908 -5.519 824 HG11 VAL 110 HG11 VAL 110 0.029 4.360 -4.518 825 HG12 VAL 110 HG12 VAL 110 -0.210 3.211 -5.837 826 HG13 VAL 110 HG13 VAL 110 -1.533 3.560 -4.723 827 HG21 VAL 110 HG21 VAL 110 0.397 4.864 -7.606 828 HG22 VAL 110 HG22 VAL 110 0.800 5.987 -6.307 829 HG23 VAL 110 HG23 VAL 110 -0.331 6.473 -7.576 830 H ALA 111 HN ALA 111 -3.928 6.265 -6.041 831 HA ALA 111 HA ALA 111 -5.147 4.666 -4.078 832 HB1 ALA 111 HB1 ALA 111 -6.786 6.454 -3.884 833 HB2 ALA 111 HB2 ALA 111 -6.238 7.140 -5.413 834 HB3 ALA 111 HB3 ALA 111 -5.157 7.116 -4.020 835 H LYS 112 HN LYS 112 -6.325 5.680 -7.272 836 HA LYS 112 HA LYS 112 -8.761 4.327 -7.216 837 HB2 LYS 112 HB2 LYS 112 -6.980 5.043 -9.551 838 HB3 LYS 112 HB1 LYS 112 -8.610 4.407 -9.728 839 HG2 LYS 112 HG2 LYS 112 -9.534 6.333 -8.608 840 HG3 LYS 112 HG1 LYS 112 -7.916 6.949 -8.271 841 HD2 LYS 112 HD2 LYS 112 -8.914 8.109 -10.172 842 HD3 LYS 112 HD1 LYS 112 -7.499 7.182 -10.669 843 HE2 LYS 112 HE2 LYS 112 -8.951 5.404 -11.502 844 HE3 LYS 112 HE1 LYS 112 -10.369 6.311 -10.979 845 HZ1 LYS 112 HZ1 LYS 112 -9.897 6.556 -13.359 846 HZ2 LYS 112 HZ2 LYS 112 -8.406 7.264 -12.991 847 HZ3 LYS 112 HZ3 LYS 112 -9.840 8.035 -12.543 848 H ARG 113 HN ARG 113 -5.647 3.262 -8.582 849 HA ARG 113 HA ARG 113 -6.451 0.774 -9.523 850 HB2 ARG 113 HB2 ARG 113 -3.808 1.786 -8.531 851 HB3 ARG 113 HB1 ARG 113 -3.999 0.146 -9.139 852 HG2 ARG 113 HG2 ARG 113 -4.710 2.611 -10.708 853 HG3 ARG 113 HG1 ARG 113 -3.163 1.781 -10.802 854 HD2 ARG 113 HD2 ARG 113 -4.279 -0.253 -11.542 855 HD3 ARG 113 HD1 ARG 113 -5.840 0.554 -11.422 856 HE ARG 113 HE ARG 113 -4.684 2.164 -13.128 857 HH11 ARG 113 HH11 ARG 113 -4.458 -1.325 -13.004 858 HH12 ARG 113 HH12 ARG 113 -4.270 -1.504 -14.717 859 HH21 ARG 113 HH21 ARG 113 -4.418 1.938 -15.388 860 HH22 ARG 113 HH22 ARG 113 -4.233 0.355 -16.072 861 H ALA 114 HN ALA 114 -5.348 1.712 -6.305 862 HA ALA 114 HA ALA 114 -5.277 -0.913 -5.233 863 HB1 ALA 114 HB1 ALA 114 -5.523 1.762 -3.867 864 HB2 ALA 114 HB2 ALA 114 -4.033 0.874 -4.183 865 HB3 ALA 114 HB3 ALA 114 -5.220 0.234 -3.040 866 H LEU 115 HN LEU 115 -7.703 1.690 -5.091 867 HA LEU 115 HA LEU 115 -9.514 0.243 -3.482 868 HB2 LEU 115 HB2 LEU 115 -9.884 2.642 -5.246 869 HB3 LEU 115 HB1 LEU 115 -11.141 2.002 -4.201 870 HG LEU 115 HG LEU 115 -8.464 3.071 -3.301 871 HD11 LEU 115 HD11 LEU 115 -11.251 4.159 -3.040 872 HD12 LEU 115 HD12 LEU 115 -9.927 4.844 -3.986 873 HD13 LEU 115 HD13 LEU 115 -9.831 4.808 -2.224 874 HD21 LEU 115 HD21 LEU 115 -10.770 1.958 -1.709 875 HD22 LEU 115 HD22 LEU 115 -9.377 2.795 -1.028 876 HD23 LEU 115 HD23 LEU 115 -9.158 1.259 -1.863 877 H GLU 116 HN GLU 116 -8.991 0.328 -6.930 878 HA GLU 116 HA GLU 116 -11.369 -0.811 -7.835 879 HB2 GLU 116 HB2 GLU 116 -8.542 -1.255 -8.810 880 HB3 GLU 116 HB1 GLU 116 -9.970 -1.817 -9.664 881 HG2 GLU 116 HG2 GLU 116 -9.370 1.061 -9.036 882 HG3 GLU 116 HG1 GLU 116 -9.028 0.270 -10.571 883 H MET 117 HN MET 117 -8.439 -2.398 -6.614 884 HA MET 117 HA MET 117 -9.504 -5.037 -6.852 885 HB2 MET 117 HB2 MET 117 -7.182 -4.033 -5.204 886 HB3 MET 117 HB1 MET 117 -7.547 -5.723 -5.512 887 HG2 MET 117 HG2 MET 117 -7.267 -5.240 -7.950 888 HG3 MET 117 HG1 MET 117 -6.682 -3.641 -7.497 889 HE1 MET 117 HE1 MET 117 -3.505 -4.596 -5.346 890 HE2 MET 117 HE2 MET 117 -5.136 -4.616 -4.671 891 HE3 MET 117 HE3 MET 117 -4.652 -3.322 -5.768 892 H CYS 118 HN CYS 118 -9.568 -2.568 -4.431 893 HA CYS 118 HA CYS 118 -10.180 -4.173 -2.186 894 HB2 CYS 118 HB2 CYS 118 -9.385 -1.847 -2.003 895 HB3 CYS 118 HB1 CYS 118 -10.883 -1.280 -2.728 896 HG CYS 118 HG CYS 118 -12.017 -2.968 -0.330 897 H GLY 119 HN GLY 119 -12.191 -2.444 -4.531 898 HA2 GLY 119 HA2 GLY 119 -14.229 -4.229 -4.749 899 HA3 GLY 119 HA1 GLY 119 -14.645 -3.313 -3.306 900 H GLY 120 HN GLY 120 -13.656 -2.838 -6.686 901 HA2 GLY 120 HA2 GLY 120 -15.036 -0.281 -6.755 902 HA3 GLY 120 HA1 GLY 120 -14.092 -0.995 -8.055 903 H ASP 121 HN ASP 121 -15.672 -0.635 -9.604 904 HA ASP 121 HA ASP 121 -18.338 -1.696 -9.184 905 HB2 ASP 121 HB2 ASP 121 -17.071 -0.240 -11.505 906 HB3 ASP 121 HB1 ASP 121 -18.711 -0.880 -11.559 907 H LYS 122 HN LYS 122 -18.283 -3.859 -9.138 908 HA LYS 122 HA LYS 122 -17.078 -5.251 -11.433 909 HB2 LYS 122 HB2 LYS 122 -16.256 -5.931 -9.195 910 HB3 LYS 122 HB1 LYS 122 -17.898 -6.356 -8.737 911 HG2 LYS 122 HG2 LYS 122 -16.659 -8.341 -9.305 912 HG3 LYS 122 HG1 LYS 122 -17.930 -8.069 -10.500 913 HD2 LYS 122 HD2 LYS 122 -16.282 -7.074 -12.015 914 HD3 LYS 122 HD1 LYS 122 -15.017 -7.358 -10.820 915 HE2 LYS 122 HE2 LYS 122 -15.448 -9.768 -10.955 916 HE3 LYS 122 HE1 LYS 122 -16.681 -9.469 -12.180 917 HZ1 LYS 122 HZ1 LYS 122 -14.599 -10.112 -13.192 918 HZ2 LYS 122 HZ2 LYS 122 -13.790 -8.836 -12.432 919 HZ3 LYS 122 HZ3 LYS 122 -14.968 -8.514 -13.602 920 H GLU 123 HN GLU 123 -18.831 -4.777 -12.802 921 HA GLU 123 HA GLU 123 -21.505 -5.516 -12.022 922 HB2 GLU 123 HB2 GLU 123 -20.455 -4.548 -14.683 923 HB3 GLU 123 HB1 GLU 123 -22.150 -4.697 -14.239 924 HG2 GLU 123 HG2 GLU 123 -21.797 -3.029 -12.459 925 HG3 GLU 123 HG1 GLU 123 -20.130 -2.840 -13.002 926 HA PRO 124 HA PRO 124 -21.144 -9.706 -13.556 927 HB2 PRO 124 HB2 PRO 124 -24.082 -9.636 -13.293 928 HB3 PRO 124 HB1 PRO 124 -22.915 -10.735 -12.552 929 HG2 PRO 124 HG2 PRO 124 -24.173 -8.851 -11.121 930 HG3 PRO 124 HG1 PRO 124 -22.493 -9.309 -10.788 931 HD2 PRO 124 HD2 PRO 124 -23.555 -6.912 -12.227 932 HD3 PRO 124 HD1 PRO 124 -22.195 -7.042 -11.094 933 H ALA 125 HN ALA 125 -20.619 -9.375 -15.702 934 HA ALA 125 HA ALA 125 -22.465 -8.290 -17.591 935 HB1 ALA 125 HB1 ALA 125 -20.049 -8.078 -17.904 936 HB2 ALA 125 HB2 ALA 125 -20.797 -8.911 -19.267 937 HB3 ALA 125 HB3 ALA 125 -19.910 -9.830 -18.051 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 -14.251 -3.386 6.127 2 H2 GLY 1 HT2 GLY 1 -13.599 -4.253 4.826 3 H3 GLY 1 HT3 GLY 1 -14.548 -5.044 5.986 4 HA2 GLY 1 HA1 GLY 1 -15.475 -2.990 4.063 5 HA3 GLY 1 HA2 GLY 1 -15.840 -4.707 4.002 6 H ALA 2 HN ALA 2 -17.965 -3.214 3.934 7 HA ALA 2 HA ALA 2 -19.977 -2.793 4.876 8 HB1 ALA 2 HB1 ALA 2 -19.014 -4.578 7.106 9 HB2 ALA 2 HB2 ALA 2 -19.795 -5.121 5.622 10 HB3 ALA 2 HB3 ALA 2 -20.685 -4.127 6.773 11 H MET 3 HN MET 3 -17.873 -0.943 5.341 12 HA MET 3 HA MET 3 -18.886 0.305 7.802 13 HB2 MET 3 HB2 MET 3 -15.992 0.048 6.989 14 HB3 MET 3 HB1 MET 3 -16.553 1.171 8.220 15 HG2 MET 3 HG2 MET 3 -17.414 -0.719 9.527 16 HG3 MET 3 HG1 MET 3 -16.798 -1.828 8.304 17 HE1 MET 3 HE1 MET 3 -16.129 -1.952 11.453 18 HE2 MET 3 HE2 MET 3 -14.414 -2.354 11.388 19 HE3 MET 3 HE3 MET 3 -15.543 -3.128 10.277 20 H GLY 4 HN GLY 4 -18.894 0.528 4.663 21 HA2 GLY 4 HA2 GLY 4 -19.598 2.376 3.411 22 HA3 GLY 4 HA1 GLY 4 -19.047 3.432 4.702 23 H MET 5 HN MET 5 -16.618 3.469 4.999 24 HA MET 5 HA MET 5 -15.413 3.789 2.355 25 HB2 MET 5 HB2 MET 5 -14.706 4.849 5.077 26 HB3 MET 5 HB1 MET 5 -13.592 4.959 3.722 27 HG2 MET 5 HG2 MET 5 -15.316 6.200 2.462 28 HG3 MET 5 HG1 MET 5 -16.338 6.167 3.896 29 HE1 MET 5 HE1 MET 5 -15.426 8.801 2.284 30 HE2 MET 5 HE2 MET 5 -15.126 9.895 3.634 31 HE3 MET 5 HE3 MET 5 -16.522 8.820 3.665 32 HA PRO 6 HA PRO 6 -12.889 0.139 2.866 33 HB2 PRO 6 HB2 PRO 6 -11.067 1.544 1.019 34 HB3 PRO 6 HB1 PRO 6 -11.833 -0.035 0.852 35 HG2 PRO 6 HG2 PRO 6 -12.647 2.035 -0.599 36 HG3 PRO 6 HG1 PRO 6 -13.805 0.855 0.037 37 HD2 PRO 6 HD2 PRO 6 -13.136 3.590 1.048 38 HD3 PRO 6 HD1 PRO 6 -14.720 2.809 0.895 39 H LYS 7 HN LYS 7 -11.253 -0.339 4.239 40 HA LYS 7 HA LYS 7 -9.832 1.883 5.460 41 HB2 LYS 7 HB2 LYS 7 -10.904 -0.044 6.747 42 HB3 LYS 7 HB1 LYS 7 -9.580 -1.038 6.162 43 HG2 LYS 7 HG2 LYS 7 -9.062 -0.301 8.370 44 HG3 LYS 7 HG1 LYS 7 -7.993 0.536 7.241 45 HD2 LYS 7 HD2 LYS 7 -9.339 2.529 7.370 46 HD3 LYS 7 HD1 LYS 7 -10.542 1.699 8.355 47 HE2 LYS 7 HE2 LYS 7 -8.820 1.379 10.104 48 HE3 LYS 7 HE1 LYS 7 -7.692 2.314 9.127 49 HZ1 LYS 7 HZ1 LYS 7 -10.276 3.331 10.179 50 HZ2 LYS 7 HZ2 LYS 7 -9.124 4.224 9.325 51 HZ3 LYS 7 HZ3 LYS 7 -8.764 3.638 10.865 52 H VAL 8 HN VAL 8 -8.130 2.576 4.379 53 HA VAL 8 HA VAL 8 -6.506 0.683 2.841 54 HB VAL 8 HB VAL 8 -6.509 3.707 2.773 55 HG11 VAL 8 HG11 VAL 8 -4.407 2.723 2.021 56 HG12 VAL 8 HG12 VAL 8 -5.286 3.455 0.678 57 HG13 VAL 8 HG13 VAL 8 -5.285 1.702 0.880 58 HG21 VAL 8 HG21 VAL 8 -7.829 1.762 0.878 59 HG22 VAL 8 HG22 VAL 8 -7.789 3.517 0.707 60 HG23 VAL 8 HG23 VAL 8 -8.663 2.780 2.051 61 H LEU 9 HN LEU 9 -4.422 0.277 3.333 62 HA LEU 9 HA LEU 9 -3.226 1.764 5.569 63 HB2 LEU 9 HB2 LEU 9 -3.519 -0.582 6.061 64 HB3 LEU 9 HB1 LEU 9 -2.737 -1.039 4.563 65 HG LEU 9 HG LEU 9 -0.602 -0.216 5.382 66 HD11 LEU 9 HD11 LEU 9 -2.102 0.478 7.907 67 HD12 LEU 9 HD12 LEU 9 -1.458 1.635 6.743 68 HD13 LEU 9 HD13 LEU 9 -0.359 0.608 7.663 69 HD21 LEU 9 HD21 LEU 9 -2.012 -2.003 7.356 70 HD22 LEU 9 HD22 LEU 9 -0.265 -1.810 7.216 71 HD23 LEU 9 HD23 LEU 9 -1.184 -2.512 5.885 72 H VAL 10 HN VAL 10 -1.825 3.255 4.908 73 HA VAL 10 HA VAL 10 -0.369 2.843 2.413 74 HB VAL 10 HB VAL 10 -0.778 5.281 4.136 75 HG11 VAL 10 HG11 VAL 10 1.022 5.046 1.719 76 HG12 VAL 10 HG12 VAL 10 1.560 5.293 3.381 77 HG13 VAL 10 HG13 VAL 10 0.614 6.538 2.567 78 HG21 VAL 10 HG21 VAL 10 -1.419 4.640 1.262 79 HG22 VAL 10 HG22 VAL 10 -1.776 6.164 2.084 80 HG23 VAL 10 HG23 VAL 10 -2.570 4.675 2.599 81 H LEU 11 HN LEU 11 1.515 1.988 2.426 82 HA LEU 11 HA LEU 11 3.309 2.328 4.723 83 HB2 LEU 11 HB2 LEU 11 2.904 0.212 2.762 84 HB3 LEU 11 HB1 LEU 11 4.591 0.670 2.901 85 HG LEU 11 HG LEU 11 4.149 -1.192 4.359 86 HD11 LEU 11 HD11 LEU 11 5.708 0.486 5.195 87 HD12 LEU 11 HD12 LEU 11 4.788 -0.217 6.526 88 HD13 LEU 11 HD13 LEU 11 4.383 1.393 5.923 89 HD21 LEU 11 HD21 LEU 11 1.711 -0.796 4.523 90 HD22 LEU 11 HD22 LEU 11 2.023 0.549 5.621 91 HD23 LEU 11 HD23 LEU 11 2.460 -1.091 6.087 92 H GLU 12 HN GLU 12 4.321 4.180 4.507 93 HA GLU 12 HA GLU 12 5.961 4.700 2.204 94 HB2 GLU 12 HB2 GLU 12 3.800 5.492 1.355 95 HB3 GLU 12 HB1 GLU 12 3.590 6.492 2.785 96 HG2 GLU 12 HG2 GLU 12 4.276 7.768 0.818 97 HG3 GLU 12 HG1 GLU 12 5.441 7.880 2.133 98 H ASP 13 HN ASP 13 7.768 5.453 3.049 99 HA ASP 13 HA ASP 13 7.745 6.593 5.709 100 HB2 ASP 13 HB2 ASP 13 9.477 4.946 5.034 101 HB3 ASP 13 HB1 ASP 13 10.089 6.107 3.866 102 H GLU 14 HN GLU 14 7.786 7.677 2.453 103 HA GLU 14 HA GLU 14 8.810 10.316 3.103 104 HB2 GLU 14 HB2 GLU 14 7.458 9.342 0.574 105 HB3 GLU 14 HB1 GLU 14 8.341 10.850 0.763 106 HG2 GLU 14 HG2 GLU 14 10.385 9.517 1.253 107 HG3 GLU 14 HG1 GLU 14 9.468 8.062 0.870 108 HA PRO 15 HA PRO 15 4.741 11.106 4.851 109 HB2 PRO 15 HB2 PRO 15 5.862 13.790 5.248 110 HB3 PRO 15 HB1 PRO 15 5.144 12.688 6.418 111 HG2 PRO 15 HG2 PRO 15 7.783 13.104 6.368 112 HG3 PRO 15 HG1 PRO 15 7.109 11.499 6.708 113 HD2 PRO 15 HD2 PRO 15 8.323 12.550 4.186 114 HD3 PRO 15 HD1 PRO 15 8.482 10.948 4.935 115 H LEU 16 HN LEU 16 6.349 13.238 2.553 116 HA LEU 16 HA LEU 16 4.153 14.785 1.794 117 HB2 LEU 16 HB2 LEU 16 6.561 15.117 1.152 118 HB3 LEU 16 HB1 LEU 16 6.363 13.824 -0.003 119 HG LEU 16 HG LEU 16 6.220 16.269 -0.814 120 HD11 LEU 16 HD11 LEU 16 5.740 14.372 -2.238 121 HD12 LEU 16 HD12 LEU 16 4.589 15.674 -2.532 122 HD13 LEU 16 HD13 LEU 16 4.108 14.271 -1.579 123 HD21 LEU 16 HD21 LEU 16 4.643 17.032 0.893 124 HD22 LEU 16 HD22 LEU 16 3.427 15.925 0.257 125 HD23 LEU 16 HD23 LEU 16 4.007 17.261 -0.735 126 H ILE 17 HN ILE 17 5.367 11.735 0.471 127 HA ILE 17 HA ILE 17 3.266 11.393 -1.408 128 HB ILE 17 HB ILE 17 5.193 9.394 -0.214 129 HG12 ILE 17 HG12 ILE 17 5.255 10.981 -2.775 130 HG13 ILE 17 HG11 ILE 17 6.314 11.165 -1.396 131 HG21 ILE 17 HG21 ILE 17 3.307 9.165 -2.533 132 HG22 ILE 17 HG22 ILE 17 3.393 8.146 -1.089 133 HG23 ILE 17 HG23 ILE 17 4.686 8.097 -2.289 134 HD11 ILE 17 HD11 ILE 17 6.162 8.749 -3.160 135 HD12 ILE 17 HD12 ILE 17 7.253 8.976 -1.791 136 HD13 ILE 17 HD13 ILE 17 7.405 9.999 -3.218 137 H ALA 18 HN ALA 18 3.907 10.103 1.827 138 HA ALA 18 HA ALA 18 1.744 8.377 2.064 139 HB1 ALA 18 HB1 ALA 18 2.945 10.077 4.248 140 HB2 ALA 18 HB2 ALA 18 3.598 8.541 3.679 141 HB3 ALA 18 HB3 ALA 18 2.018 8.589 4.461 142 H MET 19 HN MET 19 1.949 11.812 2.934 143 HA MET 19 HA MET 19 -0.711 12.136 3.739 144 HB2 MET 19 HB2 MET 19 1.198 13.664 4.220 145 HB3 MET 19 HB1 MET 19 1.145 14.178 2.543 146 HG2 MET 19 HG2 MET 19 -1.176 14.934 2.899 147 HG3 MET 19 HG1 MET 19 -0.991 14.531 4.603 148 HE1 MET 19 HE1 MET 19 1.540 17.750 2.468 149 HE2 MET 19 HE2 MET 19 0.318 16.773 1.657 150 HE3 MET 19 HE3 MET 19 1.792 16.018 2.260 151 H ASN 20 HN ASN 20 0.872 12.557 0.595 152 HA ASN 20 HA ASN 20 -1.340 13.667 -0.736 153 HB2 ASN 20 HB2 ASN 20 1.276 12.508 -1.477 154 HB3 ASN 20 HB1 ASN 20 0.053 12.498 -2.725 155 HD21 ASN 20 HD21 ASN 20 2.506 13.959 -2.668 156 HD22 ASN 20 HD22 ASN 20 2.099 15.639 -2.749 157 H LEU 21 HN LEU 21 -0.122 10.322 -0.565 158 HA LEU 21 HA LEU 21 -2.157 9.109 -2.045 159 HB2 LEU 21 HB2 LEU 21 -0.388 8.160 0.184 160 HB3 LEU 21 HB1 LEU 21 -1.588 7.110 -0.527 161 HG LEU 21 HG LEU 21 0.572 8.456 -2.131 162 HD11 LEU 21 HD11 LEU 21 1.756 6.341 -2.084 163 HD12 LEU 21 HD12 LEU 21 0.539 5.662 -1.002 164 HD13 LEU 21 HD13 LEU 21 1.573 6.982 -0.452 165 HD21 LEU 21 HD21 LEU 21 -1.414 7.751 -3.358 166 HD22 LEU 21 HD22 LEU 21 -1.248 6.127 -2.696 167 HD23 LEU 21 HD23 LEU 21 -0.015 6.765 -3.781 168 H GLN 22 HN GLN 22 -1.880 9.762 1.417 169 HA GLN 22 HA GLN 22 -4.224 8.626 2.316 170 HB2 GLN 22 HB2 GLN 22 -2.434 9.641 3.723 171 HB3 GLN 22 HB1 GLN 22 -3.019 11.232 3.257 172 HG2 GLN 22 HG2 GLN 22 -5.161 10.755 4.315 173 HG3 GLN 22 HG1 GLN 22 -4.577 9.160 4.765 174 HE21 GLN 22 HE21 GLN 22 -4.853 9.531 6.936 175 HE22 GLN 22 HE22 GLN 22 -3.820 10.586 7.841 176 H TYR 23 HN TYR 23 -3.729 11.916 1.060 177 HA TYR 23 HA TYR 23 -6.456 12.648 1.276 178 HB2 TYR 23 HB2 TYR 23 -4.141 13.808 -0.254 179 HB3 TYR 23 HB1 TYR 23 -5.753 14.500 -0.326 180 HD1 TYR 23 HD2 TYR 23 -6.522 14.023 2.573 181 HD2 TYR 23 HD1 TYR 23 -2.983 15.586 0.802 182 HE1 TYR 23 HE2 TYR 23 -6.060 15.297 4.624 183 HE2 TYR 23 HE1 TYR 23 -2.515 16.862 2.846 184 HH TYR 23 HH TYR 23 -3.783 17.786 4.763 185 H ALA 24 HN ALA 24 -4.593 11.089 -1.249 186 HA ALA 24 HA ALA 24 -6.486 11.475 -3.332 187 HB1 ALA 24 HB1 ALA 24 -5.266 9.797 -4.560 188 HB2 ALA 24 HB2 ALA 24 -4.463 9.250 -3.087 189 HB3 ALA 24 HB3 ALA 24 -4.120 10.852 -3.733 190 H PHE 25 HN PHE 25 -5.905 8.843 -1.037 191 HA PHE 25 HA PHE 25 -7.998 7.186 -1.977 192 HB2 PHE 25 HB2 PHE 25 -6.420 7.303 0.573 193 HB3 PHE 25 HB1 PHE 25 -7.778 6.200 0.411 194 HD1 PHE 25 HD2 PHE 25 -7.700 4.387 -1.282 195 HD2 PHE 25 HD1 PHE 25 -4.359 6.897 -0.488 196 HE1 PHE 25 HE2 PHE 25 -6.220 2.771 -2.406 197 HE2 PHE 25 HE1 PHE 25 -2.879 5.293 -1.612 198 HZ PHE 25 HZ PHE 25 -3.854 3.168 -2.548 199 H GLU 26 HN GLU 26 -7.825 9.564 0.670 200 HA GLU 26 HA GLU 26 -10.482 9.230 1.536 201 HB2 GLU 26 HB2 GLU 26 -8.650 11.622 1.705 202 HB3 GLU 26 HB1 GLU 26 -10.227 11.547 2.482 203 HG2 GLU 26 HG2 GLU 26 -9.334 9.403 3.589 204 HG3 GLU 26 HG1 GLU 26 -7.747 9.992 3.092 205 H ASP 27 HN ASP 27 -9.071 11.116 -1.055 206 HA ASP 27 HA ASP 27 -11.323 12.672 -1.715 207 HB2 ASP 27 HB2 ASP 27 -8.956 12.975 -2.562 208 HB3 ASP 27 HB1 ASP 27 -9.272 11.643 -3.660 209 H GLU 28 HN GLU 28 -10.352 9.408 -2.546 210 HA GLU 28 HA GLU 28 -12.508 9.030 -4.429 211 HB2 GLU 28 HB2 GLU 28 -10.600 7.052 -3.173 212 HB3 GLU 28 HB1 GLU 28 -11.750 6.665 -4.442 213 HG2 GLU 28 HG2 GLU 28 -9.436 8.574 -4.655 214 HG3 GLU 28 HG1 GLU 28 -9.524 6.954 -5.343 215 H GLY 29 HN GLY 29 -12.477 9.313 -1.186 216 HA2 GLY 29 HA2 GLY 29 -14.269 8.994 0.267 217 HA3 GLY 29 HA1 GLY 29 -15.016 7.938 -0.925 218 H ALA 30 HN ALA 30 -11.862 7.834 0.725 219 HA ALA 30 HA ALA 30 -12.676 5.294 1.947 220 HB1 ALA 30 HB1 ALA 30 -10.049 5.761 0.537 221 HB2 ALA 30 HB2 ALA 30 -11.380 4.771 -0.063 222 HB3 ALA 30 HB3 ALA 30 -10.518 4.296 1.400 223 H GLU 31 HN GLU 31 -11.102 4.612 3.671 224 HA GLU 31 HA GLU 31 -10.158 6.976 5.154 225 HB2 GLU 31 HB2 GLU 31 -11.944 5.600 6.233 226 HB3 GLU 31 HB1 GLU 31 -10.839 4.233 6.229 227 HG2 GLU 31 HG2 GLU 31 -10.935 5.356 8.400 228 HG3 GLU 31 HG1 GLU 31 -9.322 5.399 7.693 229 H VAL 32 HN VAL 32 -8.064 6.879 6.130 230 HA VAL 32 HA VAL 32 -6.330 4.845 4.882 231 HB VAL 32 HB VAL 32 -5.687 7.781 5.066 232 HG11 VAL 32 HG11 VAL 32 -3.745 6.265 5.106 233 HG12 VAL 32 HG12 VAL 32 -3.795 7.267 3.655 234 HG13 VAL 32 HG13 VAL 32 -4.280 5.573 3.576 235 HG21 VAL 32 HG21 VAL 32 -7.516 7.365 3.476 236 HG22 VAL 32 HG22 VAL 32 -6.490 6.207 2.625 237 HG23 VAL 32 HG23 VAL 32 -6.044 7.913 2.676 238 H VAL 33 HN VAL 33 -4.737 4.045 6.107 239 HA VAL 33 HA VAL 33 -4.057 5.397 8.636 240 HB VAL 33 HB VAL 33 -3.339 2.573 7.909 241 HG11 VAL 33 HG11 VAL 33 -3.041 2.331 10.333 242 HG12 VAL 33 HG12 VAL 33 -3.450 4.032 10.536 243 HG13 VAL 33 HG13 VAL 33 -1.997 3.575 9.649 244 HG21 VAL 33 HG21 VAL 33 -5.768 2.715 7.893 245 HG22 VAL 33 HG22 VAL 33 -5.743 3.469 9.487 246 HG23 VAL 33 HG23 VAL 33 -5.201 1.801 9.291 247 H VAL 34 HN VAL 34 -1.953 6.091 8.902 248 HA VAL 34 HA VAL 34 -0.188 5.684 6.586 249 HB VAL 34 HB VAL 34 -0.027 7.811 8.728 250 HG11 VAL 34 HG11 VAL 34 1.661 8.837 7.249 251 HG12 VAL 34 HG12 VAL 34 1.581 7.415 6.207 252 HG13 VAL 34 HG13 VAL 34 2.169 7.262 7.862 253 HG21 VAL 34 HG21 VAL 34 -0.923 7.982 5.852 254 HG22 VAL 34 HG22 VAL 34 -0.707 9.354 6.938 255 HG23 VAL 34 HG23 VAL 34 -1.948 8.149 7.278 256 H ALA 35 HN ALA 35 1.492 4.384 6.793 257 HA ALA 35 HA ALA 35 2.823 4.164 9.393 258 HB1 ALA 35 HB1 ALA 35 1.279 2.230 9.131 259 HB2 ALA 35 HB2 ALA 35 2.977 1.775 9.268 260 HB3 ALA 35 HB3 ALA 35 2.183 1.756 7.691 261 H ALA 36 HN ALA 36 5.008 4.060 9.264 262 HA ALA 36 HA ALA 36 6.156 4.175 6.556 263 HB1 ALA 36 HB1 ALA 36 7.299 5.209 9.146 264 HB2 ALA 36 HB2 ALA 36 6.464 6.184 7.932 265 HB3 ALA 36 HB3 ALA 36 8.002 5.413 7.537 266 H THR 37 HN THR 37 5.799 2.079 9.086 267 HA THR 37 HA THR 37 8.271 0.657 8.388 268 HB THR 37 HB THR 37 8.533 -0.037 10.748 269 HG1 THR 37 HG1 THR 37 7.323 1.457 12.262 270 HG21 THR 37 HG21 THR 37 8.515 2.952 10.348 271 HG22 THR 37 HG22 THR 37 9.832 1.856 9.929 272 HG23 THR 37 HG23 THR 37 9.381 2.089 11.617 273 H CYS 38 HN CYS 38 8.208 -1.649 8.990 274 HA CYS 38 HA CYS 38 5.850 -3.003 8.353 275 HB2 CYS 38 HB2 CYS 38 6.973 -4.976 9.391 276 HB3 CYS 38 HB1 CYS 38 7.992 -4.106 8.264 277 HG CYS 38 HG CYS 38 9.903 -4.465 9.992 278 H GLU 39 HN GLU 39 7.350 -2.307 11.434 279 HA GLU 39 HA GLU 39 5.597 -3.424 13.215 280 HB2 GLU 39 HB2 GLU 39 7.006 -0.782 13.501 281 HB3 GLU 39 HB1 GLU 39 6.324 -1.709 14.823 282 HG2 GLU 39 HG2 GLU 39 7.889 -3.524 14.353 283 HG3 GLU 39 HG1 GLU 39 8.577 -2.576 13.035 284 H GLN 40 HN GLN 40 5.410 -0.038 12.060 285 HA GLN 40 HA GLN 40 3.017 0.636 13.286 286 HB2 GLN 40 HB2 GLN 40 4.342 1.538 10.751 287 HB3 GLN 40 HB1 GLN 40 2.800 2.202 11.242 288 HG2 GLN 40 HG2 GLN 40 3.794 2.991 13.309 289 HG3 GLN 40 HG1 GLN 40 5.341 2.307 12.822 290 HE21 GLN 40 HE21 GLN 40 6.580 3.352 11.321 291 HE22 GLN 40 HE22 GLN 40 6.228 4.958 10.770 292 H ALA 41 HN ALA 41 3.587 -0.812 10.137 293 HA ALA 41 HA ALA 41 0.931 -0.815 9.243 294 HB1 ALA 41 HB1 ALA 41 3.012 -1.141 7.891 295 HB2 ALA 41 HB2 ALA 41 1.682 -2.241 7.523 296 HB3 ALA 41 HB3 ALA 41 3.046 -2.800 8.490 297 H LEU 42 HN LEU 42 2.851 -3.318 10.880 298 HA LEU 42 HA LEU 42 0.845 -5.302 10.799 299 HB2 LEU 42 HB2 LEU 42 3.139 -4.988 12.735 300 HB3 LEU 42 HB1 LEU 42 2.222 -6.452 12.451 301 HG LEU 42 HG LEU 42 3.975 -5.072 10.423 302 HD11 LEU 42 HD11 LEU 42 4.401 -7.645 11.925 303 HD12 LEU 42 HD12 LEU 42 5.240 -6.123 12.228 304 HD13 LEU 42 HD13 LEU 42 5.463 -6.961 10.692 305 HD21 LEU 42 HD21 LEU 42 3.600 -7.092 9.073 306 HD22 LEU 42 HD22 LEU 42 2.116 -6.187 9.354 307 HD23 LEU 42 HD23 LEU 42 2.434 -7.661 10.267 308 H LYS 43 HN LYS 43 1.576 -2.696 13.007 309 HA LYS 43 HA LYS 43 -0.203 -3.477 15.071 310 HB2 LYS 43 HB2 LYS 43 1.629 -1.750 15.243 311 HB3 LYS 43 HB1 LYS 43 0.610 -0.665 14.314 312 HG2 LYS 43 HG2 LYS 43 -0.337 -1.880 16.889 313 HG3 LYS 43 HG1 LYS 43 0.642 -0.415 16.861 314 HD2 LYS 43 HD2 LYS 43 -1.046 0.662 15.432 315 HD3 LYS 43 HD1 LYS 43 -2.029 -0.801 15.507 316 HE2 LYS 43 HE2 LYS 43 -1.206 0.854 17.888 317 HE3 LYS 43 HE1 LYS 43 -2.766 0.961 17.079 318 HZ1 LYS 43 HZ1 LYS 43 -1.699 -1.493 18.371 319 HZ2 LYS 43 HZ2 LYS 43 -3.235 -1.304 17.688 320 HZ3 LYS 43 HZ3 LYS 43 -2.816 -0.438 19.077 321 H SER 44 HN SER 44 -0.574 -1.112 12.421 322 HA SER 44 HA SER 44 -3.275 -0.582 12.866 323 HB2 SER 44 HB2 SER 44 -1.778 -0.468 10.246 324 HB3 SER 44 HB1 SER 44 -3.207 0.441 10.698 325 HG SER 44 HG SER 44 -1.957 1.450 12.337 326 H LEU 45 HN LEU 45 -1.667 -3.127 11.095 327 HA LEU 45 HA LEU 45 -3.823 -4.122 9.600 328 HB2 LEU 45 HB2 LEU 45 -1.214 -4.712 9.773 329 HB3 LEU 45 HB1 LEU 45 -1.838 -6.010 10.767 330 HG LEU 45 HG LEU 45 -1.474 -6.718 8.455 331 HD11 LEU 45 HD11 LEU 45 -3.646 -7.725 8.029 332 HD12 LEU 45 HD12 LEU 45 -4.392 -6.616 9.181 333 HD13 LEU 45 HD13 LEU 45 -3.226 -7.815 9.739 334 HD21 LEU 45 HD21 LEU 45 -2.787 -5.839 6.637 335 HD22 LEU 45 HD22 LEU 45 -1.872 -4.538 7.398 336 HD23 LEU 45 HD23 LEU 45 -3.595 -4.715 7.725 337 H ALA 46 HN ALA 46 -2.724 -4.808 12.910 338 HA ALA 46 HA ALA 46 -4.828 -6.766 13.310 339 HB1 ALA 46 HB1 ALA 46 -3.870 -7.053 15.520 340 HB2 ALA 46 HB2 ALA 46 -2.836 -5.647 15.273 341 HB3 ALA 46 HB3 ALA 46 -2.603 -7.095 14.293 342 H ASP 47 HN ASP 47 -4.164 -3.438 14.104 343 HA ASP 47 HA ASP 47 -6.205 -3.172 16.090 344 HB2 ASP 47 HB2 ASP 47 -4.100 -1.736 15.794 345 HB3 ASP 47 HB1 ASP 47 -4.975 -0.922 14.503 346 H ASN 48 HN ASN 48 -6.017 -2.683 12.627 347 HA ASN 48 HA ASN 48 -8.819 -1.763 12.618 348 HB2 ASN 48 HB2 ASN 48 -6.624 -1.018 10.680 349 HB3 ASN 48 HB1 ASN 48 -8.287 -0.486 10.584 350 HD21 ASN 48 HD21 ASN 48 -5.277 -0.139 12.179 351 HD22 ASN 48 HD22 ASN 48 -5.657 1.300 13.060 352 HA PRO 49 HA PRO 49 -9.352 -5.004 9.581 353 HB2 PRO 49 HB2 PRO 49 -11.758 -4.144 8.579 354 HB3 PRO 49 HB1 PRO 49 -11.564 -4.976 10.121 355 HG2 PRO 49 HG2 PRO 49 -12.370 -2.257 9.669 356 HG3 PRO 49 HG1 PRO 49 -12.182 -3.093 11.216 357 HD2 PRO 49 HD2 PRO 49 -10.321 -1.267 9.819 358 HD3 PRO 49 HD1 PRO 49 -10.438 -1.645 11.547 359 H ILE 50 HN ILE 50 -7.590 -4.303 8.215 360 HA ILE 50 HA ILE 50 -7.822 -2.245 6.300 361 HB ILE 50 HB ILE 50 -5.914 -4.580 6.449 362 HG12 ILE 50 HG12 ILE 50 -5.759 -3.094 8.363 363 HG13 ILE 50 HG11 ILE 50 -4.347 -2.894 7.338 364 HG21 ILE 50 HG21 ILE 50 -6.062 -3.670 4.179 365 HG22 ILE 50 HG22 ILE 50 -4.495 -3.362 4.926 366 HG23 ILE 50 HG23 ILE 50 -5.687 -2.069 4.814 367 HD11 ILE 50 HD11 ILE 50 -6.700 -1.048 7.598 368 HD12 ILE 50 HD12 ILE 50 -5.471 -0.892 6.345 369 HD13 ILE 50 HD13 ILE 50 -5.022 -0.740 8.047 370 H ASP 51 HN ASP 51 -8.729 -2.214 4.364 371 HA ASP 51 HA ASP 51 -9.755 -4.713 3.228 372 HB2 ASP 51 HB2 ASP 51 -10.417 -1.821 2.676 373 HB3 ASP 51 HB1 ASP 51 -11.034 -3.151 1.708 374 H VAL 52 HN VAL 52 -7.489 -2.150 2.676 375 HA VAL 52 HA VAL 52 -6.257 -3.566 0.513 376 HB VAL 52 HB VAL 52 -8.121 -2.453 -0.683 377 HG11 VAL 52 HG11 VAL 52 -8.125 -0.020 -0.929 378 HG12 VAL 52 HG12 VAL 52 -6.828 0.098 0.256 379 HG13 VAL 52 HG13 VAL 52 -8.412 -0.513 0.738 380 HG21 VAL 52 HG21 VAL 52 -6.061 -2.881 -1.880 381 HG22 VAL 52 HG22 VAL 52 -5.398 -1.345 -1.323 382 HG23 VAL 52 HG23 VAL 52 -6.778 -1.361 -2.420 383 H ALA 53 HN ALA 53 -4.223 -2.494 -0.146 384 HA ALA 53 HA ALA 53 -3.350 -0.373 1.662 385 HB1 ALA 53 HB1 ALA 53 -2.900 -2.512 2.802 386 HB2 ALA 53 HB2 ALA 53 -1.433 -1.604 2.437 387 HB3 ALA 53 HB3 ALA 53 -1.881 -2.993 1.444 388 H VAL 54 HN VAL 54 -1.186 0.419 1.165 389 HA VAL 54 HA VAL 54 -0.260 -0.084 -1.574 390 HB VAL 54 HB VAL 54 0.238 2.625 -1.147 391 HG11 VAL 54 HG11 VAL 54 -1.509 2.872 -2.960 392 HG12 VAL 54 HG12 VAL 54 -1.756 1.126 -2.814 393 HG13 VAL 54 HG13 VAL 54 -0.173 1.764 -3.291 394 HG21 VAL 54 HG21 VAL 54 -2.641 2.025 -0.480 395 HG22 VAL 54 HG22 VAL 54 -1.932 3.621 -0.714 396 HG23 VAL 54 HG23 VAL 54 -1.433 2.628 0.654 397 H LEU 55 HN LEU 55 1.805 -0.691 -1.408 398 HA LEU 55 HA LEU 55 3.241 0.116 1.026 399 HB2 LEU 55 HB2 LEU 55 3.017 -2.503 -0.395 400 HB3 LEU 55 HB1 LEU 55 4.431 -2.163 0.575 401 HG LEU 55 HG LEU 55 3.039 -1.954 2.577 402 HD11 LEU 55 HD11 LEU 55 0.992 -1.095 1.615 403 HD12 LEU 55 HD12 LEU 55 0.671 -2.583 2.513 404 HD13 LEU 55 HD13 LEU 55 0.739 -2.612 0.751 405 HD21 LEU 55 HD21 LEU 55 3.891 -4.133 2.111 406 HD22 LEU 55 HD22 LEU 55 2.598 -4.451 0.958 407 HD23 LEU 55 HD23 LEU 55 2.231 -4.307 2.680 408 H ASP 56 HN ASP 56 4.949 1.419 0.612 409 HA ASP 56 HA ASP 56 6.422 1.123 -1.868 410 HB2 ASP 56 HB2 ASP 56 6.243 3.370 -0.835 411 HB3 ASP 56 HB1 ASP 56 7.140 2.784 0.563 412 H VAL 57 HN VAL 57 8.212 0.025 -2.152 413 HA VAL 57 HA VAL 57 8.817 -1.963 -0.144 414 HB VAL 57 HB VAL 57 9.917 -1.783 -2.951 415 HG11 VAL 57 HG11 VAL 57 11.067 -3.314 -1.454 416 HG12 VAL 57 HG12 VAL 57 10.194 -4.181 -2.717 417 HG13 VAL 57 HG13 VAL 57 9.536 -4.105 -1.083 418 HG21 VAL 57 HG21 VAL 57 7.417 -3.193 -2.032 419 HG22 VAL 57 HG22 VAL 57 8.116 -3.253 -3.649 420 HG23 VAL 57 HG23 VAL 57 7.468 -1.736 -3.025 421 H ASN 58 HN ASN 58 9.990 1.024 -1.067 422 HA ASN 58 HA ASN 58 12.564 0.388 0.233 423 HB2 ASN 58 HB2 ASN 58 12.792 1.066 -2.184 424 HB3 ASN 58 HB1 ASN 58 12.137 2.636 -1.744 425 HD21 ASN 58 HD21 ASN 58 14.679 2.175 -2.894 426 HD22 ASN 58 HD22 ASN 58 15.876 2.686 -1.747 427 H LEU 59 HN LEU 59 11.201 0.750 2.157 428 HA LEU 59 HA LEU 59 10.339 3.400 2.801 429 HB2 LEU 59 HB2 LEU 59 10.942 1.072 4.632 430 HB3 LEU 59 HB1 LEU 59 10.058 2.520 5.071 431 HG LEU 59 HG LEU 59 9.131 0.526 3.000 432 HD11 LEU 59 HD11 LEU 59 7.554 -0.247 4.665 433 HD12 LEU 59 HD12 LEU 59 8.202 0.890 5.847 434 HD13 LEU 59 HD13 LEU 59 9.201 -0.442 5.265 435 HD21 LEU 59 HD21 LEU 59 7.735 2.850 4.325 436 HD22 LEU 59 HD22 LEU 59 6.990 1.701 3.214 437 HD23 LEU 59 HD23 LEU 59 8.267 2.775 2.646 438 H GLY 60 HN GLY 60 13.273 1.631 2.931 439 HA2 GLY 60 HA2 GLY 60 14.833 3.940 3.431 440 HA3 GLY 60 HA1 GLY 60 14.744 2.942 4.879 441 HA PRO 61 HA PRO 61 18.337 1.617 2.070 442 HB2 PRO 61 HB2 PRO 61 19.382 1.356 4.835 443 HB3 PRO 61 HB1 PRO 61 20.226 1.873 3.376 444 HG2 PRO 61 HG2 PRO 61 19.487 3.674 5.134 445 HG3 PRO 61 HG1 PRO 61 19.191 3.978 3.409 446 HD2 PRO 61 HD2 PRO 61 17.274 3.078 5.527 447 HD3 PRO 61 HD1 PRO 61 17.047 4.260 4.231 448 H LYS 62 HN LYS 62 17.114 0.286 5.132 449 HA LYS 62 HA LYS 62 17.424 -2.388 3.957 450 HB2 LYS 62 HB2 LYS 62 17.555 -1.552 6.822 451 HB3 LYS 62 HB1 LYS 62 17.471 -3.227 6.305 452 HG2 LYS 62 HG2 LYS 62 19.553 -2.983 5.096 453 HG3 LYS 62 HG1 LYS 62 19.628 -1.283 5.545 454 HD2 LYS 62 HD2 LYS 62 19.665 -3.612 7.463 455 HD3 LYS 62 HD1 LYS 62 21.076 -2.688 6.957 456 HE2 LYS 62 HE2 LYS 62 18.693 -1.514 8.380 457 HE3 LYS 62 HE1 LYS 62 20.167 -2.039 9.185 458 HZ1 LYS 62 HZ1 LYS 62 21.400 -0.420 7.855 459 HZ2 LYS 62 HZ2 LYS 62 20.217 0.321 8.801 460 HZ3 LYS 62 HZ3 LYS 62 19.960 0.109 7.146 461 H SER 63 HN SER 63 15.334 -0.218 5.737 462 HA SER 63 HA SER 63 13.294 -2.091 6.292 463 HB2 SER 63 HB2 SER 63 11.911 0.033 6.624 464 HB3 SER 63 HB1 SER 63 13.335 -0.160 7.645 465 HG SER 63 HG SER 63 13.287 1.312 5.218 466 H HIS 64 HN HIS 64 11.737 -2.865 5.080 467 HA HIS 64 HA HIS 64 10.790 -1.383 2.757 468 HB2 HIS 64 HB2 HIS 64 10.932 -3.354 1.286 469 HB3 HIS 64 HB1 HIS 64 12.522 -2.822 1.811 470 HD1 HIS 64 HD1 HIS 64 10.047 -5.247 3.410 471 HD2 HIS 64 HD2 HIS 64 13.974 -5.063 2.085 472 HE1 HIS 64 HE1 HIS 64 11.034 -7.473 3.968 473 HE2 HIS 64 HE2 HIS 64 13.467 -7.283 3.327 474 H CYS 65 HN CYS 65 8.682 -2.076 2.041 475 HA CYS 65 HA CYS 65 7.017 -3.177 4.052 476 HB2 CYS 65 HB2 CYS 65 5.271 -2.990 2.394 477 HB3 CYS 65 HB1 CYS 65 6.294 -1.563 2.313 478 HG CYS 65 HG CYS 65 6.876 -4.161 0.232 479 H GLY 66 HN GLY 66 8.035 -5.205 4.553 480 HA2 GLY 66 HA2 GLY 66 7.622 -7.273 2.480 481 HA3 GLY 66 HA1 GLY 66 8.894 -7.345 3.688 482 HA PRO 67 HA PRO 67 6.289 -9.395 6.662 483 HB2 PRO 67 HB2 PRO 67 6.279 -7.061 8.471 484 HB3 PRO 67 HB1 PRO 67 6.812 -8.711 8.770 485 HG2 PRO 67 HG2 PRO 67 8.546 -6.681 8.476 486 HG3 PRO 67 HG1 PRO 67 8.915 -8.336 7.965 487 HD2 PRO 67 HD2 PRO 67 8.221 -5.962 6.330 488 HD3 PRO 67 HD1 PRO 67 9.246 -7.353 5.944 489 H VAL 68 HN VAL 68 5.547 -6.098 5.824 490 HA VAL 68 HA VAL 68 2.840 -6.064 6.689 491 HB VAL 68 HB VAL 68 3.985 -4.455 4.412 492 HG11 VAL 68 HG11 VAL 68 2.313 -2.815 5.082 493 HG12 VAL 68 HG12 VAL 68 1.770 -3.885 6.374 494 HG13 VAL 68 HG13 VAL 68 1.568 -4.365 4.691 495 HG21 VAL 68 HG21 VAL 68 4.547 -2.739 6.118 496 HG22 VAL 68 HG22 VAL 68 5.519 -4.203 6.245 497 HG23 VAL 68 HG23 VAL 68 4.194 -3.926 7.374 498 H ALA 69 HN ALA 69 4.432 -6.658 3.605 499 HA ALA 69 HA ALA 69 2.166 -7.055 2.018 500 HB1 ALA 69 HB1 ALA 69 4.409 -6.727 1.108 501 HB2 ALA 69 HB2 ALA 69 3.695 -8.221 0.495 502 HB3 ALA 69 HB3 ALA 69 4.913 -8.282 1.771 503 H ASP 70 HN ASP 70 4.100 -9.270 3.959 504 HA ASP 70 HA ASP 70 2.646 -11.606 3.268 505 HB2 ASP 70 HB2 ASP 70 4.919 -11.699 4.227 506 HB3 ASP 70 HB1 ASP 70 4.315 -11.015 5.734 507 H ALA 71 HN ALA 71 2.449 -9.302 5.954 508 HA ALA 71 HA ALA 71 0.431 -10.463 7.469 509 HB1 ALA 71 HB1 ALA 71 -0.002 -8.259 8.336 510 HB2 ALA 71 HB2 ALA 71 0.787 -7.517 6.943 511 HB3 ALA 71 HB3 ALA 71 1.736 -8.453 8.099 512 H LEU 72 HN LEU 72 0.194 -8.260 4.716 513 HA LEU 72 HA LEU 72 -2.616 -8.209 4.562 514 HB2 LEU 72 HB2 LEU 72 -0.466 -7.714 2.514 515 HB3 LEU 72 HB1 LEU 72 -2.167 -7.441 2.207 516 HG LEU 72 HG LEU 72 -0.636 -6.075 4.418 517 HD11 LEU 72 HD11 LEU 72 -1.384 -5.042 1.703 518 HD12 LEU 72 HD12 LEU 72 0.246 -5.453 2.249 519 HD13 LEU 72 HD13 LEU 72 -0.630 -4.122 3.012 520 HD21 LEU 72 HD21 LEU 72 -3.325 -5.513 3.176 521 HD22 LEU 72 HD22 LEU 72 -2.572 -4.618 4.500 522 HD23 LEU 72 HD23 LEU 72 -3.070 -6.294 4.734 523 H LYS 73 HN LYS 73 -0.183 -10.157 2.876 524 HA LYS 73 HA LYS 73 -1.887 -11.691 1.317 525 HB2 LYS 73 HB2 LYS 73 0.875 -11.892 2.320 526 HB3 LYS 73 HB1 LYS 73 0.147 -13.385 1.767 527 HG2 LYS 73 HG2 LYS 73 0.281 -10.854 0.160 528 HG3 LYS 73 HG1 LYS 73 1.413 -12.186 0.018 529 HD2 LYS 73 HD2 LYS 73 -0.470 -13.689 -0.555 530 HD3 LYS 73 HD1 LYS 73 -1.553 -12.302 -0.506 531 HE2 LYS 73 HE2 LYS 73 0.818 -12.572 -2.348 532 HE3 LYS 73 HE1 LYS 73 -0.847 -12.935 -2.796 533 HZ1 LYS 73 HZ1 LYS 73 -0.169 -10.725 -3.510 534 HZ2 LYS 73 HZ2 LYS 73 0.150 -10.286 -1.908 535 HZ3 LYS 73 HZ3 LYS 73 -1.432 -10.638 -2.384 536 H GLN 74 HN GLN 74 -1.094 -11.949 4.707 537 HA GLN 74 HA GLN 74 -1.961 -14.591 5.146 538 HB2 GLN 74 HB2 GLN 74 -1.817 -12.196 6.970 539 HB3 GLN 74 HB1 GLN 74 -2.325 -13.783 7.531 540 HG2 GLN 74 HG2 GLN 74 -0.154 -14.696 6.818 541 HG3 GLN 74 HG1 GLN 74 0.343 -13.078 6.330 542 HE21 GLN 74 HE21 GLN 74 2.037 -12.980 7.760 543 HE22 GLN 74 HE22 GLN 74 1.806 -12.835 9.473 544 H ARG 75 HN ARG 75 -3.696 -11.503 5.417 545 HA ARG 75 HA ARG 75 -6.192 -12.917 5.899 546 HB2 ARG 75 HB2 ARG 75 -5.576 -9.968 5.745 547 HB3 ARG 75 HB1 ARG 75 -7.152 -10.640 6.129 548 HG2 ARG 75 HG2 ARG 75 -6.134 -11.730 8.113 549 HG3 ARG 75 HG1 ARG 75 -4.631 -10.879 7.748 550 HD2 ARG 75 HD2 ARG 75 -5.765 -8.741 7.943 551 HD3 ARG 75 HD1 ARG 75 -7.297 -9.558 8.237 552 HE ARG 75 HE ARG 75 -5.404 -10.369 10.164 553 HH11 ARG 75 HH11 ARG 75 -7.342 -7.618 9.225 554 HH12 ARG 75 HH12 ARG 75 -7.443 -6.976 10.830 555 HH21 ARG 75 HH21 ARG 75 -5.555 -9.527 12.306 556 HH22 ARG 75 HH22 ARG 75 -6.440 -8.059 12.579 557 H ALA 76 HN ALA 76 -4.519 -12.481 3.252 558 HA ALA 76 HA ALA 76 -4.906 -12.317 1.028 559 HB1 ALA 76 HB1 ALA 76 -7.063 -13.076 0.183 560 HB2 ALA 76 HB2 ALA 76 -7.756 -12.937 1.799 561 HB3 ALA 76 HB3 ALA 76 -6.492 -14.125 1.481 562 H ILE 77 HN ILE 77 -4.799 -9.899 2.381 563 HA ILE 77 HA ILE 77 -6.940 -8.225 1.362 564 HB ILE 77 HB ILE 77 -4.409 -7.506 2.850 565 HG12 ILE 77 HG12 ILE 77 -7.233 -7.583 3.910 566 HG13 ILE 77 HG11 ILE 77 -6.128 -8.946 4.048 567 HG21 ILE 77 HG21 ILE 77 -6.835 -5.856 2.159 568 HG22 ILE 77 HG22 ILE 77 -5.190 -5.628 1.561 569 HG23 ILE 77 HG23 ILE 77 -5.555 -5.354 3.264 570 HD11 ILE 77 HD11 ILE 77 -6.180 -7.641 6.089 571 HD12 ILE 77 HD12 ILE 77 -5.695 -6.199 5.196 572 HD13 ILE 77 HD13 ILE 77 -4.590 -7.565 5.335 573 HA PRO 78 HA PRO 78 -4.651 -7.367 -2.353 574 HB2 PRO 78 HB2 PRO 78 -6.298 -5.374 -3.251 575 HB3 PRO 78 HB1 PRO 78 -6.566 -7.096 -3.504 576 HG2 PRO 78 HG2 PRO 78 -7.932 -5.232 -1.707 577 HG3 PRO 78 HG1 PRO 78 -8.478 -6.791 -2.332 578 HD2 PRO 78 HD2 PRO 78 -7.504 -6.228 0.256 579 HD3 PRO 78 HD1 PRO 78 -7.860 -7.820 -0.424 580 H PHE 79 HN PHE 79 -3.081 -5.978 -2.891 581 HA PHE 79 HA PHE 79 -3.079 -3.256 -1.956 582 HB2 PHE 79 HB2 PHE 79 -0.955 -3.426 -0.723 583 HB3 PHE 79 HB1 PHE 79 -2.265 -4.296 0.048 584 HD1 PHE 79 HD2 PHE 79 -2.370 -6.795 -0.242 585 HD2 PHE 79 HD1 PHE 79 1.045 -4.496 -1.277 586 HE1 PHE 79 HE2 PHE 79 -0.989 -8.826 -0.178 587 HE2 PHE 79 HE1 PHE 79 2.442 -6.523 -1.215 588 HZ PHE 79 HZ PHE 79 1.467 -8.661 -0.609 589 H ILE 80 HN ILE 80 -1.213 -2.076 -2.703 590 HA ILE 80 HA ILE 80 -0.003 -3.316 -5.093 591 HB ILE 80 HB ILE 80 -0.957 -0.466 -4.819 592 HG12 ILE 80 HG12 ILE 80 -1.952 -2.807 -6.440 593 HG13 ILE 80 HG11 ILE 80 -2.819 -1.922 -5.190 594 HG21 ILE 80 HG21 ILE 80 -0.280 -0.199 -7.157 595 HG22 ILE 80 HG22 ILE 80 0.406 -1.825 -7.138 596 HG23 ILE 80 HG23 ILE 80 1.094 -0.564 -6.114 597 HD11 ILE 80 HD11 ILE 80 -3.622 -1.332 -7.388 598 HD12 ILE 80 HD12 ILE 80 -1.997 -0.846 -7.871 599 HD13 ILE 80 HD13 ILE 80 -2.850 0.053 -6.616 600 H LEU 81 HN LEU 81 2.144 -2.957 -5.389 601 HA LEU 81 HA LEU 81 3.551 -1.664 -3.191 602 HB2 LEU 81 HB2 LEU 81 4.658 -3.141 -5.583 603 HB3 LEU 81 HB1 LEU 81 5.595 -2.549 -4.230 604 HG LEU 81 HG LEU 81 5.399 -4.819 -3.803 605 HD11 LEU 81 HD11 LEU 81 3.111 -3.538 -2.320 606 HD12 LEU 81 HD12 LEU 81 4.808 -3.525 -1.841 607 HD13 LEU 81 HD13 LEU 81 3.912 -5.044 -1.872 608 HD21 LEU 81 HD21 LEU 81 2.474 -4.696 -4.513 609 HD22 LEU 81 HD22 LEU 81 3.393 -6.134 -4.066 610 HD23 LEU 81 HD23 LEU 81 3.756 -5.287 -5.570 611 H HIS 82 HN HIS 82 3.725 0.455 -3.348 612 HA HIS 82 HA HIS 82 4.219 1.614 -5.995 613 HB2 HIS 82 HB2 HIS 82 2.266 2.555 -4.908 614 HB3 HIS 82 HB1 HIS 82 3.171 2.879 -3.439 615 HD1 HIS 82 HD1 HIS 82 2.696 5.396 -3.494 616 HD2 HIS 82 HD2 HIS 82 4.594 3.999 -6.915 617 HE1 HIS 82 HE1 HIS 82 3.343 7.444 -4.802 618 HE2 HIS 82 HE2 HIS 82 4.691 6.577 -6.731 619 H THR 83 HN THR 83 6.332 1.125 -6.136 620 HA THR 83 HA THR 83 8.156 2.435 -4.235 621 HB THR 83 HB THR 83 8.003 -0.018 -3.798 622 HG1 THR 83 HG1 THR 83 9.987 1.098 -3.439 623 HG21 THR 83 HG21 THR 83 7.447 -0.666 -6.106 624 HG22 THR 83 HG22 THR 83 8.787 -1.606 -5.434 625 HG23 THR 83 HG23 THR 83 9.111 -0.307 -6.583 626 H GLY 84 HN GLY 84 10.340 2.752 -5.165 627 HA2 GLY 84 HA2 GLY 84 10.277 2.983 -8.110 628 HA3 GLY 84 HA1 GLY 84 11.255 3.990 -7.048 629 H ASP 85 HN ASP 85 11.197 0.881 -5.897 630 HA ASP 85 HA ASP 85 13.767 0.255 -7.190 631 HB2 ASP 85 HB2 ASP 85 12.795 -0.276 -4.385 632 HB3 ASP 85 HB1 ASP 85 14.177 -1.121 -5.075 633 H LEU 86 HN LEU 86 12.319 -0.706 -8.842 634 HA LEU 86 HA LEU 86 10.906 -3.112 -8.075 635 HB2 LEU 86 HB2 LEU 86 11.349 -1.835 -10.775 636 HB3 LEU 86 HB1 LEU 86 10.416 -3.293 -10.521 637 HG LEU 86 HG LEU 86 8.931 -1.884 -8.982 638 HD11 LEU 86 HD11 LEU 86 10.338 0.343 -10.444 639 HD12 LEU 86 HD12 LEU 86 10.421 0.019 -8.712 640 HD13 LEU 86 HD13 LEU 86 8.895 0.513 -9.446 641 HD21 LEU 86 HD21 LEU 86 9.021 -1.275 -11.933 642 HD22 LEU 86 HD22 LEU 86 7.633 -1.039 -10.869 643 HD23 LEU 86 HD23 LEU 86 8.238 -2.666 -11.180 644 H ASP 87 HN ASP 87 13.902 -2.183 -9.588 645 HA ASP 87 HA ASP 87 14.487 -4.838 -10.551 646 HB2 ASP 87 HB2 ASP 87 16.161 -2.323 -10.418 647 HB3 ASP 87 HB1 ASP 87 16.720 -3.836 -11.122 648 H ARG 88 HN ARG 88 15.328 -2.843 -7.805 649 HA ARG 88 HA ARG 88 17.354 -4.594 -6.790 650 HB2 ARG 88 HB2 ARG 88 16.962 -2.076 -6.284 651 HB3 ARG 88 HB1 ARG 88 15.818 -2.680 -5.092 652 HG2 ARG 88 HG2 ARG 88 17.965 -2.246 -4.088 653 HG3 ARG 88 HG1 ARG 88 17.577 -3.961 -4.019 654 HD2 ARG 88 HD2 ARG 88 19.020 -4.375 -5.920 655 HD3 ARG 88 HD1 ARG 88 19.356 -2.653 -6.064 656 HE ARG 88 HE ARG 88 20.081 -3.384 -3.494 657 HH11 ARG 88 HH11 ARG 88 21.013 -4.222 -6.760 658 HH12 ARG 88 HH12 ARG 88 22.655 -4.583 -6.337 659 HH21 ARG 88 HH21 ARG 88 22.232 -3.860 -2.928 660 HH22 ARG 88 HH22 ARG 88 23.353 -4.373 -4.153 661 H HIS 89 HN HIS 89 13.931 -4.534 -6.700 662 HA HIS 89 HA HIS 89 13.935 -6.441 -4.467 663 HB2 HIS 89 HB2 HIS 89 12.231 -4.030 -4.919 664 HB3 HIS 89 HB1 HIS 89 11.567 -5.408 -4.040 665 HD1 HIS 89 HD1 HIS 89 12.791 -2.353 -3.132 666 HD2 HIS 89 HD2 HIS 89 13.993 -6.192 -2.176 667 HE1 HIS 89 HE1 HIS 89 13.994 -2.154 -0.926 668 HE2 HIS 89 HE2 HIS 89 14.887 -4.467 -0.480 669 H GLY 90 HN GLY 90 13.849 -6.840 -7.428 670 HA2 GLY 90 HA2 GLY 90 11.269 -7.531 -8.282 671 HA3 GLY 90 HA1 GLY 90 12.757 -8.199 -8.926 672 H GLU 91 HN GLU 91 13.666 -9.397 -6.499 673 HA GLU 91 HA GLU 91 12.353 -11.887 -6.579 674 HB2 GLU 91 HB2 GLU 91 14.170 -10.730 -4.457 675 HB3 GLU 91 HB1 GLU 91 13.708 -12.421 -4.574 676 HG2 GLU 91 HG2 GLU 91 14.868 -12.661 -6.645 677 HG3 GLU 91 HG1 GLU 91 15.185 -10.929 -6.723 678 H LEU 92 HN LEU 92 12.336 -9.332 -4.100 679 HA LEU 92 HA LEU 92 10.484 -10.543 -2.388 680 HB2 LEU 92 HB2 LEU 92 11.931 -8.619 -1.801 681 HB3 LEU 92 HB1 LEU 92 10.943 -7.592 -2.820 682 HG LEU 92 HG LEU 92 8.996 -8.065 -1.351 683 HD11 LEU 92 HD11 LEU 92 9.393 -9.081 0.843 684 HD12 LEU 92 HD12 LEU 92 11.050 -9.452 0.369 685 HD13 LEU 92 HD13 LEU 92 9.700 -10.221 -0.466 686 HD21 LEU 92 HD21 LEU 92 9.734 -6.662 0.496 687 HD22 LEU 92 HD22 LEU 92 10.365 -6.063 -1.039 688 HD23 LEU 92 HD23 LEU 92 11.417 -6.955 0.060 689 H LEU 93 HN LEU 93 10.032 -8.314 -5.103 690 HA LEU 93 HA LEU 93 7.288 -7.882 -4.831 691 HB2 LEU 93 HB2 LEU 93 9.035 -7.916 -7.288 692 HB3 LEU 93 HB1 LEU 93 7.395 -7.306 -7.255 693 HG LEU 93 HG LEU 93 9.594 -6.191 -5.531 694 HD11 LEU 93 HD11 LEU 93 9.659 -4.342 -7.160 695 HD12 LEU 93 HD12 LEU 93 8.615 -5.283 -8.226 696 HD13 LEU 93 HD13 LEU 93 10.229 -5.874 -7.824 697 HD21 LEU 93 HD21 LEU 93 7.377 -5.746 -4.696 698 HD22 LEU 93 HD22 LEU 93 6.854 -5.189 -6.284 699 HD23 LEU 93 HD23 LEU 93 8.055 -4.270 -5.379 700 H ARG 94 HN ARG 94 9.056 -10.464 -6.484 701 HA ARG 94 HA ARG 94 6.735 -11.634 -7.639 702 HB2 ARG 94 HB2 ARG 94 8.109 -13.183 -8.579 703 HB3 ARG 94 HB1 ARG 94 9.269 -11.897 -8.260 704 HG2 ARG 94 HG2 ARG 94 9.883 -12.986 -6.181 705 HG3 ARG 94 HG1 ARG 94 8.739 -14.274 -6.540 706 HD2 ARG 94 HD2 ARG 94 11.139 -13.532 -8.212 707 HD3 ARG 94 HD1 ARG 94 11.039 -14.917 -7.128 708 HE ARG 94 HE ARG 94 8.944 -15.314 -8.768 709 HH11 ARG 94 HH11 ARG 94 12.321 -14.624 -9.377 710 HH12 ARG 94 HH12 ARG 94 12.361 -15.487 -10.879 711 HH21 ARG 94 HH21 ARG 94 8.990 -16.451 -10.746 712 HH22 ARG 94 HH22 ARG 94 10.459 -16.522 -11.663 713 H LYS 95 HN LYS 95 8.321 -11.905 -4.575 714 HA LYS 95 HA LYS 95 6.869 -14.243 -3.748 715 HB2 LYS 95 HB2 LYS 95 8.419 -12.208 -2.138 716 HB3 LYS 95 HB1 LYS 95 7.746 -13.697 -1.489 717 HG2 LYS 95 HG2 LYS 95 9.178 -14.997 -2.973 718 HG3 LYS 95 HG1 LYS 95 9.852 -13.507 -3.632 719 HD2 LYS 95 HD2 LYS 95 11.365 -14.410 -1.985 720 HD3 LYS 95 HD1 LYS 95 10.657 -12.917 -1.366 721 HE2 LYS 95 HE2 LYS 95 9.069 -14.215 -0.042 722 HE3 LYS 95 HE1 LYS 95 9.748 -15.712 -0.678 723 HZ1 LYS 95 HZ1 LYS 95 11.845 -15.174 0.372 724 HZ2 LYS 95 HZ2 LYS 95 10.603 -15.185 1.521 725 HZ3 LYS 95 HZ3 LYS 95 11.215 -13.716 0.957 726 H ILE 96 HN ILE 96 6.636 -10.783 -3.273 727 HA ILE 96 HA ILE 96 4.436 -10.692 -1.558 728 HB ILE 96 HB ILE 96 5.412 -8.763 -3.664 729 HG12 ILE 96 HG12 ILE 96 5.617 -8.696 -0.646 730 HG13 ILE 96 HG11 ILE 96 6.914 -9.174 -1.737 731 HG21 ILE 96 HG21 ILE 96 3.248 -8.396 -1.617 732 HG22 ILE 96 HG22 ILE 96 3.094 -8.310 -3.371 733 HG23 ILE 96 HG23 ILE 96 4.012 -7.079 -2.503 734 HD11 ILE 96 HD11 ILE 96 7.134 -6.866 -0.916 735 HD12 ILE 96 HD12 ILE 96 5.608 -6.463 -1.709 736 HD13 ILE 96 HD13 ILE 96 7.000 -6.959 -2.672 737 H ASP 97 HN ASP 97 4.639 -10.690 -5.092 738 HA ASP 97 HA ASP 97 3.130 -11.062 -6.737 739 HB2 ASP 97 HB2 ASP 97 3.065 -13.284 -5.624 740 HB3 ASP 97 HB1 ASP 97 1.695 -12.731 -4.665 741 H ALA 98 HN ALA 98 2.584 -8.833 -6.614 742 HA ALA 98 HA ALA 98 -0.232 -8.381 -6.464 743 HB1 ALA 98 HB1 ALA 98 0.322 -8.154 -4.079 744 HB2 ALA 98 HB2 ALA 98 -0.168 -6.607 -4.773 745 HB3 ALA 98 HB3 ALA 98 1.538 -6.940 -4.479 746 HA PRO 99 HA PRO 99 0.757 -5.374 -9.529 747 HB2 PRO 99 HB2 PRO 99 -0.957 -3.408 -8.120 748 HB3 PRO 99 HB1 PRO 99 -1.064 -4.005 -9.778 749 HG2 PRO 99 HG2 PRO 99 -2.807 -4.814 -7.955 750 HG3 PRO 99 HG1 PRO 99 -2.135 -5.957 -9.129 751 HD2 PRO 99 HD2 PRO 99 -1.387 -5.552 -6.261 752 HD3 PRO 99 HD1 PRO 99 -1.623 -7.068 -7.158 753 H VAL 100 HN VAL 100 2.133 -3.680 -9.943 754 HA VAL 100 HA VAL 100 3.262 -2.312 -7.594 755 HB VAL 100 HB VAL 100 4.779 -3.223 -10.050 756 HG11 VAL 100 HG11 VAL 100 6.778 -2.515 -8.818 757 HG12 VAL 100 HG12 VAL 100 5.754 -1.895 -7.523 758 HG13 VAL 100 HG13 VAL 100 5.686 -1.165 -9.128 759 HG21 VAL 100 HG21 VAL 100 5.892 -4.809 -8.574 760 HG22 VAL 100 HG22 VAL 100 4.153 -5.098 -8.602 761 HG23 VAL 100 HG23 VAL 100 4.889 -4.278 -7.227 762 H MET 101 HN MET 101 3.289 -0.174 -7.685 763 HA MET 101 HA MET 101 2.992 1.169 -10.297 764 HB2 MET 101 HB2 MET 101 2.135 2.094 -7.541 765 HB3 MET 101 HB1 MET 101 2.103 3.111 -8.973 766 HG2 MET 101 HG2 MET 101 0.604 0.520 -8.817 767 HG3 MET 101 HG1 MET 101 -0.077 2.039 -8.245 768 HE1 MET 101 HE1 MET 101 0.601 4.254 -10.117 769 HE2 MET 101 HE2 MET 101 -1.098 3.889 -9.810 770 HE3 MET 101 HE3 MET 101 -0.532 4.125 -11.461 771 H ALA 102 HN ALA 102 4.958 1.812 -10.913 772 HA ALA 102 HA ALA 102 7.137 2.118 -9.124 773 HB1 ALA 102 HB1 ALA 102 7.410 1.394 -11.450 774 HB2 ALA 102 HB2 ALA 102 8.399 2.808 -11.086 775 HB3 ALA 102 HB3 ALA 102 6.904 2.991 -12.001 776 H LYS 103 HN LYS 103 8.279 3.964 -8.523 777 HA LYS 103 HA LYS 103 6.755 6.451 -8.499 778 HB2 LYS 103 HB2 LYS 103 9.355 5.675 -7.159 779 HB3 LYS 103 HB1 LYS 103 8.625 7.265 -7.027 780 HG2 LYS 103 HG2 LYS 103 6.627 6.204 -6.008 781 HG3 LYS 103 HG1 LYS 103 7.484 4.662 -6.037 782 HD2 LYS 103 HD2 LYS 103 9.117 5.431 -4.502 783 HD3 LYS 103 HD1 LYS 103 8.604 7.110 -4.684 784 HE2 LYS 103 HE2 LYS 103 6.467 6.578 -3.630 785 HE3 LYS 103 HE1 LYS 103 6.957 4.893 -3.469 786 HZ1 LYS 103 HZ1 LYS 103 8.491 7.110 -2.219 787 HZ2 LYS 103 HZ2 LYS 103 8.570 5.447 -1.873 788 HZ3 LYS 103 HZ3 LYS 103 7.197 6.340 -1.436 789 HA PRO 104 HA PRO 104 7.077 8.606 -8.354 790 HB2 PRO 104 HB2 PRO 104 6.460 10.379 -10.546 791 HB3 PRO 104 HB1 PRO 104 7.296 10.749 -9.039 792 HG2 PRO 104 HG2 PRO 104 8.508 10.759 -11.489 793 HG3 PRO 104 HG1 PRO 104 9.363 10.452 -9.967 794 HD2 PRO 104 HD2 PRO 104 8.387 8.509 -12.020 795 HD3 PRO 104 HD1 PRO 104 9.898 8.502 -11.089 796 H ALA 105 HN ALA 105 4.810 8.927 -8.350 797 HA ALA 105 HA ALA 105 3.234 8.015 -10.606 798 HB1 ALA 105 HB1 ALA 105 3.145 6.561 -7.959 799 HB2 ALA 105 HB2 ALA 105 3.765 5.910 -9.483 800 HB3 ALA 105 HB3 ALA 105 2.049 6.300 -9.325 801 H ASP 106 HN ASP 106 1.365 9.102 -10.669 802 HA ASP 106 HA ASP 106 0.758 11.079 -8.724 803 HB2 ASP 106 HB2 ASP 106 0.062 11.227 -11.123 804 HB3 ASP 106 HB1 ASP 106 -1.088 9.925 -10.834 805 H THR 107 HN THR 107 -0.429 10.979 -6.960 806 HA THR 107 HA THR 107 -0.797 8.449 -5.796 807 HB THR 107 HB THR 107 -1.857 9.810 -3.931 808 HG1 THR 107 HG1 THR 107 -2.403 11.793 -4.468 809 HG21 THR 107 HG21 THR 107 0.533 9.172 -4.054 810 HG22 THR 107 HG22 THR 107 0.296 10.735 -3.275 811 HG23 THR 107 HG23 THR 107 0.860 10.660 -4.946 812 H SER 108 HN SER 108 -2.941 10.422 -7.650 813 HA SER 108 HA SER 108 -5.355 9.254 -6.655 814 HB2 SER 108 HB2 SER 108 -5.150 10.397 -9.415 815 HB3 SER 108 HB1 SER 108 -6.454 10.542 -8.238 816 HG SER 108 HG SER 108 -3.994 11.921 -8.366 817 H ASP 109 HN ASP 109 -3.118 8.603 -9.309 818 HA ASP 109 HA ASP 109 -4.555 6.475 -10.514 819 HB2 ASP 109 HB2 ASP 109 -1.626 7.192 -10.450 820 HB3 ASP 109 HB1 ASP 109 -2.198 5.737 -11.253 821 H VAL 110 HN VAL 110 -2.110 6.626 -8.009 822 HA VAL 110 HA VAL 110 -1.849 3.862 -7.587 823 HB VAL 110 HB VAL 110 -1.479 6.014 -5.504 824 HG11 VAL 110 HG11 VAL 110 0.087 4.496 -4.504 825 HG12 VAL 110 HG12 VAL 110 -0.091 3.362 -5.843 826 HG13 VAL 110 HG13 VAL 110 -1.443 3.649 -4.747 827 HG21 VAL 110 HG21 VAL 110 -0.293 6.634 -7.545 828 HG22 VAL 110 HG22 VAL 110 0.480 5.047 -7.584 829 HG23 VAL 110 HG23 VAL 110 0.836 6.170 -6.270 830 H ALA 111 HN ALA 111 -3.945 6.302 -6.108 831 HA ALA 111 HA ALA 111 -5.107 4.656 -4.140 832 HB1 ALA 111 HB1 ALA 111 -6.825 6.382 -3.972 833 HB2 ALA 111 HB2 ALA 111 -6.261 7.098 -5.482 834 HB3 ALA 111 HB3 ALA 111 -5.214 7.096 -4.062 835 H LYS 112 HN LYS 112 -6.258 5.589 -7.364 836 HA LYS 112 HA LYS 112 -8.681 4.163 -7.239 837 HB2 LYS 112 HB2 LYS 112 -7.040 5.098 -9.596 838 HB3 LYS 112 HB1 LYS 112 -8.661 4.421 -9.735 839 HG2 LYS 112 HG2 LYS 112 -9.574 6.224 -8.423 840 HG3 LYS 112 HG1 LYS 112 -7.957 6.870 -8.134 841 HD2 LYS 112 HD2 LYS 112 -7.702 7.221 -10.564 842 HD3 LYS 112 HD1 LYS 112 -9.357 6.655 -10.795 843 HE2 LYS 112 HE2 LYS 112 -10.201 8.481 -9.448 844 HE3 LYS 112 HE1 LYS 112 -8.559 9.023 -9.110 845 HZ1 LYS 112 HZ1 LYS 112 -8.259 9.515 -11.434 846 HZ2 LYS 112 HZ2 LYS 112 -9.624 10.324 -10.860 847 HZ3 LYS 112 HZ3 LYS 112 -9.803 8.932 -11.804 848 H ARG 113 HN ARG 113 -5.506 3.293 -8.535 849 HA ARG 113 HA ARG 113 -6.206 0.783 -9.582 850 HB2 ARG 113 HB2 ARG 113 -3.647 2.030 -8.674 851 HB3 ARG 113 HB1 ARG 113 -3.687 0.326 -9.120 852 HG2 ARG 113 HG2 ARG 113 -4.668 2.543 -10.895 853 HG3 ARG 113 HG1 ARG 113 -3.042 1.867 -10.957 854 HD2 ARG 113 HD2 ARG 113 -5.488 0.153 -11.191 855 HD3 ARG 113 HD1 ARG 113 -4.754 0.923 -12.585 856 HE ARG 113 HE ARG 113 -2.651 -0.313 -11.777 857 HH11 ARG 113 HH11 ARG 113 -5.927 -1.530 -11.476 858 HH12 ARG 113 HH12 ARG 113 -5.435 -3.195 -11.524 859 HH21 ARG 113 HH21 ARG 113 -2.012 -2.492 -11.831 860 HH22 ARG 113 HH22 ARG 113 -3.207 -3.745 -11.725 861 H ALA 114 HN ALA 114 -5.430 1.828 -6.339 862 HA ALA 114 HA ALA 114 -5.184 -0.842 -5.298 863 HB1 ALA 114 HB1 ALA 114 -3.953 0.983 -4.268 864 HB2 ALA 114 HB2 ALA 114 -5.080 0.271 -3.107 865 HB3 ALA 114 HB3 ALA 114 -5.465 1.805 -3.886 866 H LEU 115 HN LEU 115 -7.630 1.741 -5.126 867 HA LEU 115 HA LEU 115 -9.371 0.319 -3.431 868 HB2 LEU 115 HB2 LEU 115 -9.798 2.687 -5.218 869 HB3 LEU 115 HB1 LEU 115 -11.043 2.045 -4.162 870 HG LEU 115 HG LEU 115 -8.371 3.137 -3.285 871 HD11 LEU 115 HD11 LEU 115 -9.894 4.860 -4.008 872 HD12 LEU 115 HD12 LEU 115 -9.717 4.891 -2.252 873 HD13 LEU 115 HD13 LEU 115 -11.164 4.194 -2.982 874 HD21 LEU 115 HD21 LEU 115 -9.304 2.878 -1.005 875 HD22 LEU 115 HD22 LEU 115 -9.024 1.345 -1.825 876 HD23 LEU 115 HD23 LEU 115 -10.661 1.987 -1.696 877 H GLU 116 HN GLU 116 -9.034 0.299 -6.922 878 HA GLU 116 HA GLU 116 -11.530 -0.858 -7.523 879 HB2 GLU 116 HB2 GLU 116 -10.518 -1.665 -9.589 880 HB3 GLU 116 HB1 GLU 116 -10.013 -0.021 -9.265 881 HG2 GLU 116 HG2 GLU 116 -7.861 -0.606 -8.797 882 HG3 GLU 116 HG1 GLU 116 -8.303 -2.250 -8.379 883 H MET 117 HN MET 117 -8.552 -2.190 -6.281 884 HA MET 117 HA MET 117 -9.346 -4.918 -6.590 885 HB2 MET 117 HB2 MET 117 -7.132 -3.709 -4.942 886 HB3 MET 117 HB1 MET 117 -7.349 -5.424 -5.239 887 HG2 MET 117 HG2 MET 117 -7.217 -4.794 -7.726 888 HG3 MET 117 HG1 MET 117 -6.545 -3.277 -7.145 889 HE1 MET 117 HE1 MET 117 -3.350 -4.504 -5.234 890 HE2 MET 117 HE2 MET 117 -4.944 -4.514 -4.477 891 HE3 MET 117 HE3 MET 117 -4.470 -3.170 -5.519 892 H CYS 118 HN CYS 118 -10.059 -2.470 -4.388 893 HA CYS 118 HA CYS 118 -10.665 -4.258 -2.188 894 HB2 CYS 118 HB2 CYS 118 -9.818 -2.008 -1.702 895 HB3 CYS 118 HB1 CYS 118 -11.181 -1.296 -2.553 896 HG CYS 118 HG CYS 118 -12.949 -2.735 -0.632 897 H GLY 119 HN GLY 119 -12.080 -3.431 -5.067 898 HA2 GLY 119 HA2 GLY 119 -14.787 -3.890 -4.006 899 HA3 GLY 119 HA1 GLY 119 -14.447 -2.922 -5.434 900 H GLY 120 HN GLY 120 -16.031 -4.365 -6.410 901 HA2 GLY 120 HA2 GLY 120 -15.010 -7.074 -6.943 902 HA3 GLY 120 HA1 GLY 120 -16.688 -6.576 -7.088 903 H ASP 121 HN ASP 121 -14.662 -4.226 -8.343 904 HA ASP 121 HA ASP 121 -15.181 -5.201 -11.066 905 HB2 ASP 121 HB2 ASP 121 -14.928 -2.817 -11.752 906 HB3 ASP 121 HB1 ASP 121 -16.258 -3.085 -10.632 907 H LYS 122 HN LYS 122 -12.914 -5.828 -9.227 908 HA LYS 122 HA LYS 122 -10.580 -4.577 -10.318 909 HB2 LYS 122 HB2 LYS 122 -10.662 -5.374 -7.998 910 HB3 LYS 122 HB1 LYS 122 -10.896 -7.019 -8.559 911 HG2 LYS 122 HG2 LYS 122 -8.462 -5.550 -9.439 912 HG3 LYS 122 HG1 LYS 122 -8.543 -6.153 -7.787 913 HD2 LYS 122 HD2 LYS 122 -8.980 -8.410 -8.633 914 HD3 LYS 122 HD1 LYS 122 -8.887 -7.804 -10.287 915 HE2 LYS 122 HE2 LYS 122 -6.793 -8.847 -9.673 916 HE3 LYS 122 HE1 LYS 122 -6.559 -7.116 -9.879 917 HZ1 LYS 122 HZ1 LYS 122 -5.422 -8.003 -7.915 918 HZ2 LYS 122 HZ2 LYS 122 -6.910 -8.475 -7.263 919 HZ3 LYS 122 HZ3 LYS 122 -6.575 -6.837 -7.504 920 H GLU 123 HN GLU 123 -9.694 -5.062 -12.210 921 HA GLU 123 HA GLU 123 -10.178 -7.643 -13.466 922 HB2 GLU 123 HB2 GLU 123 -8.620 -5.221 -14.393 923 HB3 GLU 123 HB1 GLU 123 -8.817 -6.689 -15.335 924 HG2 GLU 123 HG2 GLU 123 -11.246 -6.328 -15.342 925 HG3 GLU 123 HG1 GLU 123 -11.007 -4.823 -14.456 926 HA PRO 124 HA PRO 124 -6.563 -9.542 -11.741 927 HB2 PRO 124 HB2 PRO 124 -6.041 -11.259 -13.856 928 HB3 PRO 124 HB1 PRO 124 -7.165 -11.584 -12.533 929 HG2 PRO 124 HG2 PRO 124 -7.717 -10.580 -15.290 930 HG3 PRO 124 HG1 PRO 124 -8.645 -11.724 -14.302 931 HD2 PRO 124 HD2 PRO 124 -9.428 -9.180 -14.604 932 HD3 PRO 124 HD1 PRO 124 -9.643 -10.036 -13.063 933 H ALA 125 HN ALA 125 -4.931 -8.087 -11.703 934 HA ALA 125 HA ALA 125 -3.381 -7.724 -14.178 935 HB1 ALA 125 HB1 ALA 125 -4.506 -5.652 -13.486 936 HB2 ALA 125 HB2 ALA 125 -2.752 -5.511 -13.382 937 HB3 ALA 125 HB3 ALA 125 -3.705 -5.748 -11.919 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 -16.203 4.379 -1.841 2 H2 GLY 1 HT2 GLY 1 -17.360 5.400 -1.155 3 H3 GLY 1 HT3 GLY 1 -17.771 4.424 -2.470 4 HA2 GLY 1 HA1 GLY 1 -17.432 2.434 -1.141 5 HA3 GLY 1 HA2 GLY 1 -17.013 3.451 0.229 6 H ALA 2 HN ALA 2 -19.567 2.200 -1.746 7 HA ALA 2 HA ALA 2 -21.657 3.868 -0.814 8 HB1 ALA 2 HB1 ALA 2 -23.158 2.264 -1.841 9 HB2 ALA 2 HB2 ALA 2 -21.848 1.092 -1.972 10 HB3 ALA 2 HB3 ALA 2 -21.790 2.588 -2.903 11 H MET 3 HN MET 3 -20.496 0.682 0.223 12 HA MET 3 HA MET 3 -22.492 0.615 2.352 13 HB2 MET 3 HB2 MET 3 -20.392 -1.388 1.519 14 HB3 MET 3 HB1 MET 3 -21.530 -1.634 2.834 15 HG2 MET 3 HG2 MET 3 -23.388 -1.495 1.266 16 HG3 MET 3 HG1 MET 3 -22.257 -1.221 -0.057 17 HE1 MET 3 HE1 MET 3 -22.542 -5.170 2.329 18 HE2 MET 3 HE2 MET 3 -23.521 -3.741 2.658 19 HE3 MET 3 HE3 MET 3 -21.790 -3.720 2.991 20 H GLY 4 HN GLY 4 -19.460 1.854 1.888 21 HA2 GLY 4 HA2 GLY 4 -18.954 2.971 4.239 22 HA3 GLY 4 HA1 GLY 4 -18.456 1.314 4.552 23 H MET 5 HN MET 5 -16.946 3.848 4.412 24 HA MET 5 HA MET 5 -15.263 3.891 2.185 25 HB2 MET 5 HB2 MET 5 -14.997 4.821 5.009 26 HB3 MET 5 HB1 MET 5 -13.611 4.872 3.930 27 HG2 MET 5 HG2 MET 5 -14.858 6.991 4.077 28 HG3 MET 5 HG1 MET 5 -14.717 6.355 2.444 29 HE1 MET 5 HE1 MET 5 -16.489 7.802 1.449 30 HE2 MET 5 HE2 MET 5 -16.737 8.656 2.974 31 HE3 MET 5 HE3 MET 5 -18.123 8.028 2.079 32 HA PRO 6 HA PRO 6 -12.848 0.183 2.872 33 HB2 PRO 6 HB2 PRO 6 -10.991 1.429 0.965 34 HB3 PRO 6 HB1 PRO 6 -11.851 -0.106 0.848 35 HG2 PRO 6 HG2 PRO 6 -12.534 1.979 -0.664 36 HG3 PRO 6 HG1 PRO 6 -13.756 0.871 -0.021 37 HD2 PRO 6 HD2 PRO 6 -12.946 3.579 0.968 38 HD3 PRO 6 HD1 PRO 6 -14.574 2.902 0.783 39 H LYS 7 HN LYS 7 -11.278 -0.220 4.307 40 HA LYS 7 HA LYS 7 -9.848 2.029 5.461 41 HB2 LYS 7 HB2 LYS 7 -10.970 0.087 6.734 42 HB3 LYS 7 HB1 LYS 7 -9.573 -0.861 6.257 43 HG2 LYS 7 HG2 LYS 7 -9.141 -0.088 8.438 44 HG3 LYS 7 HG1 LYS 7 -8.148 0.899 7.362 45 HD2 LYS 7 HD2 LYS 7 -9.710 2.720 7.501 46 HD3 LYS 7 HD1 LYS 7 -10.849 1.731 8.415 47 HE2 LYS 7 HE2 LYS 7 -9.076 1.524 10.187 48 HE3 LYS 7 HE1 LYS 7 -8.151 2.734 9.301 49 HZ1 LYS 7 HZ1 LYS 7 -9.494 3.659 11.130 50 HZ2 LYS 7 HZ2 LYS 7 -10.901 3.159 10.339 51 HZ3 LYS 7 HZ3 LYS 7 -9.896 4.318 9.629 52 H VAL 8 HN VAL 8 -8.101 2.675 4.399 53 HA VAL 8 HA VAL 8 -6.487 0.722 2.929 54 HB VAL 8 HB VAL 8 -6.427 3.743 2.788 55 HG11 VAL 8 HG11 VAL 8 -4.331 2.710 2.089 56 HG12 VAL 8 HG12 VAL 8 -5.178 3.414 0.712 57 HG13 VAL 8 HG13 VAL 8 -5.207 1.669 0.968 58 HG21 VAL 8 HG21 VAL 8 -7.678 3.532 0.709 59 HG22 VAL 8 HG22 VAL 8 -8.589 2.844 2.056 60 HG23 VAL 8 HG23 VAL 8 -7.757 1.782 0.918 61 H LEU 9 HN LEU 9 -4.443 0.265 3.475 62 HA LEU 9 HA LEU 9 -3.221 1.798 5.664 63 HB2 LEU 9 HB2 LEU 9 -3.564 -0.531 6.221 64 HB3 LEU 9 HB1 LEU 9 -2.784 -1.044 4.741 65 HG LEU 9 HG LEU 9 -0.639 -0.233 5.546 66 HD11 LEU 9 HD11 LEU 9 -2.133 0.550 8.049 67 HD12 LEU 9 HD12 LEU 9 -1.495 1.671 6.847 68 HD13 LEU 9 HD13 LEU 9 -0.392 0.670 7.793 69 HD21 LEU 9 HD21 LEU 9 -0.334 -1.780 7.425 70 HD22 LEU 9 HD22 LEU 9 -1.260 -2.506 6.109 71 HD23 LEU 9 HD23 LEU 9 -2.084 -1.942 7.564 72 H VAL 10 HN VAL 10 -1.811 3.257 4.938 73 HA VAL 10 HA VAL 10 -0.363 2.749 2.455 74 HB VAL 10 HB VAL 10 -0.745 5.241 4.105 75 HG11 VAL 10 HG11 VAL 10 1.020 4.926 1.671 76 HG12 VAL 10 HG12 VAL 10 1.583 5.214 3.318 77 HG13 VAL 10 HG13 VAL 10 0.635 6.445 2.485 78 HG21 VAL 10 HG21 VAL 10 -2.571 4.625 2.635 79 HG22 VAL 10 HG22 VAL 10 -1.456 4.485 1.276 80 HG23 VAL 10 HG23 VAL 10 -1.754 6.060 2.015 81 H LEU 11 HN LEU 11 1.551 1.962 2.448 82 HA LEU 11 HA LEU 11 3.344 2.274 4.749 83 HB2 LEU 11 HB2 LEU 11 2.896 0.169 2.801 84 HB3 LEU 11 HB1 LEU 11 4.583 0.650 2.833 85 HG LEU 11 HG LEU 11 4.278 -1.215 4.318 86 HD11 LEU 11 HD11 LEU 11 5.094 -0.260 6.401 87 HD12 LEU 11 HD12 LEU 11 4.514 1.339 5.932 88 HD13 LEU 11 HD13 LEU 11 5.825 0.577 5.031 89 HD21 LEU 11 HD21 LEU 11 1.836 -0.835 4.638 90 HD22 LEU 11 HD22 LEU 11 2.221 0.478 5.752 91 HD23 LEU 11 HD23 LEU 11 2.699 -1.174 6.136 92 H GLU 12 HN GLU 12 4.421 4.117 4.553 93 HA GLU 12 HA GLU 12 6.026 4.638 2.232 94 HB2 GLU 12 HB2 GLU 12 3.832 5.409 1.434 95 HB3 GLU 12 HB1 GLU 12 3.678 6.448 2.843 96 HG2 GLU 12 HG2 GLU 12 4.306 7.679 0.838 97 HG3 GLU 12 HG1 GLU 12 5.533 7.788 2.095 98 H ASP 13 HN ASP 13 7.846 5.474 3.004 99 HA ASP 13 HA ASP 13 7.800 6.740 5.636 100 HB2 ASP 13 HB2 ASP 13 9.442 4.939 5.221 101 HB3 ASP 13 HB1 ASP 13 10.169 5.909 3.950 102 H GLU 14 HN GLU 14 7.852 7.587 2.355 103 HA GLU 14 HA GLU 14 8.959 10.237 2.812 104 HB2 GLU 14 HB2 GLU 14 7.483 9.114 0.413 105 HB3 GLU 14 HB1 GLU 14 8.280 10.678 0.482 106 HG2 GLU 14 HG2 GLU 14 10.433 9.549 0.816 107 HG3 GLU 14 HG1 GLU 14 9.619 7.991 0.686 108 HA PRO 15 HA PRO 15 4.982 11.069 4.736 109 HB2 PRO 15 HB2 PRO 15 6.100 13.764 5.050 110 HB3 PRO 15 HB1 PRO 15 5.445 12.666 6.263 111 HG2 PRO 15 HG2 PRO 15 8.073 13.092 6.094 112 HG3 PRO 15 HG1 PRO 15 7.430 11.476 6.448 113 HD2 PRO 15 HD2 PRO 15 8.478 12.572 3.864 114 HD3 PRO 15 HD1 PRO 15 8.742 10.979 4.601 115 H LEU 16 HN LEU 16 6.417 13.118 2.241 116 HA LEU 16 HA LEU 16 4.067 14.605 1.701 117 HB2 LEU 16 HB2 LEU 16 6.362 15.191 0.898 118 HB3 LEU 16 HB1 LEU 16 6.266 13.848 -0.220 119 HG LEU 16 HG LEU 16 5.830 16.182 -1.154 120 HD11 LEU 16 HD11 LEU 16 3.721 14.085 -1.599 121 HD12 LEU 16 HD12 LEU 16 5.293 14.159 -2.396 122 HD13 LEU 16 HD13 LEU 16 4.101 15.428 -2.679 123 HD21 LEU 16 HD21 LEU 16 3.569 17.056 -0.909 124 HD22 LEU 16 HD22 LEU 16 4.399 16.994 0.647 125 HD23 LEU 16 HD23 LEU 16 3.192 15.774 0.242 126 H ILE 17 HN ILE 17 5.456 11.719 0.173 127 HA ILE 17 HA ILE 17 3.316 11.241 -1.583 128 HB ILE 17 HB ILE 17 5.395 9.354 -0.462 129 HG12 ILE 17 HG12 ILE 17 6.197 9.466 -2.876 130 HG13 ILE 17 HG11 ILE 17 5.102 10.818 -3.079 131 HG21 ILE 17 HG21 ILE 17 4.709 7.831 -2.325 132 HG22 ILE 17 HG22 ILE 17 3.290 8.853 -2.558 133 HG23 ILE 17 HG23 ILE 17 3.519 7.996 -1.032 134 HD11 ILE 17 HD11 ILE 17 7.345 11.598 -2.716 135 HD12 ILE 17 HD12 ILE 17 7.445 10.690 -1.211 136 HD13 ILE 17 HD13 ILE 17 6.327 12.045 -1.350 137 H ALA 18 HN ALA 18 4.068 10.042 1.643 138 HA ALA 18 HA ALA 18 1.975 8.218 1.950 139 HB1 ALA 18 HB1 ALA 18 2.336 8.396 4.320 140 HB2 ALA 18 HB2 ALA 18 3.158 9.947 4.124 141 HB3 ALA 18 HB3 ALA 18 3.896 8.470 3.500 142 H MET 19 HN MET 19 2.105 11.618 2.968 143 HA MET 19 HA MET 19 -0.554 11.830 3.805 144 HB2 MET 19 HB2 MET 19 1.312 13.374 4.360 145 HB3 MET 19 HB1 MET 19 1.255 13.964 2.708 146 HG2 MET 19 HG2 MET 19 -1.086 14.657 3.095 147 HG3 MET 19 HG1 MET 19 -0.881 14.196 4.784 148 HE1 MET 19 HE1 MET 19 1.625 17.504 2.765 149 HE2 MET 19 HE2 MET 19 0.425 16.540 1.906 150 HE3 MET 19 HE3 MET 19 1.898 15.783 2.512 151 H ASN 20 HN ASN 20 0.997 12.373 0.687 152 HA ASN 20 HA ASN 20 -1.202 13.569 -0.615 153 HB2 ASN 20 HB2 ASN 20 1.324 13.374 -1.287 154 HB3 ASN 20 HB1 ASN 20 0.796 11.931 -2.086 155 HD21 ASN 20 HD21 ASN 20 1.867 14.395 -3.155 156 HD22 ASN 20 HD22 ASN 20 0.687 14.964 -4.279 157 H LEU 21 HN LEU 21 -0.088 10.211 -0.416 158 HA LEU 21 HA LEU 21 -2.137 9.037 -1.921 159 HB2 LEU 21 HB2 LEU 21 -0.378 8.062 0.304 160 HB3 LEU 21 HB1 LEU 21 -1.604 7.032 -0.396 161 HG LEU 21 HG LEU 21 0.529 8.344 -2.055 162 HD11 LEU 21 HD11 LEU 21 1.618 6.951 -0.379 163 HD12 LEU 21 HD12 LEU 21 1.733 6.232 -1.985 164 HD13 LEU 21 HD13 LEU 21 0.573 5.600 -0.817 165 HD21 LEU 21 HD21 LEU 21 -1.506 7.559 -3.178 166 HD22 LEU 21 HD22 LEU 21 -1.230 5.947 -2.514 167 HD23 LEU 21 HD23 LEU 21 -0.078 6.640 -3.657 168 H GLN 22 HN GLN 22 -1.871 9.768 1.520 169 HA GLN 22 HA GLN 22 -4.256 8.706 2.427 170 HB2 GLN 22 HB2 GLN 22 -2.429 9.766 3.804 171 HB3 GLN 22 HB1 GLN 22 -3.075 11.331 3.335 172 HG2 GLN 22 HG2 GLN 22 -5.249 10.645 4.355 173 HG3 GLN 22 HG1 GLN 22 -4.433 9.210 4.961 174 HE21 GLN 22 HE21 GLN 22 -1.937 10.640 5.416 175 HE22 GLN 22 HE22 GLN 22 -2.179 11.582 6.844 176 H TYR 23 HN TYR 23 -3.653 11.997 1.209 177 HA TYR 23 HA TYR 23 -6.282 12.917 1.262 178 HB2 TYR 23 HB2 TYR 23 -3.916 13.632 -0.447 179 HB3 TYR 23 HB1 TYR 23 -5.474 14.404 -0.688 180 HD1 TYR 23 HD2 TYR 23 -6.533 15.148 1.756 181 HD2 TYR 23 HD1 TYR 23 -2.414 14.890 0.735 182 HE1 TYR 23 HE2 TYR 23 -5.995 16.742 3.547 183 HE2 TYR 23 HE1 TYR 23 -1.864 16.482 2.527 184 HH TYR 23 HH TYR 23 -4.022 17.312 4.968 185 H ALA 24 HN ALA 24 -4.593 10.989 -1.156 186 HA ALA 24 HA ALA 24 -6.523 11.400 -3.216 187 HB1 ALA 24 HB1 ALA 24 -5.311 9.706 -4.451 188 HB2 ALA 24 HB2 ALA 24 -4.444 9.225 -2.989 189 HB3 ALA 24 HB3 ALA 24 -4.179 10.823 -3.688 190 H PHE 25 HN PHE 25 -5.834 8.690 -1.018 191 HA PHE 25 HA PHE 25 -7.945 7.058 -1.917 192 HB2 PHE 25 HB2 PHE 25 -6.335 7.159 0.612 193 HB3 PHE 25 HB1 PHE 25 -7.698 6.059 0.468 194 HD1 PHE 25 HD2 PHE 25 -7.659 4.303 -1.349 195 HD2 PHE 25 HD1 PHE 25 -4.270 6.677 -0.356 196 HE1 PHE 25 HE2 PHE 25 -6.188 2.690 -2.506 197 HE2 PHE 25 HE1 PHE 25 -2.807 5.079 -1.511 198 HZ PHE 25 HZ PHE 25 -3.822 2.986 -2.517 199 H GLU 26 HN GLU 26 -7.757 9.422 0.740 200 HA GLU 26 HA GLU 26 -10.389 9.156 1.666 201 HB2 GLU 26 HB2 GLU 26 -8.546 11.542 1.599 202 HB3 GLU 26 HB1 GLU 26 -10.123 11.580 2.372 203 HG2 GLU 26 HG2 GLU 26 -9.401 9.763 3.867 204 HG3 GLU 26 HG1 GLU 26 -7.806 9.809 3.113 205 H ASP 27 HN ASP 27 -9.038 11.029 -0.988 206 HA ASP 27 HA ASP 27 -11.365 12.504 -1.609 207 HB2 ASP 27 HB2 ASP 27 -9.029 13.051 -2.336 208 HB3 ASP 27 HB1 ASP 27 -9.150 11.735 -3.490 209 H GLU 28 HN GLU 28 -10.269 9.306 -2.455 210 HA GLU 28 HA GLU 28 -12.330 8.926 -4.453 211 HB2 GLU 28 HB2 GLU 28 -10.382 6.996 -3.186 212 HB3 GLU 28 HB1 GLU 28 -11.527 6.556 -4.445 213 HG2 GLU 28 HG2 GLU 28 -9.294 8.555 -4.698 214 HG3 GLU 28 HG1 GLU 28 -9.309 6.922 -5.354 215 H GLY 29 HN GLY 29 -12.496 9.255 -1.262 216 HA2 GLY 29 HA2 GLY 29 -14.335 8.885 0.102 217 HA3 GLY 29 HA1 GLY 29 -14.988 7.800 -1.116 218 H ALA 30 HN ALA 30 -11.904 7.768 0.662 219 HA ALA 30 HA ALA 30 -12.753 5.259 1.918 220 HB1 ALA 30 HB1 ALA 30 -10.076 5.692 0.591 221 HB2 ALA 30 HB2 ALA 30 -11.388 4.703 -0.049 222 HB3 ALA 30 HB3 ALA 30 -10.586 4.241 1.453 223 H GLU 31 HN GLU 31 -10.962 4.589 3.565 224 HA GLU 31 HA GLU 31 -10.210 6.977 5.132 225 HB2 GLU 31 HB2 GLU 31 -11.931 5.500 6.174 226 HB3 GLU 31 HB1 GLU 31 -10.777 4.175 6.123 227 HG2 GLU 31 HG2 GLU 31 -10.831 5.128 8.324 228 HG3 GLU 31 HG1 GLU 31 -9.270 5.449 7.578 229 H VAL 32 HN VAL 32 -8.083 6.948 6.103 230 HA VAL 32 HA VAL 32 -6.315 4.907 4.917 231 HB VAL 32 HB VAL 32 -5.666 7.846 4.973 232 HG11 VAL 32 HG11 VAL 32 -3.788 7.212 3.536 233 HG12 VAL 32 HG12 VAL 32 -4.268 5.519 3.656 234 HG13 VAL 32 HG13 VAL 32 -3.719 6.383 5.091 235 HG21 VAL 32 HG21 VAL 32 -7.497 7.364 3.395 236 HG22 VAL 32 HG22 VAL 32 -6.462 6.181 2.591 237 HG23 VAL 32 HG23 VAL 32 -6.020 7.891 2.587 238 H VAL 33 HN VAL 33 -4.819 4.099 6.231 239 HA VAL 33 HA VAL 33 -4.020 5.642 8.615 240 HB VAL 33 HB VAL 33 -3.461 2.728 8.170 241 HG11 VAL 33 HG11 VAL 33 -3.483 4.447 10.641 242 HG12 VAL 33 HG12 VAL 33 -2.059 3.832 9.801 243 HG13 VAL 33 HG13 VAL 33 -3.159 2.714 10.609 244 HG21 VAL 33 HG21 VAL 33 -5.808 3.879 9.663 245 HG22 VAL 33 HG22 VAL 33 -5.347 2.176 9.611 246 HG23 VAL 33 HG23 VAL 33 -5.883 2.992 8.141 247 H VAL 34 HN VAL 34 -1.863 6.211 8.787 248 HA VAL 34 HA VAL 34 -0.195 5.483 6.478 249 HB VAL 34 HB VAL 34 0.107 7.844 8.343 250 HG11 VAL 34 HG11 VAL 34 1.762 8.637 6.707 251 HG12 VAL 34 HG12 VAL 34 1.591 7.122 5.819 252 HG13 VAL 34 HG13 VAL 34 2.246 7.115 7.456 253 HG21 VAL 34 HG21 VAL 34 -0.614 9.191 6.428 254 HG22 VAL 34 HG22 VAL 34 -1.866 8.054 6.927 255 HG23 VAL 34 HG23 VAL 34 -0.889 7.718 5.498 256 H ALA 35 HN ALA 35 1.485 4.207 6.774 257 HA ALA 35 HA ALA 35 2.815 4.179 9.393 258 HB1 ALA 35 HB1 ALA 35 1.334 2.170 9.114 259 HB2 ALA 35 HB2 ALA 35 3.039 1.813 9.387 260 HB3 ALA 35 HB3 ALA 35 2.361 1.685 7.760 261 H ALA 36 HN ALA 36 4.979 4.307 9.282 262 HA ALA 36 HA ALA 36 6.192 4.317 6.615 263 HB1 ALA 36 HB1 ALA 36 7.304 5.319 9.230 264 HB2 ALA 36 HB2 ALA 36 6.476 6.311 8.026 265 HB3 ALA 36 HB3 ALA 36 8.017 5.545 7.628 266 H THR 37 HN THR 37 5.836 2.322 9.264 267 HA THR 37 HA THR 37 8.211 0.767 8.513 268 HB THR 37 HB THR 37 8.490 0.054 10.826 269 HG1 THR 37 HG1 THR 37 7.160 1.529 12.356 270 HG21 THR 37 HG21 THR 37 9.687 2.063 10.131 271 HG22 THR 37 HG22 THR 37 9.227 2.154 11.832 272 HG23 THR 37 HG23 THR 37 8.313 3.056 10.623 273 H CYS 38 HN CYS 38 7.987 -1.555 9.120 274 HA CYS 38 HA CYS 38 5.451 -2.567 8.287 275 HB2 CYS 38 HB2 CYS 38 7.824 -4.025 9.471 276 HB3 CYS 38 HB1 CYS 38 6.449 -4.784 8.680 277 HG CYS 38 HG CYS 38 9.220 -3.881 7.331 278 H GLU 39 HN GLU 39 7.050 -2.012 11.333 279 HA GLU 39 HA GLU 39 5.342 -3.566 12.951 280 HB2 GLU 39 HB2 GLU 39 7.009 -1.155 13.623 281 HB3 GLU 39 HB1 GLU 39 6.210 -2.170 14.815 282 HG2 GLU 39 HG2 GLU 39 7.521 -4.086 14.065 283 HG3 GLU 39 HG1 GLU 39 8.320 -3.072 12.867 284 H GLN 40 HN GLN 40 5.244 -0.091 12.064 285 HA GLN 40 HA GLN 40 2.867 0.500 13.442 286 HB2 GLN 40 HB2 GLN 40 4.014 1.683 10.925 287 HB3 GLN 40 HB1 GLN 40 2.648 2.353 11.780 288 HG2 GLN 40 HG2 GLN 40 4.251 2.437 13.788 289 HG3 GLN 40 HG1 GLN 40 5.502 2.238 12.566 290 HE21 GLN 40 HE21 GLN 40 3.947 3.705 10.591 291 HE22 GLN 40 HE22 GLN 40 4.112 5.375 11.001 292 H ALA 41 HN ALA 41 3.506 -0.904 10.322 293 HA ALA 41 HA ALA 41 0.913 -0.743 9.241 294 HB1 ALA 41 HB1 ALA 41 3.035 -1.217 8.006 295 HB2 ALA 41 HB2 ALA 41 1.676 -2.262 7.591 296 HB3 ALA 41 HB3 ALA 41 2.957 -2.861 8.644 297 H LEU 42 HN LEU 42 2.604 -3.489 10.759 298 HA LEU 42 HA LEU 42 0.454 -5.260 10.772 299 HB2 LEU 42 HB2 LEU 42 2.719 -5.070 12.755 300 HB3 LEU 42 HB1 LEU 42 1.705 -6.468 12.480 301 HG LEU 42 HG LEU 42 3.594 -5.270 10.465 302 HD11 LEU 42 HD11 LEU 42 4.785 -6.342 12.286 303 HD12 LEU 42 HD12 LEU 42 4.908 -7.307 10.813 304 HD13 LEU 42 HD13 LEU 42 3.800 -7.794 12.097 305 HD21 LEU 42 HD21 LEU 42 1.856 -7.731 10.341 306 HD22 LEU 42 HD22 LEU 42 3.118 -7.327 9.177 307 HD23 LEU 42 HD23 LEU 42 1.714 -6.274 9.355 308 H LYS 43 HN LYS 43 1.396 -2.723 12.970 309 HA LYS 43 HA LYS 43 -0.348 -3.260 15.098 310 HB2 LYS 43 HB2 LYS 43 1.539 -1.634 15.139 311 HB3 LYS 43 HB1 LYS 43 0.611 -0.573 14.092 312 HG2 LYS 43 HG2 LYS 43 -1.087 -0.334 15.818 313 HG3 LYS 43 HG1 LYS 43 -0.180 -1.418 16.870 314 HD2 LYS 43 HD2 LYS 43 0.832 1.211 15.796 315 HD3 LYS 43 HD1 LYS 43 0.182 0.961 17.415 316 HE2 LYS 43 HE2 LYS 43 2.620 -0.390 16.263 317 HE3 LYS 43 HE1 LYS 43 2.630 0.950 17.406 318 HZ1 LYS 43 HZ1 LYS 43 1.548 -1.769 17.908 319 HZ2 LYS 43 HZ2 LYS 43 1.474 -0.482 19.000 320 HZ3 LYS 43 HZ3 LYS 43 2.972 -1.123 18.551 321 H SER 44 HN SER 44 -0.732 -1.040 12.344 322 HA SER 44 HA SER 44 -3.403 -0.358 12.921 323 HB2 SER 44 HB2 SER 44 -2.010 0.994 11.419 324 HB3 SER 44 HB1 SER 44 -1.965 -0.327 10.255 325 HG SER 44 HG SER 44 -3.576 1.015 9.599 326 H LEU 45 HN LEU 45 -1.975 -2.901 10.945 327 HA LEU 45 HA LEU 45 -4.318 -3.850 9.741 328 HB2 LEU 45 HB2 LEU 45 -1.883 -4.417 9.238 329 HB3 LEU 45 HB1 LEU 45 -1.976 -5.546 10.573 330 HG LEU 45 HG LEU 45 -3.819 -6.728 9.404 331 HD11 LEU 45 HD11 LEU 45 -3.147 -4.796 7.191 332 HD12 LEU 45 HD12 LEU 45 -4.672 -4.908 8.070 333 HD13 LEU 45 HD13 LEU 45 -4.164 -6.226 7.015 334 HD21 LEU 45 HD21 LEU 45 -1.263 -6.427 7.837 335 HD22 LEU 45 HD22 LEU 45 -2.406 -7.764 7.701 336 HD23 LEU 45 HD23 LEU 45 -1.522 -7.508 9.206 337 H ALA 46 HN ALA 46 -2.846 -4.499 12.877 338 HA ALA 46 HA ALA 46 -4.648 -6.648 13.511 339 HB1 ALA 46 HB1 ALA 46 -3.611 -6.607 15.713 340 HB2 ALA 46 HB2 ALA 46 -2.801 -5.091 15.316 341 HB3 ALA 46 HB3 ALA 46 -2.387 -6.566 14.443 342 H ASP 47 HN ASP 47 -4.417 -3.215 14.288 343 HA ASP 47 HA ASP 47 -6.577 -3.332 16.191 344 HB2 ASP 47 HB2 ASP 47 -4.661 -1.744 16.377 345 HB3 ASP 47 HB1 ASP 47 -5.271 -0.904 14.958 346 H ASN 48 HN ASN 48 -6.183 -2.333 12.846 347 HA ASN 48 HA ASN 48 -9.036 -1.604 12.760 348 HB2 ASN 48 HB2 ASN 48 -6.877 -0.794 10.810 349 HB3 ASN 48 HB1 ASN 48 -8.526 -0.223 10.831 350 HD21 ASN 48 HD21 ASN 48 -5.411 0.030 12.229 351 HD22 ASN 48 HD22 ASN 48 -5.716 1.417 13.215 352 HA PRO 49 HA PRO 49 -9.490 -4.825 9.725 353 HB2 PRO 49 HB2 PRO 49 -11.913 -4.095 8.760 354 HB3 PRO 49 HB1 PRO 49 -11.686 -4.780 10.370 355 HG2 PRO 49 HG2 PRO 49 -12.437 -2.066 9.622 356 HG3 PRO 49 HG1 PRO 49 -12.469 -2.828 11.219 357 HD2 PRO 49 HD2 PRO 49 -10.456 -1.053 10.055 358 HD3 PRO 49 HD1 PRO 49 -10.660 -1.554 11.742 359 H ILE 50 HN ILE 50 -7.771 -4.143 8.322 360 HA ILE 50 HA ILE 50 -8.042 -2.073 6.416 361 HB ILE 50 HB ILE 50 -6.103 -4.373 6.610 362 HG12 ILE 50 HG12 ILE 50 -5.979 -2.797 8.458 363 HG13 ILE 50 HG11 ILE 50 -4.558 -2.650 7.437 364 HG21 ILE 50 HG21 ILE 50 -4.700 -3.187 5.043 365 HG22 ILE 50 HG22 ILE 50 -5.928 -1.937 4.863 366 HG23 ILE 50 HG23 ILE 50 -6.254 -3.578 4.307 367 HD11 ILE 50 HD11 ILE 50 -5.288 -0.465 8.087 368 HD12 ILE 50 HD12 ILE 50 -6.927 -0.797 7.528 369 HD13 ILE 50 HD13 ILE 50 -5.604 -0.676 6.364 370 H ASP 51 HN ASP 51 -8.932 -2.056 4.482 371 HA ASP 51 HA ASP 51 -10.012 -4.531 3.360 372 HB2 ASP 51 HB2 ASP 51 -10.492 -1.622 2.683 373 HB3 ASP 51 HB1 ASP 51 -11.189 -2.959 1.781 374 H VAL 52 HN VAL 52 -7.705 -1.994 2.749 375 HA VAL 52 HA VAL 52 -6.426 -3.547 0.691 376 HB VAL 52 HB VAL 52 -8.224 -2.354 -0.571 377 HG11 VAL 52 HG11 VAL 52 -8.472 -0.352 0.688 378 HG12 VAL 52 HG12 VAL 52 -7.908 0.098 -0.922 379 HG13 VAL 52 HG13 VAL 52 -6.783 0.085 0.432 380 HG21 VAL 52 HG21 VAL 52 -5.413 -1.469 -1.196 381 HG22 VAL 52 HG22 VAL 52 -6.773 -1.439 -2.321 382 HG23 VAL 52 HG23 VAL 52 -6.171 -2.979 -1.703 383 H ALA 53 HN ALA 53 -4.355 -2.569 0.076 384 HA ALA 53 HA ALA 53 -3.472 -0.419 1.850 385 HB1 ALA 53 HB1 ALA 53 -2.967 -2.518 2.992 386 HB2 ALA 53 HB2 ALA 53 -1.494 -1.676 2.508 387 HB3 ALA 53 HB3 ALA 53 -2.061 -3.067 1.580 388 H VAL 54 HN VAL 54 -1.269 0.332 1.281 389 HA VAL 54 HA VAL 54 -0.452 -0.233 -1.456 390 HB VAL 54 HB VAL 54 -1.939 2.020 -0.880 391 HG11 VAL 54 HG11 VAL 54 0.932 2.900 -1.008 392 HG12 VAL 54 HG12 VAL 54 -0.162 3.084 0.363 393 HG13 VAL 54 HG13 VAL 54 -0.481 3.946 -1.141 394 HG21 VAL 54 HG21 VAL 54 -1.542 0.971 -3.044 395 HG22 VAL 54 HG22 VAL 54 0.062 1.721 -3.095 396 HG23 VAL 54 HG23 VAL 54 -1.390 2.730 -3.090 397 H LEU 55 HN LEU 55 1.722 -0.556 -1.492 398 HA LEU 55 HA LEU 55 3.154 0.142 0.993 399 HB2 LEU 55 HB2 LEU 55 2.913 -2.467 -0.441 400 HB3 LEU 55 HB1 LEU 55 4.376 -2.119 0.449 401 HG LEU 55 HG LEU 55 3.077 -1.924 2.526 402 HD11 LEU 55 HD11 LEU 55 0.733 -2.628 2.572 403 HD12 LEU 55 HD12 LEU 55 0.723 -2.674 0.807 404 HD13 LEU 55 HD13 LEU 55 0.961 -1.140 1.648 405 HD21 LEU 55 HD21 LEU 55 3.993 -4.072 1.989 406 HD22 LEU 55 HD22 LEU 55 2.628 -4.441 0.938 407 HD23 LEU 55 HD23 LEU 55 2.387 -4.302 2.681 408 H ASP 56 HN ASP 56 4.903 1.391 0.601 409 HA ASP 56 HA ASP 56 6.264 1.192 -1.955 410 HB2 ASP 56 HB2 ASP 56 6.108 3.400 -0.861 411 HB3 ASP 56 HB1 ASP 56 7.039 2.788 0.501 412 H VAL 57 HN VAL 57 7.685 -0.262 -2.357 413 HA VAL 57 HA VAL 57 8.739 -2.057 -0.438 414 HB VAL 57 HB VAL 57 9.524 -1.555 -3.322 415 HG11 VAL 57 HG11 VAL 57 10.501 -3.835 -3.230 416 HG12 VAL 57 HG12 VAL 57 10.276 -3.810 -1.481 417 HG13 VAL 57 HG13 VAL 57 11.356 -2.648 -2.245 418 HG21 VAL 57 HG21 VAL 57 7.743 -3.663 -2.113 419 HG22 VAL 57 HG22 VAL 57 8.164 -3.509 -3.820 420 HG23 VAL 57 HG23 VAL 57 7.208 -2.255 -3.030 421 H ASN 58 HN ASN 58 9.792 0.940 -1.827 422 HA ASN 58 HA ASN 58 12.510 0.560 -0.781 423 HB2 ASN 58 HB2 ASN 58 12.138 1.305 -3.175 424 HB3 ASN 58 HB1 ASN 58 11.513 2.817 -2.528 425 HD21 ASN 58 HD21 ASN 58 14.328 0.836 -2.966 426 HD22 ASN 58 HD22 ASN 58 15.488 2.059 -2.599 427 H LEU 59 HN LEU 59 11.115 0.760 1.337 428 HA LEU 59 HA LEU 59 10.411 3.363 2.209 429 HB2 LEU 59 HB2 LEU 59 11.248 0.966 3.848 430 HB3 LEU 59 HB1 LEU 59 10.511 2.420 4.491 431 HG LEU 59 HG LEU 59 9.198 0.460 2.605 432 HD11 LEU 59 HD11 LEU 59 8.688 1.045 5.518 433 HD12 LEU 59 HD12 LEU 59 9.475 -0.399 4.879 434 HD13 LEU 59 HD13 LEU 59 7.781 -0.079 4.506 435 HD21 LEU 59 HD21 LEU 59 8.118 2.952 3.917 436 HD22 LEU 59 HD22 LEU 59 7.166 1.775 3.012 437 HD23 LEU 59 HD23 LEU 59 8.411 2.717 2.195 438 H GLY 60 HN GLY 60 13.359 1.573 2.048 439 HA2 GLY 60 HA2 GLY 60 14.976 3.877 2.161 440 HA3 GLY 60 HA1 GLY 60 15.028 3.053 3.716 441 HA PRO 61 HA PRO 61 18.288 1.137 0.886 442 HB2 PRO 61 HB2 PRO 61 19.638 1.272 3.513 443 HB3 PRO 61 HB1 PRO 61 20.290 1.579 1.905 444 HG2 PRO 61 HG2 PRO 61 19.761 3.593 3.565 445 HG3 PRO 61 HG1 PRO 61 19.432 3.733 1.829 446 HD2 PRO 61 HD2 PRO 61 17.534 3.289 4.087 447 HD3 PRO 61 HD1 PRO 61 17.319 4.228 2.598 448 H LYS 62 HN LYS 62 17.470 0.539 4.293 449 HA LYS 62 HA LYS 62 17.568 -2.349 3.748 450 HB2 LYS 62 HB2 LYS 62 19.017 -1.448 5.572 451 HB3 LYS 62 HB1 LYS 62 17.569 -0.937 6.420 452 HG2 LYS 62 HG2 LYS 62 16.829 -3.267 6.542 453 HG3 LYS 62 HG1 LYS 62 18.305 -3.769 5.720 454 HD2 LYS 62 HD2 LYS 62 18.319 -2.237 8.311 455 HD3 LYS 62 HD1 LYS 62 18.275 -3.996 8.247 456 HE2 LYS 62 HE2 LYS 62 20.541 -3.439 8.526 457 HE3 LYS 62 HE1 LYS 62 20.372 -3.855 6.824 458 HZ1 LYS 62 HZ1 LYS 62 20.307 -1.064 7.825 459 HZ2 LYS 62 HZ2 LYS 62 20.455 -1.580 6.222 460 HZ3 LYS 62 HZ3 LYS 62 21.720 -1.829 7.307 461 H SER 63 HN SER 63 15.577 0.268 4.946 462 HA SER 63 HA SER 63 13.478 -1.323 5.954 463 HB2 SER 63 HB2 SER 63 13.397 1.542 5.000 464 HB3 SER 63 HB1 SER 63 12.220 0.752 6.047 465 HG SER 63 HG SER 63 13.627 1.861 7.360 466 H HIS 64 HN HIS 64 11.916 -2.356 4.961 467 HA HIS 64 HA HIS 64 10.976 -1.483 2.350 468 HB2 HIS 64 HB2 HIS 64 11.233 -3.721 1.348 469 HB3 HIS 64 HB1 HIS 64 12.789 -3.037 1.787 470 HD1 HIS 64 HD1 HIS 64 10.258 -5.412 3.380 471 HD2 HIS 64 HD2 HIS 64 14.355 -4.811 3.087 472 HE1 HIS 64 HE1 HIS 64 11.300 -7.315 4.627 473 HE2 HIS 64 HE2 HIS 64 13.788 -6.984 4.370 474 H CYS 65 HN CYS 65 8.817 -2.111 1.937 475 HA CYS 65 HA CYS 65 7.247 -3.061 4.107 476 HB2 CYS 65 HB2 CYS 65 5.422 -2.976 2.516 477 HB3 CYS 65 HB1 CYS 65 6.447 -1.561 2.299 478 HG CYS 65 HG CYS 65 7.003 -4.259 0.359 479 H GLY 66 HN GLY 66 8.255 -5.071 4.715 480 HA2 GLY 66 HA2 GLY 66 7.986 -7.231 2.718 481 HA3 GLY 66 HA1 GLY 66 9.090 -7.257 4.082 482 HA PRO 67 HA PRO 67 6.247 -9.390 6.725 483 HB2 PRO 67 HB2 PRO 67 6.157 -7.045 8.533 484 HB3 PRO 67 HB1 PRO 67 6.559 -8.721 8.886 485 HG2 PRO 67 HG2 PRO 67 8.436 -6.816 8.750 486 HG3 PRO 67 HG1 PRO 67 8.743 -8.487 8.251 487 HD2 PRO 67 HD2 PRO 67 8.358 -6.059 6.597 488 HD3 PRO 67 HD1 PRO 67 9.288 -7.529 6.266 489 H VAL 68 HN VAL 68 5.554 -6.078 5.844 490 HA VAL 68 HA VAL 68 2.810 -6.053 6.596 491 HB VAL 68 HB VAL 68 4.020 -4.427 4.364 492 HG11 VAL 68 HG11 VAL 68 2.330 -2.802 4.973 493 HG12 VAL 68 HG12 VAL 68 1.771 -3.844 6.282 494 HG13 VAL 68 HG13 VAL 68 1.584 -4.358 4.605 495 HG21 VAL 68 HG21 VAL 68 4.123 -3.884 7.325 496 HG22 VAL 68 HG22 VAL 68 4.540 -2.721 6.067 497 HG23 VAL 68 HG23 VAL 68 5.494 -4.192 6.259 498 H ALA 69 HN ALA 69 4.505 -6.567 3.542 499 HA ALA 69 HA ALA 69 2.308 -7.015 1.887 500 HB1 ALA 69 HB1 ALA 69 3.890 -8.157 0.416 501 HB2 ALA 69 HB2 ALA 69 5.064 -8.226 1.733 502 HB3 ALA 69 HB3 ALA 69 4.583 -6.667 1.060 503 H ASP 70 HN ASP 70 4.311 -9.262 3.715 504 HA ASP 70 HA ASP 70 2.960 -11.627 3.011 505 HB2 ASP 70 HB2 ASP 70 5.190 -11.671 3.963 506 HB3 ASP 70 HB1 ASP 70 4.622 -10.893 5.436 507 H ALA 71 HN ALA 71 2.518 -9.333 5.652 508 HA ALA 71 HA ALA 71 0.591 -10.735 7.143 509 HB1 ALA 71 HB1 ALA 71 0.847 -7.754 6.824 510 HB2 ALA 71 HB2 ALA 71 1.830 -8.740 7.908 511 HB3 ALA 71 HB3 ALA 71 0.087 -8.619 8.162 512 H LEU 72 HN LEU 72 0.252 -8.309 4.587 513 HA LEU 72 HA LEU 72 -2.559 -8.340 4.458 514 HB2 LEU 72 HB2 LEU 72 -0.484 -7.657 2.386 515 HB3 LEU 72 HB1 LEU 72 -2.200 -7.335 2.212 516 HG LEU 72 HG LEU 72 -0.449 -6.180 4.382 517 HD11 LEU 72 HD11 LEU 72 -0.705 -4.085 3.154 518 HD12 LEU 72 HD12 LEU 72 -1.496 -4.970 1.841 519 HD13 LEU 72 HD13 LEU 72 0.190 -5.310 2.250 520 HD21 LEU 72 HD21 LEU 72 -2.737 -6.387 5.101 521 HD22 LEU 72 HD22 LEU 72 -3.316 -5.699 3.587 522 HD23 LEU 72 HD23 LEU 72 -2.412 -4.694 4.722 523 H LYS 73 HN LYS 73 -0.054 -10.114 2.743 524 HA LYS 73 HA LYS 73 -1.642 -11.569 0.996 525 HB2 LYS 73 HB2 LYS 73 1.030 -11.980 2.235 526 HB3 LYS 73 HB1 LYS 73 0.326 -13.278 1.296 527 HG2 LYS 73 HG2 LYS 73 0.529 -10.516 0.177 528 HG3 LYS 73 HG1 LYS 73 1.907 -11.597 0.163 529 HD2 LYS 73 HD2 LYS 73 0.853 -11.814 -1.951 530 HD3 LYS 73 HD1 LYS 73 0.470 -13.271 -1.041 531 HE2 LYS 73 HE2 LYS 73 -1.739 -12.463 -0.568 532 HE3 LYS 73 HE1 LYS 73 -1.367 -10.889 -1.271 533 HZ1 LYS 73 HZ1 LYS 73 -2.647 -12.255 -2.790 534 HZ2 LYS 73 HZ2 LYS 73 -1.477 -13.473 -2.733 535 HZ3 LYS 73 HZ3 LYS 73 -1.104 -11.976 -3.424 536 H GLN 74 HN GLN 74 -0.880 -12.102 4.382 537 HA GLN 74 HA GLN 74 -1.954 -14.699 4.634 538 HB2 GLN 74 HB2 GLN 74 -1.632 -12.463 6.629 539 HB3 GLN 74 HB1 GLN 74 -2.284 -14.034 7.071 540 HG2 GLN 74 HG2 GLN 74 -0.174 -15.069 6.281 541 HG3 GLN 74 HG1 GLN 74 0.465 -13.449 5.999 542 HE21 GLN 74 HE21 GLN 74 -1.646 -14.259 8.668 543 HE22 GLN 74 HE22 GLN 74 -0.465 -14.060 9.912 544 H ARG 75 HN ARG 75 -3.432 -11.503 5.097 545 HA ARG 75 HA ARG 75 -6.008 -12.725 5.657 546 HB2 ARG 75 HB2 ARG 75 -5.219 -9.818 5.466 547 HB3 ARG 75 HB1 ARG 75 -6.779 -10.415 6.007 548 HG2 ARG 75 HG2 ARG 75 -5.677 -11.523 7.903 549 HG3 ARG 75 HG1 ARG 75 -4.130 -10.857 7.369 550 HD2 ARG 75 HD2 ARG 75 -5.012 -8.594 7.624 551 HD3 ARG 75 HD1 ARG 75 -6.565 -9.249 8.136 552 HE ARG 75 HE ARG 75 -4.291 -10.055 9.742 553 HH11 ARG 75 HH11 ARG 75 -6.889 -7.756 9.292 554 HH12 ARG 75 HH12 ARG 75 -6.881 -7.226 10.942 555 HH21 ARG 75 HH21 ARG 75 -4.292 -9.378 11.929 556 HH22 ARG 75 HH22 ARG 75 -5.412 -8.160 12.444 557 H ALA 76 HN ALA 76 -4.396 -12.323 2.944 558 HA ALA 76 HA ALA 76 -4.857 -12.140 0.738 559 HB1 ALA 76 HB1 ALA 76 -7.684 -12.711 1.618 560 HB2 ALA 76 HB2 ALA 76 -6.451 -13.917 1.243 561 HB3 ALA 76 HB3 ALA 76 -7.059 -12.853 -0.026 562 H ILE 77 HN ILE 77 -4.864 -9.738 2.330 563 HA ILE 77 HA ILE 77 -6.945 -8.033 1.277 564 HB ILE 77 HB ILE 77 -4.446 -7.387 2.855 565 HG12 ILE 77 HG12 ILE 77 -7.313 -7.414 3.798 566 HG13 ILE 77 HG11 ILE 77 -6.243 -8.802 3.959 567 HG21 ILE 77 HG21 ILE 77 -5.162 -5.467 1.557 568 HG22 ILE 77 HG22 ILE 77 -5.513 -5.207 3.266 569 HG23 ILE 77 HG23 ILE 77 -6.811 -5.652 2.155 570 HD11 ILE 77 HD11 ILE 77 -4.740 -7.502 5.346 571 HD12 ILE 77 HD12 ILE 77 -6.370 -7.506 6.016 572 HD13 ILE 77 HD13 ILE 77 -5.774 -6.083 5.163 573 HA PRO 78 HA PRO 78 -4.645 -7.098 -2.398 574 HB2 PRO 78 HB2 PRO 78 -6.184 -4.996 -3.210 575 HB3 PRO 78 HB1 PRO 78 -6.574 -6.690 -3.493 576 HG2 PRO 78 HG2 PRO 78 -7.723 -4.783 -1.565 577 HG3 PRO 78 HG1 PRO 78 -8.452 -6.214 -2.302 578 HD2 PRO 78 HD2 PRO 78 -7.468 -6.015 0.301 579 HD3 PRO 78 HD1 PRO 78 -7.853 -7.515 -0.552 580 H PHE 79 HN PHE 79 -3.025 -5.762 -2.916 581 HA PHE 79 HA PHE 79 -2.908 -3.065 -1.929 582 HB2 PHE 79 HB2 PHE 79 -0.732 -3.324 -0.792 583 HB3 PHE 79 HB1 PHE 79 -2.043 -4.152 0.025 584 HD1 PHE 79 HD2 PHE 79 -2.214 -6.625 -0.139 585 HD2 PHE 79 HD1 PHE 79 1.149 -4.469 -1.577 586 HE1 PHE 79 HE2 PHE 79 -0.901 -8.701 -0.156 587 HE2 PHE 79 HE1 PHE 79 2.479 -6.545 -1.600 588 HZ PHE 79 HZ PHE 79 1.467 -8.654 -0.832 589 H ILE 80 HN ILE 80 -1.279 -1.839 -2.893 590 HA ILE 80 HA ILE 80 0.008 -3.153 -5.204 591 HB ILE 80 HB ILE 80 -0.870 -0.267 -5.001 592 HG12 ILE 80 HG12 ILE 80 -1.981 -2.601 -6.564 593 HG13 ILE 80 HG11 ILE 80 -2.789 -1.695 -5.290 594 HG21 ILE 80 HG21 ILE 80 1.162 -0.528 -6.330 595 HG22 ILE 80 HG22 ILE 80 -0.210 -0.095 -7.351 596 HG23 ILE 80 HG23 ILE 80 0.369 -1.762 -7.311 597 HD11 ILE 80 HD11 ILE 80 -3.630 -1.082 -7.473 598 HD12 ILE 80 HD12 ILE 80 -2.004 -0.628 -7.987 599 HD13 ILE 80 HD13 ILE 80 -2.810 0.282 -6.710 600 H LEU 81 HN LEU 81 2.161 -2.831 -5.479 601 HA LEU 81 HA LEU 81 3.549 -1.533 -3.277 602 HB2 LEU 81 HB2 LEU 81 4.622 -3.076 -5.640 603 HB3 LEU 81 HB1 LEU 81 5.604 -2.421 -4.351 604 HG LEU 81 HG LEU 81 5.423 -4.677 -3.819 605 HD11 LEU 81 HD11 LEU 81 3.186 -3.360 -2.293 606 HD12 LEU 81 HD12 LEU 81 4.903 -3.249 -1.909 607 HD13 LEU 81 HD13 LEU 81 4.075 -4.803 -1.806 608 HD21 LEU 81 HD21 LEU 81 2.482 -4.536 -4.463 609 HD22 LEU 81 HD22 LEU 81 3.341 -5.954 -3.865 610 HD23 LEU 81 HD23 LEU 81 3.734 -5.292 -5.450 611 H HIS 82 HN HIS 82 3.739 0.570 -3.435 612 HA HIS 82 HA HIS 82 4.192 1.765 -6.075 613 HB2 HIS 82 HB2 HIS 82 2.268 2.670 -4.860 614 HB3 HIS 82 HB1 HIS 82 3.278 3.028 -3.468 615 HD1 HIS 82 HD1 HIS 82 2.566 5.540 -3.663 616 HD2 HIS 82 HD2 HIS 82 4.666 4.081 -6.937 617 HE1 HIS 82 HE1 HIS 82 3.191 7.556 -5.028 618 HE2 HIS 82 HE2 HIS 82 4.667 6.665 -6.847 619 H THR 83 HN THR 83 6.332 1.070 -6.114 620 HA THR 83 HA THR 83 8.107 2.154 -4.039 621 HB THR 83 HB THR 83 8.052 -0.260 -4.031 622 HG1 THR 83 HG1 THR 83 10.387 -0.558 -4.858 623 HG21 THR 83 HG21 THR 83 8.667 -1.594 -5.967 624 HG22 THR 83 HG22 THR 83 8.859 -0.129 -6.931 625 HG23 THR 83 HG23 THR 83 7.263 -0.584 -6.331 626 H GLY 84 HN GLY 84 10.156 2.915 -4.643 627 HA2 GLY 84 HA2 GLY 84 10.342 3.858 -7.415 628 HA3 GLY 84 HA1 GLY 84 11.279 4.460 -6.054 629 H ASP 85 HN ASP 85 11.209 1.195 -5.770 630 HA ASP 85 HA ASP 85 13.385 0.623 -7.610 631 HB2 ASP 85 HB2 ASP 85 14.623 1.440 -5.744 632 HB3 ASP 85 HB1 ASP 85 13.645 0.522 -4.610 633 H LEU 86 HN LEU 86 13.035 -1.315 -8.470 634 HA LEU 86 HA LEU 86 11.931 -3.409 -6.716 635 HB2 LEU 86 HB2 LEU 86 11.859 -3.330 -9.737 636 HB3 LEU 86 HB1 LEU 86 11.247 -4.625 -8.728 637 HG LEU 86 HG LEU 86 9.610 -2.912 -7.777 638 HD11 LEU 86 HD11 LEU 86 9.087 -1.007 -9.206 639 HD12 LEU 86 HD12 LEU 86 10.458 -1.399 -10.244 640 HD13 LEU 86 HD13 LEU 86 10.731 -0.892 -8.577 641 HD21 LEU 86 HD21 LEU 86 8.884 -4.656 -9.247 642 HD22 LEU 86 HD22 LEU 86 9.490 -3.785 -10.655 643 HD23 LEU 86 HD23 LEU 86 8.116 -3.152 -9.754 644 H ASP 87 HN ASP 87 14.703 -2.220 -7.848 645 HA ASP 87 HA ASP 87 15.929 -4.674 -8.791 646 HB2 ASP 87 HB2 ASP 87 17.035 -1.894 -8.395 647 HB3 ASP 87 HB1 ASP 87 17.980 -3.251 -8.995 648 H ARG 88 HN ARG 88 16.661 -2.324 -6.211 649 HA ARG 88 HA ARG 88 18.643 -3.964 -5.008 650 HB2 ARG 88 HB2 ARG 88 18.231 -1.392 -4.853 651 HB3 ARG 88 HB1 ARG 88 17.184 -1.821 -3.509 652 HG2 ARG 88 HG2 ARG 88 20.022 -2.768 -3.639 653 HG3 ARG 88 HG1 ARG 88 19.607 -1.179 -3.015 654 HD2 ARG 88 HD2 ARG 88 18.137 -2.237 -1.347 655 HD3 ARG 88 HD1 ARG 88 18.605 -3.821 -1.965 656 HE ARG 88 HE ARG 88 20.922 -2.395 -1.279 657 HH11 ARG 88 HH11 ARG 88 18.185 -3.939 0.264 658 HH12 ARG 88 HH12 ARG 88 19.033 -4.256 1.739 659 HH21 ARG 88 HH21 ARG 88 22.046 -2.828 0.656 660 HH22 ARG 88 HH22 ARG 88 21.235 -3.638 1.958 661 H HIS 89 HN HIS 89 15.222 -3.410 -4.371 662 HA HIS 89 HA HIS 89 15.287 -5.561 -2.356 663 HB2 HIS 89 HB2 HIS 89 13.093 -3.581 -3.001 664 HB3 HIS 89 HB1 HIS 89 12.999 -4.826 -1.765 665 HD1 HIS 89 HD1 HIS 89 14.815 -4.528 0.250 666 HD2 HIS 89 HD2 HIS 89 14.057 -1.218 -2.141 667 HE1 HIS 89 HE1 HIS 89 15.588 -2.542 1.579 668 HE2 HIS 89 HE2 HIS 89 15.364 -0.585 0.005 669 H GLY 90 HN GLY 90 15.556 -6.127 -5.163 670 HA2 GLY 90 HA2 GLY 90 13.122 -6.768 -6.417 671 HA3 GLY 90 HA1 GLY 90 14.684 -7.440 -6.829 672 H GLU 91 HN GLU 91 15.091 -8.578 -4.169 673 HA GLU 91 HA GLU 91 13.905 -11.103 -4.580 674 HB2 GLU 91 HB2 GLU 91 16.031 -10.749 -3.362 675 HB3 GLU 91 HB1 GLU 91 15.141 -9.976 -2.059 676 HG2 GLU 91 HG2 GLU 91 13.939 -12.069 -1.653 677 HG3 GLU 91 HG1 GLU 91 14.863 -12.837 -2.940 678 H LEU 92 HN LEU 92 12.914 -8.261 -2.880 679 HA LEU 92 HA LEU 92 11.009 -9.500 -1.171 680 HB2 LEU 92 HB2 LEU 92 12.102 -7.200 -0.917 681 HB3 LEU 92 HB1 LEU 92 10.935 -6.644 -2.100 682 HG LEU 92 HG LEU 92 9.115 -7.433 -0.568 683 HD11 LEU 92 HD11 LEU 92 9.691 -7.819 1.776 684 HD12 LEU 92 HD12 LEU 92 11.404 -7.745 1.368 685 HD13 LEU 92 HD13 LEU 92 10.399 -9.042 0.723 686 HD21 LEU 92 HD21 LEU 92 9.609 -5.569 1.148 687 HD22 LEU 92 HD22 LEU 92 9.432 -5.146 -0.551 688 HD23 LEU 92 HD23 LEU 92 11.043 -5.263 0.160 689 H LEU 93 HN LEU 93 10.824 -7.868 -4.330 690 HA LEU 93 HA LEU 93 8.066 -7.922 -4.681 691 HB2 LEU 93 HB2 LEU 93 10.326 -8.124 -6.662 692 HB3 LEU 93 HB1 LEU 93 8.661 -8.172 -7.165 693 HG LEU 93 HG LEU 93 9.337 -5.987 -7.540 694 HD11 LEU 93 HD11 LEU 93 7.975 -5.883 -4.868 695 HD12 LEU 93 HD12 LEU 93 7.172 -6.273 -6.388 696 HD13 LEU 93 HD13 LEU 93 7.908 -4.685 -6.162 697 HD21 LEU 93 HD21 LEU 93 10.383 -4.595 -5.764 698 HD22 LEU 93 HD22 LEU 93 11.388 -5.910 -6.373 699 HD23 LEU 93 HD23 LEU 93 10.580 -6.068 -4.811 700 H ARG 94 HN ARG 94 10.498 -10.385 -5.241 701 HA ARG 94 HA ARG 94 8.833 -12.255 -6.526 702 HB2 ARG 94 HB2 ARG 94 11.394 -12.661 -4.997 703 HB3 ARG 94 HB1 ARG 94 10.651 -13.842 -6.070 704 HG2 ARG 94 HG2 ARG 94 11.791 -11.161 -6.806 705 HG3 ARG 94 HG1 ARG 94 12.371 -12.752 -7.276 706 HD2 ARG 94 HD2 ARG 94 10.315 -13.140 -8.537 707 HD3 ARG 94 HD1 ARG 94 9.727 -11.553 -8.060 708 HE ARG 94 HE ARG 94 12.254 -11.528 -9.449 709 HH11 ARG 94 HH11 ARG 94 8.771 -11.348 -9.721 710 HH12 ARG 94 HH12 ARG 94 8.798 -10.599 -11.283 711 HH21 ARG 94 HH21 ARG 94 12.298 -10.532 -11.504 712 HH22 ARG 94 HH22 ARG 94 10.810 -10.125 -12.298 713 H LYS 95 HN LYS 95 9.384 -11.524 -3.169 714 HA LYS 95 HA LYS 95 8.123 -13.918 -2.185 715 HB2 LYS 95 HB2 LYS 95 8.703 -11.304 -0.781 716 HB3 LYS 95 HB1 LYS 95 8.192 -12.790 0.004 717 HG2 LYS 95 HG2 LYS 95 10.262 -13.874 -0.637 718 HG3 LYS 95 HG1 LYS 95 10.770 -12.423 -1.509 719 HD2 LYS 95 HD2 LYS 95 10.692 -11.154 0.598 720 HD3 LYS 95 HD1 LYS 95 10.238 -12.624 1.456 721 HE2 LYS 95 HE2 LYS 95 12.798 -12.214 -0.079 722 HE3 LYS 95 HE1 LYS 95 12.631 -12.109 1.671 723 HZ1 LYS 95 HZ1 LYS 95 13.477 -14.252 1.072 724 HZ2 LYS 95 HZ2 LYS 95 12.201 -14.524 0.000 725 HZ3 LYS 95 HZ3 LYS 95 11.905 -14.444 1.660 726 H ILE 96 HN ILE 96 7.214 -10.642 -2.927 727 HA ILE 96 HA ILE 96 4.708 -10.714 -1.571 728 HB ILE 96 HB ILE 96 5.738 -8.755 -3.625 729 HG12 ILE 96 HG12 ILE 96 5.753 -8.581 -0.604 730 HG13 ILE 96 HG11 ILE 96 7.162 -8.950 -1.592 731 HG21 ILE 96 HG21 ILE 96 4.071 -7.239 -2.638 732 HG22 ILE 96 HG22 ILE 96 3.461 -8.579 -1.670 733 HG23 ILE 96 HG23 ILE 96 3.347 -8.638 -3.428 734 HD11 ILE 96 HD11 ILE 96 7.129 -6.621 -0.873 735 HD12 ILE 96 HD12 ILE 96 5.583 -6.391 -1.688 736 HD13 ILE 96 HD13 ILE 96 7.027 -6.760 -2.629 737 H ASP 97 HN ASP 97 5.518 -10.400 -5.042 738 HA ASP 97 HA ASP 97 4.314 -10.772 -6.926 739 HB2 ASP 97 HB2 ASP 97 4.468 -13.116 -6.282 740 HB3 ASP 97 HB1 ASP 97 3.054 -12.948 -5.248 741 H ALA 98 HN ALA 98 3.355 -8.723 -6.735 742 HA ALA 98 HA ALA 98 0.476 -8.776 -6.676 743 HB1 ALA 98 HB1 ALA 98 0.970 -8.543 -4.279 744 HB2 ALA 98 HB2 ALA 98 0.221 -7.082 -4.922 745 HB3 ALA 98 HB3 ALA 98 1.956 -7.124 -4.620 746 HA PRO 99 HA PRO 99 0.897 -5.451 -9.531 747 HB2 PRO 99 HB2 PRO 99 -0.864 -3.690 -7.938 748 HB3 PRO 99 HB1 PRO 99 -1.052 -4.258 -9.595 749 HG2 PRO 99 HG2 PRO 99 -2.571 -5.250 -7.657 750 HG3 PRO 99 HG1 PRO 99 -1.918 -6.300 -8.926 751 HD2 PRO 99 HD2 PRO 99 -0.950 -5.920 -6.119 752 HD3 PRO 99 HD1 PRO 99 -1.160 -7.425 -7.043 753 H VAL 100 HN VAL 100 2.340 -3.872 -9.904 754 HA VAL 100 HA VAL 100 3.341 -2.372 -7.577 755 HB VAL 100 HB VAL 100 5.046 -3.390 -9.860 756 HG11 VAL 100 HG11 VAL 100 6.910 -2.731 -8.329 757 HG12 VAL 100 HG12 VAL 100 5.711 -1.932 -7.314 758 HG13 VAL 100 HG13 VAL 100 5.967 -1.386 -8.970 759 HG21 VAL 100 HG21 VAL 100 4.865 -4.416 -7.030 760 HG22 VAL 100 HG22 VAL 100 6.004 -4.962 -8.260 761 HG23 VAL 100 HG23 VAL 100 4.276 -5.245 -8.471 762 H MET 101 HN MET 101 3.395 -0.245 -7.801 763 HA MET 101 HA MET 101 3.286 0.908 -10.513 764 HB2 MET 101 HB2 MET 101 2.098 1.972 -7.938 765 HB3 MET 101 HB1 MET 101 2.200 2.898 -9.429 766 HG2 MET 101 HG2 MET 101 0.781 1.298 -10.550 767 HG3 MET 101 HG1 MET 101 0.714 0.302 -9.102 768 HE1 MET 101 HE1 MET 101 -1.445 4.300 -9.825 769 HE2 MET 101 HE2 MET 101 -0.632 3.312 -11.042 770 HE3 MET 101 HE3 MET 101 0.317 4.207 -9.856 771 H ALA 102 HN ALA 102 5.261 1.555 -10.988 772 HA ALA 102 HA ALA 102 7.281 2.066 -9.080 773 HB1 ALA 102 HB1 ALA 102 8.648 2.708 -10.992 774 HB2 ALA 102 HB2 ALA 102 7.210 2.766 -12.012 775 HB3 ALA 102 HB3 ALA 102 7.748 1.231 -11.331 776 H LYS 103 HN LYS 103 8.383 4.002 -8.621 777 HA LYS 103 HA LYS 103 6.681 6.365 -8.665 778 HB2 LYS 103 HB2 LYS 103 9.275 5.740 -7.248 779 HB3 LYS 103 HB1 LYS 103 8.519 7.326 -7.203 780 HG2 LYS 103 HG2 LYS 103 6.522 6.331 -6.186 781 HG3 LYS 103 HG1 LYS 103 7.313 4.756 -6.205 782 HD2 LYS 103 HD2 LYS 103 8.950 5.461 -4.635 783 HD3 LYS 103 HD1 LYS 103 8.477 7.154 -4.801 784 HE2 LYS 103 HE2 LYS 103 6.350 6.714 -3.759 785 HE3 LYS 103 HE1 LYS 103 6.685 4.984 -3.722 786 HZ1 LYS 103 HZ1 LYS 103 7.014 6.174 -1.573 787 HZ2 LYS 103 HZ2 LYS 103 8.331 6.990 -2.272 788 HZ3 LYS 103 HZ3 LYS 103 8.366 5.301 -2.102 789 HA PRO 104 HA PRO 104 6.907 8.529 -8.451 790 HB2 PRO 104 HB2 PRO 104 6.181 10.347 -10.555 791 HB3 PRO 104 HB1 PRO 104 7.056 10.692 -9.066 792 HG2 PRO 104 HG2 PRO 104 8.174 10.819 -11.564 793 HG3 PRO 104 HG1 PRO 104 9.092 10.524 -10.078 794 HD2 PRO 104 HD2 PRO 104 8.144 8.578 -12.141 795 HD3 PRO 104 HD1 PRO 104 9.680 8.623 -11.252 796 H ALA 105 HN ALA 105 4.648 8.746 -8.402 797 HA ALA 105 HA ALA 105 3.046 7.906 -10.667 798 HB1 ALA 105 HB1 ALA 105 2.999 6.341 -8.081 799 HB2 ALA 105 HB2 ALA 105 3.651 5.758 -9.620 800 HB3 ALA 105 HB3 ALA 105 1.924 6.102 -9.468 801 H ASP 106 HN ASP 106 1.140 8.983 -10.614 802 HA ASP 106 HA ASP 106 0.749 10.913 -8.555 803 HB2 ASP 106 HB2 ASP 106 -0.014 11.353 -10.853 804 HB3 ASP 106 HB1 ASP 106 -1.185 10.041 -10.715 805 H THR 107 HN THR 107 -0.383 10.833 -6.795 806 HA THR 107 HA THR 107 -0.868 8.361 -5.632 807 HB THR 107 HB THR 107 -1.968 9.751 -3.815 808 HG1 THR 107 HG1 THR 107 -1.904 11.977 -4.075 809 HG21 THR 107 HG21 THR 107 0.420 9.138 -3.846 810 HG22 THR 107 HG22 THR 107 0.160 10.739 -3.144 811 HG23 THR 107 HG23 THR 107 0.765 10.588 -4.795 812 H SER 108 HN SER 108 -3.043 10.493 -7.360 813 HA SER 108 HA SER 108 -5.461 9.328 -6.498 814 HB2 SER 108 HB2 SER 108 -5.187 10.337 -9.297 815 HB3 SER 108 HB1 SER 108 -6.479 10.604 -8.126 816 HG SER 108 HG SER 108 -4.119 11.994 -8.525 817 H ASP 109 HN ASP 109 -3.295 8.623 -9.229 818 HA ASP 109 HA ASP 109 -4.815 6.529 -10.355 819 HB2 ASP 109 HB2 ASP 109 -1.848 7.102 -10.421 820 HB3 ASP 109 HB1 ASP 109 -2.589 5.781 -11.317 821 H VAL 110 HN VAL 110 -2.211 6.583 -8.003 822 HA VAL 110 HA VAL 110 -1.955 3.831 -7.599 823 HB VAL 110 HB VAL 110 -1.571 5.948 -5.471 824 HG11 VAL 110 HG11 VAL 110 -0.156 3.322 -5.906 825 HG12 VAL 110 HG12 VAL 110 -1.491 3.563 -4.783 826 HG13 VAL 110 HG13 VAL 110 0.032 4.422 -4.539 827 HG21 VAL 110 HG21 VAL 110 0.730 6.148 -6.275 828 HG22 VAL 110 HG22 VAL 110 -0.431 6.639 -7.513 829 HG23 VAL 110 HG23 VAL 110 0.361 5.063 -7.615 830 H ALA 111 HN ALA 111 -4.029 6.223 -6.036 831 HA ALA 111 HA ALA 111 -5.166 4.500 -4.116 832 HB1 ALA 111 HB1 ALA 111 -6.844 6.234 -3.819 833 HB2 ALA 111 HB2 ALA 111 -6.333 7.008 -5.319 834 HB3 ALA 111 HB3 ALA 111 -5.234 6.944 -3.940 835 H LYS 112 HN LYS 112 -6.353 5.586 -7.292 836 HA LYS 112 HA LYS 112 -8.812 4.242 -7.210 837 HB2 LYS 112 HB2 LYS 112 -7.160 4.885 -9.660 838 HB3 LYS 112 HB1 LYS 112 -8.887 4.553 -9.627 839 HG2 LYS 112 HG2 LYS 112 -9.259 6.569 -8.314 840 HG3 LYS 112 HG1 LYS 112 -7.525 6.897 -8.316 841 HD2 LYS 112 HD2 LYS 112 -8.082 8.179 -10.094 842 HD3 LYS 112 HD1 LYS 112 -7.924 6.647 -10.950 843 HE2 LYS 112 HE2 LYS 112 -9.969 7.661 -11.641 844 HE3 LYS 112 HE1 LYS 112 -10.368 6.289 -10.609 845 HZ1 LYS 112 HZ1 LYS 112 -10.313 9.133 -9.757 846 HZ2 LYS 112 HZ2 LYS 112 -10.711 7.820 -8.765 847 HZ3 LYS 112 HZ3 LYS 112 -11.705 8.229 -10.073 848 H ARG 113 HN ARG 113 -5.643 3.208 -8.384 849 HA ARG 113 HA ARG 113 -6.589 0.767 -9.504 850 HB2 ARG 113 HB2 ARG 113 -3.803 1.647 -8.777 851 HB3 ARG 113 HB1 ARG 113 -4.188 0.178 -9.668 852 HG2 ARG 113 HG2 ARG 113 -4.805 2.991 -10.546 853 HG3 ARG 113 HG1 ARG 113 -3.518 1.963 -11.158 854 HD2 ARG 113 HD2 ARG 113 -5.053 0.448 -12.128 855 HD3 ARG 113 HD1 ARG 113 -6.413 1.190 -11.291 856 HE ARG 113 HE ARG 113 -5.087 3.047 -12.996 857 HH11 ARG 113 HH11 ARG 113 -7.314 0.349 -12.998 858 HH12 ARG 113 HH12 ARG 113 -8.166 0.884 -14.408 859 HH21 ARG 113 HH21 ARG 113 -6.205 3.762 -14.863 860 HH22 ARG 113 HH22 ARG 113 -7.535 2.827 -15.472 861 H ALA 114 HN ALA 114 -5.454 1.717 -6.349 862 HA ALA 114 HA ALA 114 -5.171 -0.970 -5.381 863 HB1 ALA 114 HB1 ALA 114 -3.894 0.794 -4.323 864 HB2 ALA 114 HB2 ALA 114 -5.027 0.112 -3.148 865 HB3 ALA 114 HB3 ALA 114 -5.376 1.660 -3.916 866 H LEU 115 HN LEU 115 -7.591 1.598 -5.050 867 HA LEU 115 HA LEU 115 -9.336 0.177 -3.375 868 HB2 LEU 115 HB2 LEU 115 -9.774 2.524 -5.189 869 HB3 LEU 115 HB1 LEU 115 -11.008 1.897 -4.112 870 HG LEU 115 HG LEU 115 -8.325 2.978 -3.253 871 HD11 LEU 115 HD11 LEU 115 -11.093 4.127 -3.054 872 HD12 LEU 115 HD12 LEU 115 -9.765 4.739 -4.039 873 HD13 LEU 115 HD13 LEU 115 -9.658 4.792 -2.278 874 HD21 LEU 115 HD21 LEU 115 -9.117 1.223 -1.774 875 HD22 LEU 115 HD22 LEU 115 -10.679 2.022 -1.632 876 HD23 LEU 115 HD23 LEU 115 -9.231 2.795 -0.989 877 H GLU 116 HN GLU 116 -8.964 0.086 -6.851 878 HA GLU 116 HA GLU 116 -11.587 -0.957 -7.308 879 HB2 GLU 116 HB2 GLU 116 -10.845 -1.404 -9.587 880 HB3 GLU 116 HB1 GLU 116 -10.443 0.224 -9.087 881 HG2 GLU 116 HG2 GLU 116 -8.488 -0.276 -10.053 882 HG3 GLU 116 HG1 GLU 116 -8.145 -1.002 -8.483 883 H MET 117 HN MET 117 -8.536 -2.348 -6.449 884 HA MET 117 HA MET 117 -9.164 -5.027 -7.103 885 HB2 MET 117 HB2 MET 117 -7.226 -3.866 -5.102 886 HB3 MET 117 HB1 MET 117 -7.350 -5.578 -5.456 887 HG2 MET 117 HG2 MET 117 -6.915 -4.947 -7.877 888 HG3 MET 117 HG1 MET 117 -6.448 -3.367 -7.259 889 HE1 MET 117 HE1 MET 117 -4.457 -2.953 -5.626 890 HE2 MET 117 HE2 MET 117 -3.349 -4.201 -5.050 891 HE3 MET 117 HE3 MET 117 -5.016 -4.164 -4.472 892 H CYS 118 HN CYS 118 -9.715 -3.029 -4.245 893 HA CYS 118 HA CYS 118 -11.040 -5.250 -2.907 894 HB2 CYS 118 HB2 CYS 118 -11.256 -3.649 -1.026 895 HB3 CYS 118 HB1 CYS 118 -9.591 -3.880 -1.530 896 HG CYS 118 HG CYS 118 -11.573 -1.160 -2.138 897 H GLY 119 HN GLY 119 -11.940 -3.525 -5.344 898 HA2 GLY 119 HA2 GLY 119 -14.385 -2.308 -4.391 899 HA3 GLY 119 HA1 GLY 119 -13.835 -2.389 -6.059 900 H GLY 120 HN GLY 120 -14.587 -4.831 -3.590 901 HA2 GLY 120 HA2 GLY 120 -16.731 -5.843 -5.313 902 HA3 GLY 120 HA1 GLY 120 -15.430 -6.944 -4.878 903 H ASP 121 HN ASP 121 -15.075 -7.365 -2.598 904 HA ASP 121 HA ASP 121 -17.094 -6.623 -0.695 905 HB2 ASP 121 HB2 ASP 121 -18.099 -8.757 -0.337 906 HB3 ASP 121 HB1 ASP 121 -18.188 -8.455 -2.067 907 H LYS 122 HN LYS 122 -16.659 -7.561 1.433 908 HA LYS 122 HA LYS 122 -13.846 -7.654 1.963 909 HB2 LYS 122 HB2 LYS 122 -16.240 -8.035 3.755 910 HB3 LYS 122 HB1 LYS 122 -14.577 -7.974 4.321 911 HG2 LYS 122 HG2 LYS 122 -14.352 -5.700 3.615 912 HG3 LYS 122 HG1 LYS 122 -15.930 -5.744 2.820 913 HD2 LYS 122 HD2 LYS 122 -17.016 -6.089 4.959 914 HD3 LYS 122 HD1 LYS 122 -15.450 -6.128 5.766 915 HE2 LYS 122 HE2 LYS 122 -16.384 -3.752 4.182 916 HE3 LYS 122 HE1 LYS 122 -16.770 -3.954 5.888 917 HZ1 LYS 122 HZ1 LYS 122 -14.822 -2.605 5.665 918 HZ2 LYS 122 HZ2 LYS 122 -14.051 -3.760 4.696 919 HZ3 LYS 122 HZ3 LYS 122 -14.365 -4.092 6.329 920 H GLU 123 HN GLU 123 -12.710 -9.462 1.548 921 HA GLU 123 HA GLU 123 -13.914 -12.051 1.509 922 HB2 GLU 123 HB2 GLU 123 -11.869 -11.276 0.174 923 HB3 GLU 123 HB1 GLU 123 -10.954 -11.500 1.659 924 HG2 GLU 123 HG2 GLU 123 -11.669 -13.854 1.713 925 HG3 GLU 123 HG1 GLU 123 -12.503 -13.612 0.180 926 HA PRO 124 HA PRO 124 -13.835 -12.599 5.901 927 HB2 PRO 124 HB2 PRO 124 -14.423 -15.264 5.938 928 HB3 PRO 124 HB1 PRO 124 -15.626 -13.999 5.659 929 HG2 PRO 124 HG2 PRO 124 -14.202 -15.730 3.678 930 HG3 PRO 124 HG1 PRO 124 -15.907 -15.248 3.721 931 HD2 PRO 124 HD2 PRO 124 -14.117 -14.059 2.090 932 HD3 PRO 124 HD1 PRO 124 -15.474 -13.172 2.812 933 H ALA 125 HN ALA 125 -11.642 -12.271 6.321 934 HA ALA 125 HA ALA 125 -9.996 -14.709 6.371 935 HB1 ALA 125 HB1 ALA 125 -9.022 -12.839 5.104 936 HB2 ALA 125 HB2 ALA 125 -8.054 -13.252 6.520 937 HB3 ALA 125 HB3 ALA 125 -9.100 -11.832 6.550 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 -25.030 -0.051 10.251 2 H2 GLY 1 HT2 GLY 1 -25.448 1.114 9.100 3 H3 GLY 1 HT3 GLY 1 -25.479 1.503 10.742 4 HA2 GLY 1 HA1 GLY 1 -23.084 1.211 10.886 5 HA3 GLY 1 HA2 GLY 1 -23.058 0.823 9.171 6 H ALA 2 HN ALA 2 -21.536 2.894 10.204 7 HA ALA 2 HA ALA 2 -23.020 5.359 9.755 8 HB1 ALA 2 HB1 ALA 2 -21.502 5.200 11.679 9 HB2 ALA 2 HB2 ALA 2 -21.046 6.496 10.574 10 HB3 ALA 2 HB3 ALA 2 -20.146 4.980 10.573 11 H MET 3 HN MET 3 -20.767 3.298 8.127 12 HA MET 3 HA MET 3 -20.865 4.961 5.767 13 HB2 MET 3 HB2 MET 3 -18.416 5.179 5.568 14 HB3 MET 3 HB1 MET 3 -19.041 6.028 6.976 15 HG2 MET 3 HG2 MET 3 -18.345 4.178 8.406 16 HG3 MET 3 HG1 MET 3 -17.727 3.319 6.997 17 HE1 MET 3 HE1 MET 3 -16.011 3.899 9.630 18 HE2 MET 3 HE2 MET 3 -14.472 4.357 8.903 19 HE3 MET 3 HE3 MET 3 -15.403 3.021 8.228 20 H GLY 4 HN GLY 4 -19.538 3.970 3.978 21 HA2 GLY 4 HA2 GLY 4 -19.119 1.079 4.329 22 HA3 GLY 4 HA1 GLY 4 -20.101 1.665 2.991 23 H MET 5 HN MET 5 -17.093 2.866 4.413 24 HA MET 5 HA MET 5 -15.941 2.946 1.724 25 HB2 MET 5 HB2 MET 5 -14.569 4.747 2.432 26 HB3 MET 5 HB1 MET 5 -16.203 5.097 2.975 27 HG2 MET 5 HG2 MET 5 -15.653 4.358 5.191 28 HG3 MET 5 HG1 MET 5 -14.037 3.913 4.664 29 HE1 MET 5 HE1 MET 5 -16.577 6.864 5.051 30 HE2 MET 5 HE2 MET 5 -15.955 7.137 3.422 31 HE3 MET 5 HE3 MET 5 -15.566 8.269 4.716 32 HA PRO 6 HA PRO 6 -12.899 0.012 2.839 33 HB2 PRO 6 HB2 PRO 6 -10.820 0.938 1.245 34 HB3 PRO 6 HB1 PRO 6 -12.102 -0.162 0.749 35 HG2 PRO 6 HG2 PRO 6 -11.674 2.580 -0.018 36 HG3 PRO 6 HG1 PRO 6 -12.867 1.429 -0.630 37 HD2 PRO 6 HD2 PRO 6 -13.249 3.635 1.181 38 HD3 PRO 6 HD1 PRO 6 -14.458 2.572 0.457 39 H LYS 7 HN LYS 7 -11.210 -0.349 4.158 40 HA LYS 7 HA LYS 7 -9.939 1.964 5.422 41 HB2 LYS 7 HB2 LYS 7 -10.975 0.069 6.748 42 HB3 LYS 7 HB1 LYS 7 -9.685 -0.960 6.147 43 HG2 LYS 7 HG2 LYS 7 -9.108 -0.242 8.337 44 HG3 LYS 7 HG1 LYS 7 -8.051 0.599 7.199 45 HD2 LYS 7 HD2 LYS 7 -9.386 2.599 7.372 46 HD3 LYS 7 HD1 LYS 7 -10.565 1.767 8.386 47 HE2 LYS 7 HE2 LYS 7 -8.721 1.386 10.041 48 HE3 LYS 7 HE1 LYS 7 -7.710 2.442 9.059 49 HZ1 LYS 7 HZ1 LYS 7 -10.290 3.233 10.292 50 HZ2 LYS 7 HZ2 LYS 7 -9.234 4.243 9.440 51 HZ3 LYS 7 HZ3 LYS 7 -8.765 3.594 10.924 52 H VAL 8 HN VAL 8 -8.180 2.660 4.402 53 HA VAL 8 HA VAL 8 -6.559 0.767 2.859 54 HB VAL 8 HB VAL 8 -6.577 3.789 2.800 55 HG11 VAL 8 HG11 VAL 8 -5.292 1.820 0.913 56 HG12 VAL 8 HG12 VAL 8 -4.444 2.817 2.096 57 HG13 VAL 8 HG13 VAL 8 -5.293 3.577 0.749 58 HG21 VAL 8 HG21 VAL 8 -7.817 1.826 0.872 59 HG22 VAL 8 HG22 VAL 8 -7.807 3.583 0.708 60 HG23 VAL 8 HG23 VAL 8 -8.698 2.825 2.028 61 H LEU 9 HN LEU 9 -4.518 0.286 3.419 62 HA LEU 9 HA LEU 9 -3.281 1.832 5.591 63 HB2 LEU 9 HB2 LEU 9 -3.563 -0.496 6.151 64 HB3 LEU 9 HB1 LEU 9 -2.803 -0.995 4.653 65 HG LEU 9 HG LEU 9 -0.658 -0.125 5.416 66 HD11 LEU 9 HD11 LEU 9 -2.118 0.600 7.955 67 HD12 LEU 9 HD12 LEU 9 -1.514 1.743 6.754 68 HD13 LEU 9 HD13 LEU 9 -0.384 0.748 7.673 69 HD21 LEU 9 HD21 LEU 9 -0.294 -1.662 7.311 70 HD22 LEU 9 HD22 LEU 9 -1.159 -2.410 5.969 71 HD23 LEU 9 HD23 LEU 9 -2.038 -1.906 7.413 72 H VAL 10 HN VAL 10 -1.846 3.273 4.909 73 HA VAL 10 HA VAL 10 -0.427 2.796 2.403 74 HB VAL 10 HB VAL 10 -0.811 5.275 4.069 75 HG11 VAL 10 HG11 VAL 10 1.006 4.974 1.675 76 HG12 VAL 10 HG12 VAL 10 1.535 5.228 3.338 77 HG13 VAL 10 HG13 VAL 10 0.619 6.483 2.504 78 HG21 VAL 10 HG21 VAL 10 -1.773 6.124 1.983 79 HG22 VAL 10 HG22 VAL 10 -2.594 4.661 2.530 80 HG23 VAL 10 HG23 VAL 10 -1.430 4.576 1.202 81 H LEU 11 HN LEU 11 1.450 1.934 2.410 82 HA LEU 11 HA LEU 11 3.261 2.268 4.691 83 HB2 LEU 11 HB2 LEU 11 2.799 0.150 2.758 84 HB3 LEU 11 HB1 LEU 11 4.489 0.617 2.802 85 HG LEU 11 HG LEU 11 4.200 -1.232 4.294 86 HD11 LEU 11 HD11 LEU 11 5.688 0.557 5.083 87 HD12 LEU 11 HD12 LEU 11 4.886 -0.253 6.429 88 HD13 LEU 11 HD13 LEU 11 4.336 1.340 5.902 89 HD21 LEU 11 HD21 LEU 11 1.742 -0.922 4.530 90 HD22 LEU 11 HD22 LEU 11 2.042 0.418 5.640 91 HD23 LEU 11 HD23 LEU 11 2.554 -1.213 6.064 92 H GLU 12 HN GLU 12 4.268 4.126 4.452 93 HA GLU 12 HA GLU 12 5.900 4.606 2.131 94 HB2 GLU 12 HB2 GLU 12 3.742 5.432 1.309 95 HB3 GLU 12 HB1 GLU 12 3.567 6.439 2.739 96 HG2 GLU 12 HG2 GLU 12 4.247 7.706 0.770 97 HG3 GLU 12 HG1 GLU 12 5.444 7.786 2.057 98 H ASP 13 HN ASP 13 7.730 5.302 2.969 99 HA ASP 13 HA ASP 13 7.768 6.423 5.628 100 HB2 ASP 13 HB2 ASP 13 9.484 4.787 4.881 101 HB3 ASP 13 HB1 ASP 13 10.076 5.975 3.728 102 H GLU 14 HN GLU 14 7.780 7.573 2.385 103 HA GLU 14 HA GLU 14 8.813 10.197 3.059 104 HB2 GLU 14 HB2 GLU 14 7.390 9.226 0.563 105 HB3 GLU 14 HB1 GLU 14 8.172 10.789 0.745 106 HG2 GLU 14 HG2 GLU 14 10.327 9.627 1.085 107 HG3 GLU 14 HG1 GLU 14 9.511 8.095 0.773 108 HA PRO 15 HA PRO 15 4.794 11.100 4.898 109 HB2 PRO 15 HB2 PRO 15 6.015 13.756 5.198 110 HB3 PRO 15 HB1 PRO 15 5.268 12.720 6.412 111 HG2 PRO 15 HG2 PRO 15 7.920 13.032 6.325 112 HG3 PRO 15 HG1 PRO 15 7.193 11.463 6.715 113 HD2 PRO 15 HD2 PRO 15 8.416 12.399 4.154 114 HD3 PRO 15 HD1 PRO 15 8.524 10.812 4.943 115 H LEU 16 HN LEU 16 6.453 13.069 2.503 116 HA LEU 16 HA LEU 16 4.292 14.706 1.772 117 HB2 LEU 16 HB2 LEU 16 6.858 14.666 1.087 118 HB3 LEU 16 HB1 LEU 16 6.241 13.766 -0.280 119 HG LEU 16 HG LEU 16 5.411 16.558 0.502 120 HD11 LEU 16 HD11 LEU 16 6.569 17.214 -1.554 121 HD12 LEU 16 HD12 LEU 16 7.110 15.550 -1.771 122 HD13 LEU 16 HD13 LEU 16 7.666 16.485 -0.382 123 HD21 LEU 16 HD21 LEU 16 4.251 16.569 -1.663 124 HD22 LEU 16 HD22 LEU 16 3.571 15.405 -0.524 125 HD23 LEU 16 HD23 LEU 16 4.610 14.851 -1.841 126 H ILE 17 HN ILE 17 5.452 11.646 0.391 127 HA ILE 17 HA ILE 17 3.317 11.348 -1.453 128 HB ILE 17 HB ILE 17 5.228 9.309 -0.303 129 HG12 ILE 17 HG12 ILE 17 5.248 10.910 -2.858 130 HG13 ILE 17 HG11 ILE 17 6.348 11.063 -1.509 131 HG21 ILE 17 HG21 ILE 17 3.269 9.114 -2.566 132 HG22 ILE 17 HG22 ILE 17 3.399 8.081 -1.135 133 HG23 ILE 17 HG23 ILE 17 4.647 8.034 -2.381 134 HD11 ILE 17 HD11 ILE 17 6.104 8.675 -3.299 135 HD12 ILE 17 HD12 ILE 17 7.221 8.847 -1.945 136 HD13 ILE 17 HD13 ILE 17 7.377 9.892 -3.356 137 H ALA 18 HN ALA 18 3.937 9.997 1.779 138 HA ALA 18 HA ALA 18 1.709 8.346 1.994 139 HB1 ALA 18 HB1 ALA 18 2.997 9.980 4.185 140 HB2 ALA 18 HB2 ALA 18 3.534 8.393 3.633 141 HB3 ALA 18 HB3 ALA 18 1.962 8.570 4.410 142 H MET 19 HN MET 19 2.061 11.773 2.776 143 HA MET 19 HA MET 19 -0.536 12.294 3.628 144 HB2 MET 19 HB2 MET 19 1.338 13.796 3.995 145 HB3 MET 19 HB1 MET 19 1.505 14.037 2.260 146 HG2 MET 19 HG2 MET 19 -0.765 15.015 2.250 147 HG3 MET 19 HG1 MET 19 -0.759 14.924 4.009 148 HE1 MET 19 HE1 MET 19 2.288 17.414 1.602 149 HE2 MET 19 HE2 MET 19 1.098 16.337 0.873 150 HE3 MET 19 HE3 MET 19 2.420 15.673 1.830 151 H ASN 20 HN ASN 20 0.940 12.527 0.409 152 HA ASN 20 HA ASN 20 -1.313 13.604 -0.887 153 HB2 ASN 20 HB2 ASN 20 1.315 12.541 -1.627 154 HB3 ASN 20 HB1 ASN 20 0.093 12.335 -2.855 155 HD21 ASN 20 HD21 ASN 20 1.919 14.574 -1.010 156 HD22 ASN 20 HD22 ASN 20 1.582 15.960 -1.979 157 H LEU 21 HN LEU 21 -0.139 10.272 -0.534 158 HA LEU 21 HA LEU 21 -2.186 9.014 -1.981 159 HB2 LEU 21 HB2 LEU 21 -0.426 8.142 0.290 160 HB3 LEU 21 HB1 LEU 21 -1.626 7.075 -0.399 161 HG LEU 21 HG LEU 21 0.548 8.357 -2.037 162 HD11 LEU 21 HD11 LEU 21 1.559 6.964 -0.301 163 HD12 LEU 21 HD12 LEU 21 1.728 6.235 -1.898 164 HD13 LEU 21 HD13 LEU 21 0.518 5.620 -0.772 165 HD21 LEU 21 HD21 LEU 21 -1.192 5.951 -2.520 166 HD22 LEU 21 HD22 LEU 21 -0.036 6.665 -3.646 167 HD23 LEU 21 HD23 LEU 21 -1.487 7.558 -3.185 168 H GLN 22 HN GLN 22 -1.891 9.892 1.420 169 HA GLN 22 HA GLN 22 -4.250 8.787 2.378 170 HB2 GLN 22 HB2 GLN 22 -2.267 10.008 3.567 171 HB3 GLN 22 HB1 GLN 22 -3.265 11.439 3.357 172 HG2 GLN 22 HG2 GLN 22 -5.084 10.300 4.570 173 HG3 GLN 22 HG1 GLN 22 -4.000 8.938 4.845 174 HE21 GLN 22 HE21 GLN 22 -5.260 10.535 6.829 175 HE22 GLN 22 HE22 GLN 22 -4.001 11.274 7.749 176 H TYR 23 HN TYR 23 -3.666 12.071 1.113 177 HA TYR 23 HA TYR 23 -6.340 12.930 1.235 178 HB2 TYR 23 HB2 TYR 23 -3.965 13.805 -0.378 179 HB3 TYR 23 HB1 TYR 23 -5.549 14.509 -0.667 180 HD1 TYR 23 HD2 TYR 23 -6.769 15.274 1.610 181 HD2 TYR 23 HD1 TYR 23 -2.568 14.949 1.046 182 HE1 TYR 23 HE2 TYR 23 -6.404 16.867 3.448 183 HE2 TYR 23 HE1 TYR 23 -2.195 16.540 2.880 184 HH TYR 23 HH TYR 23 -4.630 17.452 5.048 185 H ALA 24 HN ALA 24 -4.593 11.052 -1.158 186 HA ALA 24 HA ALA 24 -6.465 11.415 -3.269 187 HB1 ALA 24 HB1 ALA 24 -5.291 9.585 -4.371 188 HB2 ALA 24 HB2 ALA 24 -4.443 9.212 -2.869 189 HB3 ALA 24 HB3 ALA 24 -4.154 10.747 -3.689 190 H PHE 25 HN PHE 25 -5.881 8.721 -1.013 191 HA PHE 25 HA PHE 25 -8.052 7.161 -1.890 192 HB2 PHE 25 HB2 PHE 25 -6.445 7.215 0.645 193 HB3 PHE 25 HB1 PHE 25 -7.820 6.135 0.468 194 HD1 PHE 25 HD2 PHE 25 -7.800 4.403 -1.300 195 HD2 PHE 25 HD1 PHE 25 -4.362 6.734 -0.380 196 HE1 PHE 25 HE2 PHE 25 -6.384 2.749 -2.434 197 HE2 PHE 25 HE1 PHE 25 -2.935 5.078 -1.521 198 HZ PHE 25 HZ PHE 25 -3.948 3.085 -2.546 199 H GLU 26 HN GLU 26 -7.778 9.575 0.708 200 HA GLU 26 HA GLU 26 -10.416 9.272 1.657 201 HB2 GLU 26 HB2 GLU 26 -8.518 11.610 1.766 202 HB3 GLU 26 HB1 GLU 26 -10.102 11.634 2.527 203 HG2 GLU 26 HG2 GLU 26 -9.353 9.522 3.745 204 HG3 GLU 26 HG1 GLU 26 -7.729 9.932 3.196 205 H ASP 27 HN ASP 27 -9.051 11.075 -1.005 206 HA ASP 27 HA ASP 27 -11.392 12.590 -1.586 207 HB2 ASP 27 HB2 ASP 27 -9.131 13.260 -2.325 208 HB3 ASP 27 HB1 ASP 27 -9.101 11.873 -3.403 209 H GLU 28 HN GLU 28 -10.283 9.391 -2.397 210 HA GLU 28 HA GLU 28 -12.293 9.007 -4.440 211 HB2 GLU 28 HB2 GLU 28 -10.534 6.974 -3.056 212 HB3 GLU 28 HB1 GLU 28 -11.541 6.666 -4.461 213 HG2 GLU 28 HG2 GLU 28 -9.107 8.419 -4.303 214 HG3 GLU 28 HG1 GLU 28 -9.284 6.902 -5.177 215 H GLY 29 HN GLY 29 -12.252 9.045 -1.101 216 HA2 GLY 29 HA2 GLY 29 -14.231 8.883 0.184 217 HA3 GLY 29 HA1 GLY 29 -14.887 7.783 -1.017 218 H ALA 30 HN ALA 30 -11.879 7.800 0.882 219 HA ALA 30 HA ALA 30 -12.714 5.291 2.143 220 HB1 ALA 30 HB1 ALA 30 -10.560 4.253 1.677 221 HB2 ALA 30 HB2 ALA 30 -10.052 5.681 0.774 222 HB3 ALA 30 HB3 ALA 30 -11.380 4.685 0.176 223 H GLU 31 HN GLU 31 -11.203 4.682 3.926 224 HA GLU 31 HA GLU 31 -10.190 7.078 5.304 225 HB2 GLU 31 HB2 GLU 31 -11.956 5.787 6.478 226 HB3 GLU 31 HB1 GLU 31 -10.910 4.373 6.451 227 HG2 GLU 31 HG2 GLU 31 -10.837 5.461 8.607 228 HG3 GLU 31 HG1 GLU 31 -9.272 5.549 7.812 229 H VAL 32 HN VAL 32 -8.060 7.034 6.169 230 HA VAL 32 HA VAL 32 -6.390 4.914 4.960 231 HB VAL 32 HB VAL 32 -5.608 7.824 5.053 232 HG11 VAL 32 HG11 VAL 32 -3.858 7.140 3.484 233 HG12 VAL 32 HG12 VAL 32 -4.428 5.473 3.578 234 HG13 VAL 32 HG13 VAL 32 -3.744 6.252 5.004 235 HG21 VAL 32 HG21 VAL 32 -6.075 7.950 2.682 236 HG22 VAL 32 HG22 VAL 32 -7.540 7.526 3.571 237 HG23 VAL 32 HG23 VAL 32 -6.653 6.281 2.685 238 H VAL 33 HN VAL 33 -4.859 4.065 6.210 239 HA VAL 33 HA VAL 33 -4.044 5.495 8.649 240 HB VAL 33 HB VAL 33 -3.469 2.622 7.967 241 HG11 VAL 33 HG11 VAL 33 -3.257 4.151 10.556 242 HG12 VAL 33 HG12 VAL 33 -1.910 3.663 9.528 243 HG13 VAL 33 HG13 VAL 33 -2.893 2.439 10.334 244 HG21 VAL 33 HG21 VAL 33 -5.215 1.988 9.533 245 HG22 VAL 33 HG22 VAL 33 -5.883 2.935 8.202 246 HG23 VAL 33 HG23 VAL 33 -5.628 3.686 9.778 247 H VAL 34 HN VAL 34 -1.985 6.262 8.764 248 HA VAL 34 HA VAL 34 -0.257 5.691 6.461 249 HB VAL 34 HB VAL 34 -0.175 7.978 8.436 250 HG11 VAL 34 HG11 VAL 34 1.564 8.914 6.936 251 HG12 VAL 34 HG12 VAL 34 1.604 7.373 6.078 252 HG13 VAL 34 HG13 VAL 34 2.080 7.451 7.774 253 HG21 VAL 34 HG21 VAL 34 -0.870 7.883 5.501 254 HG22 VAL 34 HG22 VAL 34 -0.781 9.341 6.489 255 HG23 VAL 34 HG23 VAL 34 -2.005 8.118 6.831 256 H ALA 35 HN ALA 35 1.437 4.422 6.702 257 HA ALA 35 HA ALA 35 2.800 4.311 9.299 258 HB1 ALA 35 HB1 ALA 35 1.252 2.352 9.065 259 HB2 ALA 35 HB2 ALA 35 2.952 1.933 9.277 260 HB3 ALA 35 HB3 ALA 35 2.212 1.837 7.675 261 H ALA 36 HN ALA 36 5.008 4.037 9.171 262 HA ALA 36 HA ALA 36 6.135 4.149 6.450 263 HB1 ALA 36 HB1 ALA 36 7.291 5.207 9.024 264 HB2 ALA 36 HB2 ALA 36 6.507 6.170 7.769 265 HB3 ALA 36 HB3 ALA 36 8.028 5.342 7.424 266 H THR 37 HN THR 37 5.801 2.125 9.071 267 HA THR 37 HA THR 37 8.249 0.665 8.367 268 HB THR 37 HB THR 37 8.512 0.010 10.745 269 HG1 THR 37 HG1 THR 37 7.359 1.499 12.256 270 HG21 THR 37 HG21 THR 37 9.418 2.126 11.549 271 HG22 THR 37 HG22 THR 37 8.549 2.985 10.279 272 HG23 THR 37 HG23 THR 37 9.838 1.856 9.859 273 H CYS 38 HN CYS 38 8.186 -1.619 9.107 274 HA CYS 38 HA CYS 38 5.850 -2.989 8.423 275 HB2 CYS 38 HB2 CYS 38 6.938 -4.935 9.547 276 HB3 CYS 38 HB1 CYS 38 8.004 -4.088 8.445 277 HG CYS 38 HG CYS 38 9.818 -4.476 10.286 278 H GLU 39 HN GLU 39 7.240 -2.208 11.537 279 HA GLU 39 HA GLU 39 5.423 -3.316 13.269 280 HB2 GLU 39 HB2 GLU 39 6.926 -0.731 13.552 281 HB3 GLU 39 HB1 GLU 39 6.104 -1.540 14.874 282 HG2 GLU 39 HG2 GLU 39 7.559 -3.462 14.632 283 HG3 GLU 39 HG1 GLU 39 8.357 -2.700 13.255 284 H GLN 40 HN GLN 40 5.296 0.055 12.048 285 HA GLN 40 HA GLN 40 2.902 0.757 13.278 286 HB2 GLN 40 HB2 GLN 40 4.191 1.662 10.725 287 HB3 GLN 40 HB1 GLN 40 2.716 2.381 11.325 288 HG2 GLN 40 HG2 GLN 40 3.944 2.917 13.426 289 HG3 GLN 40 HG1 GLN 40 5.411 2.381 12.612 290 HE21 GLN 40 HE21 GLN 40 6.315 3.633 11.033 291 HE22 GLN 40 HE22 GLN 40 5.818 5.264 10.731 292 H ALA 41 HN ALA 41 3.497 -0.821 10.214 293 HA ALA 41 HA ALA 41 0.837 -0.742 9.266 294 HB1 ALA 41 HB1 ALA 41 2.897 -1.073 7.907 295 HB2 ALA 41 HB2 ALA 41 1.589 -2.206 7.560 296 HB3 ALA 41 HB3 ALA 41 2.968 -2.723 8.529 297 H LEU 42 HN LEU 42 2.737 -3.244 10.917 298 HA LEU 42 HA LEU 42 0.723 -5.218 10.859 299 HB2 LEU 42 HB2 LEU 42 3.043 -4.894 12.762 300 HB3 LEU 42 HB1 LEU 42 2.116 -6.357 12.515 301 HG LEU 42 HG LEU 42 3.826 -5.015 10.426 302 HD11 LEU 42 HD11 LEU 42 4.303 -7.536 11.998 303 HD12 LEU 42 HD12 LEU 42 5.152 -6.004 12.211 304 HD13 LEU 42 HD13 LEU 42 5.324 -6.908 10.704 305 HD21 LEU 42 HD21 LEU 42 3.442 -7.076 9.132 306 HD22 LEU 42 HD22 LEU 42 1.960 -6.164 9.411 307 HD23 LEU 42 HD23 LEU 42 2.293 -7.615 10.358 308 H LYS 43 HN LYS 43 1.451 -2.577 13.015 309 HA LYS 43 HA LYS 43 -0.330 -3.286 15.099 310 HB2 LYS 43 HB2 LYS 43 1.397 -1.525 15.301 311 HB3 LYS 43 HB1 LYS 43 0.511 -0.538 14.154 312 HG2 LYS 43 HG2 LYS 43 -1.337 -0.329 15.684 313 HG3 LYS 43 HG1 LYS 43 -0.562 -1.432 16.821 314 HD2 LYS 43 HD2 LYS 43 -0.264 0.879 17.525 315 HD3 LYS 43 HD1 LYS 43 1.284 0.153 17.097 316 HE2 LYS 43 HE2 LYS 43 1.191 1.246 14.909 317 HE3 LYS 43 HE1 LYS 43 -0.363 1.963 15.332 318 HZ1 LYS 43 HZ1 LYS 43 1.497 3.503 15.631 319 HZ2 LYS 43 HZ2 LYS 43 2.185 2.464 16.773 320 HZ3 LYS 43 HZ3 LYS 43 0.696 3.199 17.087 321 H SER 44 HN SER 44 -0.702 -1.150 12.295 322 HA SER 44 HA SER 44 -3.431 -0.593 12.696 323 HB2 SER 44 HB2 SER 44 -1.883 0.693 11.197 324 HB3 SER 44 HB1 SER 44 -1.982 -0.636 10.043 325 HG SER 44 HG SER 44 -4.005 1.130 10.890 326 H LEU 45 HN LEU 45 -1.777 -3.128 10.904 327 HA LEU 45 HA LEU 45 -3.926 -4.305 9.581 328 HB2 LEU 45 HB2 LEU 45 -1.226 -4.874 10.021 329 HB3 LEU 45 HB1 LEU 45 -2.067 -6.255 10.692 330 HG LEU 45 HG LEU 45 -1.447 -6.733 8.425 331 HD11 LEU 45 HD11 LEU 45 -4.400 -6.167 8.585 332 HD12 LEU 45 HD12 LEU 45 -3.589 -7.621 9.166 333 HD13 LEU 45 HD13 LEU 45 -3.612 -7.254 7.441 334 HD21 LEU 45 HD21 LEU 45 -2.236 -5.404 6.548 335 HD22 LEU 45 HD22 LEU 45 -1.227 -4.444 7.629 336 HD23 LEU 45 HD23 LEU 45 -2.980 -4.259 7.662 337 H ALA 46 HN ALA 46 -2.766 -4.689 12.898 338 HA ALA 46 HA ALA 46 -4.639 -6.800 13.495 339 HB1 ALA 46 HB1 ALA 46 -2.825 -5.241 15.330 340 HB2 ALA 46 HB2 ALA 46 -2.416 -6.754 14.523 341 HB3 ALA 46 HB3 ALA 46 -3.694 -6.719 15.736 342 H ASP 47 HN ASP 47 -4.409 -3.338 14.001 343 HA ASP 47 HA ASP 47 -6.551 -3.266 15.927 344 HB2 ASP 47 HB2 ASP 47 -4.652 -1.636 15.897 345 HB3 ASP 47 HB1 ASP 47 -5.309 -0.967 14.409 346 H ASN 48 HN ASN 48 -6.194 -2.667 12.486 347 HA ASN 48 HA ASN 48 -9.037 -1.893 12.364 348 HB2 ASN 48 HB2 ASN 48 -6.888 -1.121 10.392 349 HB3 ASN 48 HB1 ASN 48 -8.529 -0.526 10.446 350 HD21 ASN 48 HD21 ASN 48 -5.389 -0.338 11.803 351 HD22 ASN 48 HD22 ASN 48 -5.638 1.086 12.755 352 HA PRO 49 HA PRO 49 -9.407 -5.130 9.298 353 HB2 PRO 49 HB2 PRO 49 -11.791 -4.336 8.232 354 HB3 PRO 49 HB1 PRO 49 -11.636 -5.134 9.797 355 HG2 PRO 49 HG2 PRO 49 -12.419 -2.408 9.234 356 HG3 PRO 49 HG1 PRO 49 -12.402 -3.250 10.789 357 HD2 PRO 49 HD2 PRO 49 -10.436 -1.385 9.652 358 HD3 PRO 49 HD1 PRO 49 -10.655 -1.896 11.334 359 H ILE 50 HN ILE 50 -7.615 -4.347 8.033 360 HA ILE 50 HA ILE 50 -7.789 -2.232 6.190 361 HB ILE 50 HB ILE 50 -5.879 -4.565 6.319 362 HG12 ILE 50 HG12 ILE 50 -5.788 -3.178 8.296 363 HG13 ILE 50 HG11 ILE 50 -4.358 -2.885 7.323 364 HG21 ILE 50 HG21 ILE 50 -5.912 -3.591 4.085 365 HG22 ILE 50 HG22 ILE 50 -4.397 -3.255 4.924 366 HG23 ILE 50 HG23 ILE 50 -5.623 -1.996 4.780 367 HD11 ILE 50 HD11 ILE 50 -5.091 -0.786 8.112 368 HD12 ILE 50 HD12 ILE 50 -6.762 -1.117 7.649 369 HD13 ILE 50 HD13 ILE 50 -5.539 -0.863 6.403 370 H ASP 51 HN ASP 51 -8.959 -2.158 4.426 371 HA ASP 51 HA ASP 51 -9.895 -4.555 3.101 372 HB2 ASP 51 HB2 ASP 51 -10.340 -1.613 2.576 373 HB3 ASP 51 HB1 ASP 51 -10.982 -2.876 1.536 374 H VAL 52 HN VAL 52 -7.525 -2.049 2.646 375 HA VAL 52 HA VAL 52 -6.251 -3.504 0.526 376 HB VAL 52 HB VAL 52 -8.039 -2.331 -0.729 377 HG11 VAL 52 HG11 VAL 52 -6.752 0.118 0.436 378 HG12 VAL 52 HG12 VAL 52 -8.436 -0.395 0.567 379 HG13 VAL 52 HG13 VAL 52 -7.795 0.156 -0.981 380 HG21 VAL 52 HG21 VAL 52 -5.267 -1.291 -1.268 381 HG22 VAL 52 HG22 VAL 52 -6.610 -1.277 -2.412 382 HG23 VAL 52 HG23 VAL 52 -5.945 -2.812 -1.849 383 H ALA 53 HN ALA 53 -4.174 -2.561 -0.019 384 HA ALA 53 HA ALA 53 -3.304 -0.403 1.753 385 HB1 ALA 53 HB1 ALA 53 -2.877 -2.607 2.849 386 HB2 ALA 53 HB2 ALA 53 -1.438 -1.619 2.587 387 HB3 ALA 53 HB3 ALA 53 -1.777 -2.984 1.520 388 H VAL 54 HN VAL 54 -1.079 0.318 1.239 389 HA VAL 54 HA VAL 54 -0.250 -0.172 -1.532 390 HB VAL 54 HB VAL 54 0.241 2.567 -1.051 391 HG11 VAL 54 HG11 VAL 54 -1.425 2.831 -2.916 392 HG12 VAL 54 HG12 VAL 54 -1.704 1.089 -2.810 393 HG13 VAL 54 HG13 VAL 54 -0.097 1.709 -3.230 394 HG21 VAL 54 HG21 VAL 54 -2.638 1.878 -0.476 395 HG22 VAL 54 HG22 VAL 54 -1.970 3.497 -0.673 396 HG23 VAL 54 HG23 VAL 54 -1.480 2.503 0.696 397 H LEU 55 HN LEU 55 1.820 -0.830 -1.396 398 HA LEU 55 HA LEU 55 3.327 -0.016 1.006 399 HB2 LEU 55 HB2 LEU 55 3.095 -2.641 -0.414 400 HB3 LEU 55 HB1 LEU 55 4.515 -2.284 0.542 401 HG LEU 55 HG LEU 55 3.123 -2.055 2.549 402 HD11 LEU 55 HD11 LEU 55 0.836 -2.841 0.756 403 HD12 LEU 55 HD12 LEU 55 1.048 -1.281 1.553 404 HD13 LEU 55 HD13 LEU 55 0.782 -2.737 2.517 405 HD21 LEU 55 HD21 LEU 55 2.355 -4.450 2.644 406 HD22 LEU 55 HD22 LEU 55 4.042 -4.191 2.189 407 HD23 LEU 55 HD23 LEU 55 2.845 -4.583 0.949 408 H ASP 56 HN ASP 56 5.106 1.175 0.607 409 HA ASP 56 HA ASP 56 6.395 1.041 -1.976 410 HB2 ASP 56 HB2 ASP 56 6.338 3.181 -0.721 411 HB3 ASP 56 HB1 ASP 56 7.347 2.454 0.526 412 H VAL 57 HN VAL 57 7.437 -0.690 -2.428 413 HA VAL 57 HA VAL 57 8.619 -2.541 -0.734 414 HB VAL 57 HB VAL 57 9.391 -1.927 -3.589 415 HG11 VAL 57 HG11 VAL 57 10.055 -4.224 -3.738 416 HG12 VAL 57 HG12 VAL 57 9.516 -4.524 -2.088 417 HG13 VAL 57 HG13 VAL 57 10.899 -3.470 -2.384 418 HG21 VAL 57 HG21 VAL 57 7.685 -3.545 -4.227 419 HG22 VAL 57 HG22 VAL 57 6.985 -2.178 -3.360 420 HG23 VAL 57 HG23 VAL 57 7.215 -3.720 -2.536 421 H ASN 58 HN ASN 58 9.768 0.565 -1.689 422 HA ASN 58 HA ASN 58 12.459 -0.143 -0.698 423 HB2 ASN 58 HB2 ASN 58 12.374 0.324 -3.169 424 HB3 ASN 58 HB1 ASN 58 11.870 1.964 -2.787 425 HD21 ASN 58 HD21 ASN 58 13.379 3.436 -2.160 426 HD22 ASN 58 HD22 ASN 58 15.072 3.100 -2.081 427 H LEU 59 HN LEU 59 11.297 0.456 1.349 428 HA LEU 59 HA LEU 59 10.609 3.153 1.882 429 HB2 LEU 59 HB2 LEU 59 11.456 0.960 3.778 430 HB3 LEU 59 HB1 LEU 59 10.769 2.494 4.269 431 HG LEU 59 HG LEU 59 9.335 0.441 2.585 432 HD11 LEU 59 HD11 LEU 59 9.773 -0.351 4.874 433 HD12 LEU 59 HD12 LEU 59 8.058 -0.068 4.576 434 HD13 LEU 59 HD13 LEU 59 8.998 1.101 5.508 435 HD21 LEU 59 HD21 LEU 59 7.357 1.792 3.061 436 HD22 LEU 59 HD22 LEU 59 8.577 2.730 2.199 437 HD23 LEU 59 HD23 LEU 59 8.356 2.955 3.935 438 H GLY 60 HN GLY 60 13.582 1.381 1.868 439 HA2 GLY 60 HA2 GLY 60 15.125 3.780 1.961 440 HA3 GLY 60 HA1 GLY 60 15.254 2.868 3.459 441 HA PRO 61 HA PRO 61 18.659 1.430 0.622 442 HB2 PRO 61 HB2 PRO 61 19.728 0.820 3.311 443 HB3 PRO 61 HB1 PRO 61 20.537 1.550 1.926 444 HG2 PRO 61 HG2 PRO 61 19.805 3.034 4.010 445 HG3 PRO 61 HG1 PRO 61 19.655 3.651 2.354 446 HD2 PRO 61 HD2 PRO 61 17.545 2.625 4.194 447 HD3 PRO 61 HD1 PRO 61 17.469 3.942 3.009 448 H LYS 62 HN LYS 62 17.585 -0.102 3.651 449 HA LYS 62 HA LYS 62 17.321 -2.624 2.152 450 HB2 LYS 62 HB2 LYS 62 19.255 -2.632 3.746 451 HB3 LYS 62 HB1 LYS 62 18.116 -2.385 5.061 452 HG2 LYS 62 HG2 LYS 62 17.090 -4.509 4.658 453 HG3 LYS 62 HG1 LYS 62 18.041 -4.742 3.192 454 HD2 LYS 62 HD2 LYS 62 20.095 -4.751 4.558 455 HD3 LYS 62 HD1 LYS 62 19.107 -4.583 6.010 456 HE2 LYS 62 HE2 LYS 62 18.033 -6.704 5.565 457 HE3 LYS 62 HE1 LYS 62 18.914 -6.864 4.048 458 HZ1 LYS 62 HZ1 LYS 62 20.119 -6.822 6.761 459 HZ2 LYS 62 HZ2 LYS 62 20.979 -6.947 5.312 460 HZ3 LYS 62 HZ3 LYS 62 19.929 -8.186 5.780 461 H SER 63 HN SER 63 15.936 -0.298 4.241 462 HA SER 63 HA SER 63 13.902 -1.801 5.450 463 HB2 SER 63 HB2 SER 63 13.810 1.116 4.659 464 HB3 SER 63 HB1 SER 63 12.848 0.322 5.904 465 HG SER 63 HG SER 63 15.110 -0.249 6.737 466 H HIS 64 HN HIS 64 12.111 -2.659 4.670 467 HA HIS 64 HA HIS 64 10.857 -1.553 2.288 468 HB2 HIS 64 HB2 HIS 64 10.720 -3.758 1.180 469 HB3 HIS 64 HB1 HIS 64 12.377 -3.195 1.337 470 HD1 HIS 64 HD1 HIS 64 10.053 -5.424 3.387 471 HD2 HIS 64 HD2 HIS 64 13.995 -5.199 2.114 472 HE1 HIS 64 HE1 HIS 64 11.148 -7.508 4.240 473 HE2 HIS 64 HE2 HIS 64 13.495 -7.426 3.322 474 H CYS 65 HN CYS 65 8.631 -2.139 2.073 475 HA CYS 65 HA CYS 65 7.332 -3.049 4.472 476 HB2 CYS 65 HB2 CYS 65 6.109 -2.764 1.761 477 HB3 CYS 65 HB1 CYS 65 5.305 -2.683 3.311 478 HG CYS 65 HG CYS 65 7.197 -0.334 1.763 479 H GLY 66 HN GLY 66 8.276 -5.144 4.773 480 HA2 GLY 66 HA2 GLY 66 7.710 -7.118 2.653 481 HA3 GLY 66 HA1 GLY 66 8.957 -7.279 3.879 482 HA PRO 67 HA PRO 67 6.265 -9.463 6.696 483 HB2 PRO 67 HB2 PRO 67 6.277 -7.186 8.587 484 HB3 PRO 67 HB1 PRO 67 6.711 -8.872 8.855 485 HG2 PRO 67 HG2 PRO 67 8.564 -6.940 8.684 486 HG3 PRO 67 HG1 PRO 67 8.855 -8.593 8.113 487 HD2 PRO 67 HD2 PRO 67 8.359 -6.116 6.562 488 HD3 PRO 67 HD1 PRO 67 9.290 -7.562 6.138 489 H VAL 68 HN VAL 68 5.600 -6.132 5.944 490 HA VAL 68 HA VAL 68 2.866 -6.077 6.720 491 HB VAL 68 HB VAL 68 4.122 -4.455 4.506 492 HG11 VAL 68 HG11 VAL 68 2.410 -2.844 5.024 493 HG12 VAL 68 HG12 VAL 68 1.835 -3.835 6.365 494 HG13 VAL 68 HG13 VAL 68 1.667 -4.411 4.707 495 HG21 VAL 68 HG21 VAL 68 4.591 -2.753 6.248 496 HG22 VAL 68 HG22 VAL 68 5.547 -4.223 6.433 497 HG23 VAL 68 HG23 VAL 68 4.155 -3.940 7.477 498 H ALA 69 HN ALA 69 4.546 -6.611 3.663 499 HA ALA 69 HA ALA 69 2.337 -7.056 2.021 500 HB1 ALA 69 HB1 ALA 69 3.910 -8.238 0.556 501 HB2 ALA 69 HB2 ALA 69 5.096 -8.272 1.861 502 HB3 ALA 69 HB3 ALA 69 4.600 -6.731 1.161 503 H ASP 70 HN ASP 70 4.321 -9.308 3.892 504 HA ASP 70 HA ASP 70 2.910 -11.659 3.231 505 HB2 ASP 70 HB2 ASP 70 5.156 -11.668 4.236 506 HB3 ASP 70 HB1 ASP 70 4.504 -10.979 5.721 507 H ALA 71 HN ALA 71 2.535 -9.312 5.846 508 HA ALA 71 HA ALA 71 0.536 -10.558 7.338 509 HB1 ALA 71 HB1 ALA 71 0.021 -8.369 8.200 510 HB2 ALA 71 HB2 ALA 71 0.834 -7.604 6.834 511 HB3 ALA 71 HB3 ALA 71 1.769 -8.528 8.012 512 H LEU 72 HN LEU 72 0.284 -8.373 4.572 513 HA LEU 72 HA LEU 72 -2.547 -8.403 4.438 514 HB2 LEU 72 HB2 LEU 72 -0.434 -7.730 2.399 515 HB3 LEU 72 HB1 LEU 72 -2.149 -7.463 2.160 516 HG LEU 72 HG LEU 72 -0.564 -6.221 4.405 517 HD11 LEU 72 HD11 LEU 72 0.251 -5.426 2.285 518 HD12 LEU 72 HD12 LEU 72 -0.668 -4.172 3.122 519 HD13 LEU 72 HD13 LEU 72 -1.396 -5.052 1.772 520 HD21 LEU 72 HD21 LEU 72 -2.936 -6.455 4.867 521 HD22 LEU 72 HD22 LEU 72 -3.330 -5.729 3.311 522 HD23 LEU 72 HD23 LEU 72 -2.543 -4.762 4.561 523 H LYS 73 HN LYS 73 -0.013 -10.118 2.702 524 HA LYS 73 HA LYS 73 -1.523 -11.665 0.978 525 HB2 LYS 73 HB2 LYS 73 1.097 -12.104 2.352 526 HB3 LYS 73 HB1 LYS 73 0.461 -13.274 1.221 527 HG2 LYS 73 HG2 LYS 73 1.090 -10.390 0.640 528 HG3 LYS 73 HG1 LYS 73 2.047 -11.782 0.165 529 HD2 LYS 73 HD2 LYS 73 -0.782 -11.300 -0.735 530 HD3 LYS 73 HD1 LYS 73 0.644 -10.839 -1.660 531 HE2 LYS 73 HE2 LYS 73 1.349 -13.251 -1.577 532 HE3 LYS 73 HE1 LYS 73 -0.235 -13.613 -0.891 533 HZ1 LYS 73 HZ1 LYS 73 0.302 -12.405 -3.549 534 HZ2 LYS 73 HZ2 LYS 73 -1.239 -12.620 -2.890 535 HZ3 LYS 73 HZ3 LYS 73 -0.283 -13.964 -3.250 536 H GLN 74 HN GLN 74 -0.781 -12.148 4.370 537 HA GLN 74 HA GLN 74 -1.570 -14.834 4.597 538 HB2 GLN 74 HB2 GLN 74 -0.996 -14.585 6.775 539 HB3 GLN 74 HB1 GLN 74 -0.377 -13.036 6.236 540 HG2 GLN 74 HG2 GLN 74 -2.334 -11.919 6.977 541 HG3 GLN 74 HG1 GLN 74 -3.105 -13.447 7.391 542 HE21 GLN 74 HE21 GLN 74 -0.854 -11.030 8.329 543 HE22 GLN 74 HE22 GLN 74 -0.513 -11.639 9.908 544 H ARG 75 HN ARG 75 -3.343 -11.822 5.002 545 HA ARG 75 HA ARG 75 -5.809 -13.286 5.546 546 HB2 ARG 75 HB2 ARG 75 -5.253 -10.320 5.493 547 HB3 ARG 75 HB1 ARG 75 -6.762 -11.066 5.995 548 HG2 ARG 75 HG2 ARG 75 -5.599 -12.164 7.840 549 HG3 ARG 75 HG1 ARG 75 -4.087 -11.393 7.343 550 HD2 ARG 75 HD2 ARG 75 -5.066 -9.198 7.713 551 HD3 ARG 75 HD1 ARG 75 -6.614 -9.929 8.125 552 HE ARG 75 HE ARG 75 -4.532 -10.872 9.825 553 HH11 ARG 75 HH11 ARG 75 -6.680 -8.169 9.248 554 HH12 ARG 75 HH12 ARG 75 -6.624 -7.605 10.888 555 HH21 ARG 75 HH21 ARG 75 -4.462 -10.140 11.990 556 HH22 ARG 75 HH22 ARG 75 -5.370 -8.739 12.455 557 H ALA 76 HN ALA 76 -4.192 -12.600 2.883 558 HA ALA 76 HA ALA 76 -4.642 -12.355 0.685 559 HB1 ALA 76 HB1 ALA 76 -6.798 -13.110 -0.159 560 HB2 ALA 76 HB2 ALA 76 -7.465 -13.068 1.473 561 HB3 ALA 76 HB3 ALA 76 -6.186 -14.214 1.072 562 H ILE 77 HN ILE 77 -4.759 -10.032 2.407 563 HA ILE 77 HA ILE 77 -6.874 -8.349 1.396 564 HB ILE 77 HB ILE 77 -4.381 -7.660 2.970 565 HG12 ILE 77 HG12 ILE 77 -7.231 -7.808 3.952 566 HG13 ILE 77 HG11 ILE 77 -6.116 -9.165 4.060 567 HG21 ILE 77 HG21 ILE 77 -5.581 -5.537 3.458 568 HG22 ILE 77 HG22 ILE 77 -6.803 -6.004 2.272 569 HG23 ILE 77 HG23 ILE 77 -5.139 -5.724 1.760 570 HD11 ILE 77 HD11 ILE 77 -5.707 -6.465 5.327 571 HD12 ILE 77 HD12 ILE 77 -4.637 -7.861 5.469 572 HD13 ILE 77 HD13 ILE 77 -6.261 -7.921 6.153 573 HA PRO 78 HA PRO 78 -4.581 -7.332 -2.248 574 HB2 PRO 78 HB2 PRO 78 -6.220 -5.406 -3.182 575 HB3 PRO 78 HB1 PRO 78 -6.568 -7.128 -3.317 576 HG2 PRO 78 HG2 PRO 78 -7.693 -5.103 -1.484 577 HG3 PRO 78 HG1 PRO 78 -8.447 -6.554 -2.155 578 HD2 PRO 78 HD2 PRO 78 -7.431 -6.277 0.421 579 HD3 PRO 78 HD1 PRO 78 -7.805 -7.809 -0.377 580 H PHE 79 HN PHE 79 -3.087 -5.909 -2.821 581 HA PHE 79 HA PHE 79 -3.075 -3.212 -1.855 582 HB2 PHE 79 HB2 PHE 79 -0.917 -3.382 -0.669 583 HB3 PHE 79 HB1 PHE 79 -2.215 -4.242 0.129 584 HD1 PHE 79 HD2 PHE 79 -2.365 -6.774 -0.356 585 HD2 PHE 79 HD1 PHE 79 1.108 -4.427 -1.037 586 HE1 PHE 79 HE2 PHE 79 -0.985 -8.809 -0.324 587 HE2 PHE 79 HE1 PHE 79 2.498 -6.455 -1.009 588 HZ PHE 79 HZ PHE 79 1.499 -8.610 -0.519 589 H ILE 80 HN ILE 80 -1.412 -1.967 -2.760 590 HA ILE 80 HA ILE 80 -0.195 -3.243 -5.119 591 HB ILE 80 HB ILE 80 -1.144 -0.389 -4.852 592 HG12 ILE 80 HG12 ILE 80 -2.178 -2.768 -6.389 593 HG13 ILE 80 HG11 ILE 80 -3.024 -1.820 -5.173 594 HG21 ILE 80 HG21 ILE 80 0.169 -1.774 -7.185 595 HG22 ILE 80 HG22 ILE 80 0.876 -0.496 -6.193 596 HG23 ILE 80 HG23 ILE 80 -0.524 -0.151 -7.212 597 HD11 ILE 80 HD11 ILE 80 -3.062 0.088 -6.689 598 HD12 ILE 80 HD12 ILE 80 -3.842 -1.328 -7.396 599 HD13 ILE 80 HD13 ILE 80 -2.218 -0.866 -7.907 600 H LEU 81 HN LEU 81 1.922 -2.889 -5.493 601 HA LEU 81 HA LEU 81 3.423 -1.728 -3.292 602 HB2 LEU 81 HB2 LEU 81 4.328 -3.219 -5.754 603 HB3 LEU 81 HB1 LEU 81 5.405 -2.623 -4.512 604 HG LEU 81 HG LEU 81 5.182 -4.879 -4.007 605 HD11 LEU 81 HD11 LEU 81 3.083 -3.503 -2.344 606 HD12 LEU 81 HD12 LEU 81 4.819 -3.486 -2.045 607 HD13 LEU 81 HD13 LEU 81 3.919 -4.998 -1.928 608 HD21 LEU 81 HD21 LEU 81 3.369 -5.372 -5.572 609 HD22 LEU 81 HD22 LEU 81 2.209 -4.657 -4.451 610 HD23 LEU 81 HD23 LEU 81 3.094 -6.114 -3.996 611 H HIS 82 HN HIS 82 3.747 0.366 -3.348 612 HA HIS 82 HA HIS 82 4.127 1.644 -5.962 613 HB2 HIS 82 HB2 HIS 82 2.237 2.534 -4.708 614 HB3 HIS 82 HB1 HIS 82 3.253 2.828 -3.307 615 HD1 HIS 82 HD1 HIS 82 2.504 5.349 -3.443 616 HD2 HIS 82 HD2 HIS 82 4.702 4.000 -6.699 617 HE1 HIS 82 HE1 HIS 82 3.154 7.411 -4.729 618 HE2 HIS 82 HE2 HIS 82 4.673 6.581 -6.543 619 H THR 83 HN THR 83 6.244 1.183 -6.243 620 HA THR 83 HA THR 83 8.162 2.422 -4.392 621 HB THR 83 HB THR 83 8.020 0.026 -3.846 622 HG1 THR 83 HG1 THR 83 10.048 0.940 -3.620 623 HG21 THR 83 HG21 THR 83 8.601 -1.676 -5.466 624 HG22 THR 83 HG22 THR 83 8.873 -0.445 -6.699 625 HG23 THR 83 HG23 THR 83 7.244 -0.719 -6.072 626 H GLY 84 HN GLY 84 10.317 2.695 -5.394 627 HA2 GLY 84 HA2 GLY 84 10.117 2.890 -8.337 628 HA3 GLY 84 HA1 GLY 84 10.954 4.076 -7.347 629 H ASP 85 HN ASP 85 11.244 0.758 -6.479 630 HA ASP 85 HA ASP 85 13.764 0.471 -7.938 631 HB2 ASP 85 HB2 ASP 85 14.236 1.451 -5.660 632 HB3 ASP 85 HB1 ASP 85 13.569 -0.016 -4.958 633 H LEU 86 HN LEU 86 12.322 -0.973 -9.115 634 HA LEU 86 HA LEU 86 11.327 -3.302 -7.659 635 HB2 LEU 86 HB2 LEU 86 10.975 -2.600 -10.574 636 HB3 LEU 86 HB1 LEU 86 10.196 -3.918 -9.722 637 HG LEU 86 HG LEU 86 9.034 -2.180 -8.304 638 HD11 LEU 86 HD11 LEU 86 10.507 -0.282 -8.733 639 HD12 LEU 86 HD12 LEU 86 8.853 0.080 -9.227 640 HD13 LEU 86 HD13 LEU 86 10.068 -0.318 -10.441 641 HD21 LEU 86 HD21 LEU 86 7.388 -1.669 -10.062 642 HD22 LEU 86 HD22 LEU 86 7.904 -3.355 -10.086 643 HD23 LEU 86 HD23 LEU 86 8.542 -2.221 -11.275 644 H ASP 87 HN ASP 87 13.889 -2.389 -9.771 645 HA ASP 87 HA ASP 87 14.398 -4.999 -10.810 646 HB2 ASP 87 HB2 ASP 87 15.147 -3.014 -12.023 647 HB3 ASP 87 HB1 ASP 87 16.194 -2.569 -10.680 648 H ARG 88 HN ARG 88 15.889 -3.026 -8.268 649 HA ARG 88 HA ARG 88 17.722 -5.097 -7.531 650 HB2 ARG 88 HB2 ARG 88 18.213 -2.692 -7.257 651 HB3 ARG 88 HB1 ARG 88 16.967 -2.594 -6.026 652 HG2 ARG 88 HG2 ARG 88 19.121 -4.599 -5.676 653 HG3 ARG 88 HG1 ARG 88 19.511 -2.900 -5.428 654 HD2 ARG 88 HD2 ARG 88 17.289 -4.408 -4.069 655 HD3 ARG 88 HD1 ARG 88 18.848 -4.012 -3.348 656 HE ARG 88 HE ARG 88 17.089 -1.855 -4.306 657 HH11 ARG 88 HH11 ARG 88 18.613 -3.572 -1.664 658 HH12 ARG 88 HH12 ARG 88 18.414 -2.269 -0.528 659 HH21 ARG 88 HH21 ARG 88 16.812 -0.136 -2.812 660 HH22 ARG 88 HH22 ARG 88 17.396 -0.316 -1.186 661 H HIS 89 HN HIS 89 14.631 -3.910 -6.269 662 HA HIS 89 HA HIS 89 14.664 -5.926 -4.163 663 HB2 HIS 89 HB2 HIS 89 12.702 -3.769 -4.912 664 HB3 HIS 89 HB1 HIS 89 12.284 -5.030 -3.765 665 HD1 HIS 89 HD1 HIS 89 14.096 -5.150 -1.643 666 HD2 HIS 89 HD2 HIS 89 13.724 -1.593 -3.751 667 HE1 HIS 89 HE1 HIS 89 14.948 -3.356 -0.102 668 HE2 HIS 89 HE2 HIS 89 14.865 -1.237 -1.466 669 H GLY 90 HN GLY 90 14.485 -6.515 -7.163 670 HA2 GLY 90 HA2 GLY 90 11.917 -7.177 -7.976 671 HA3 GLY 90 HA1 GLY 90 13.380 -7.971 -8.555 672 H GLU 91 HN GLU 91 14.211 -9.232 -6.197 673 HA GLU 91 HA GLU 91 12.733 -11.587 -6.213 674 HB2 GLU 91 HB2 GLU 91 15.030 -11.467 -5.381 675 HB3 GLU 91 HB1 GLU 91 14.506 -10.479 -4.025 676 HG2 GLU 91 HG2 GLU 91 13.153 -12.352 -3.204 677 HG3 GLU 91 HG1 GLU 91 13.730 -13.340 -4.543 678 H LEU 92 HN LEU 92 12.346 -8.688 -4.301 679 HA LEU 92 HA LEU 92 10.687 -9.881 -2.318 680 HB2 LEU 92 HB2 LEU 92 12.083 -7.877 -1.919 681 HB3 LEU 92 HB1 LEU 92 11.041 -6.964 -2.991 682 HG LEU 92 HG LEU 92 9.155 -7.279 -1.454 683 HD11 LEU 92 HD11 LEU 92 9.518 -8.256 0.757 684 HD12 LEU 92 HD12 LEU 92 11.163 -8.691 0.299 685 HD13 LEU 92 HD13 LEU 92 9.792 -9.445 -0.515 686 HD21 LEU 92 HD21 LEU 92 9.832 -5.715 0.140 687 HD22 LEU 92 HD22 LEU 92 10.912 -5.421 -1.227 688 HD23 LEU 92 HD23 LEU 92 11.483 -6.327 0.172 689 H LEU 93 HN LEU 93 9.920 -7.639 -5.072 690 HA LEU 93 HA LEU 93 7.177 -7.726 -4.437 691 HB2 LEU 93 HB2 LEU 93 6.766 -6.727 -6.668 692 HB3 LEU 93 HB1 LEU 93 7.792 -5.843 -5.606 693 HG LEU 93 HG LEU 93 8.336 -5.726 -8.030 694 HD11 LEU 93 HD11 LEU 93 10.610 -6.814 -6.464 695 HD12 LEU 93 HD12 LEU 93 9.881 -5.245 -6.133 696 HD13 LEU 93 HD13 LEU 93 10.604 -5.562 -7.713 697 HD21 LEU 93 HD21 LEU 93 7.898 -8.087 -8.523 698 HD22 LEU 93 HD22 LEU 93 9.381 -8.503 -7.663 699 HD23 LEU 93 HD23 LEU 93 9.455 -7.506 -9.116 700 H ARG 94 HN ARG 94 9.152 -9.732 -6.402 701 HA ARG 94 HA ARG 94 7.123 -11.193 -7.685 702 HB2 ARG 94 HB2 ARG 94 9.834 -12.122 -6.766 703 HB3 ARG 94 HB1 ARG 94 8.779 -13.010 -7.855 704 HG2 ARG 94 HG2 ARG 94 10.100 -10.363 -8.348 705 HG3 ARG 94 HG1 ARG 94 10.408 -11.890 -9.149 706 HD2 ARG 94 HD2 ARG 94 7.917 -10.219 -9.335 707 HD3 ARG 94 HD1 ARG 94 9.099 -10.508 -10.608 708 HE ARG 94 HE ARG 94 8.215 -12.999 -9.954 709 HH11 ARG 94 HH11 ARG 94 6.703 -10.025 -11.011 710 HH12 ARG 94 HH12 ARG 94 5.336 -10.820 -11.725 711 HH21 ARG 94 HH21 ARG 94 6.421 -14.052 -10.904 712 HH22 ARG 94 HH22 ARG 94 5.180 -13.113 -11.670 713 H LYS 95 HN LYS 95 8.733 -11.722 -4.568 714 HA LYS 95 HA LYS 95 7.263 -14.018 -3.837 715 HB2 LYS 95 HB2 LYS 95 8.712 -11.951 -2.189 716 HB3 LYS 95 HB1 LYS 95 7.948 -13.368 -1.483 717 HG2 LYS 95 HG2 LYS 95 9.404 -14.827 -2.734 718 HG3 LYS 95 HG1 LYS 95 10.118 -13.444 -3.566 719 HD2 LYS 95 HD2 LYS 95 11.042 -12.613 -1.510 720 HD3 LYS 95 HD1 LYS 95 10.195 -13.849 -0.580 721 HE2 LYS 95 HE2 LYS 95 12.324 -14.371 -2.649 722 HE3 LYS 95 HE1 LYS 95 12.577 -14.379 -0.904 723 HZ1 LYS 95 HZ1 LYS 95 10.754 -16.198 -2.385 724 HZ2 LYS 95 HZ2 LYS 95 11.026 -16.212 -0.717 725 HZ3 LYS 95 HZ3 LYS 95 12.279 -16.609 -1.782 726 H ILE 96 HN ILE 96 6.708 -10.598 -3.409 727 HA ILE 96 HA ILE 96 4.465 -10.740 -1.728 728 HB ILE 96 HB ILE 96 5.252 -8.663 -3.778 729 HG12 ILE 96 HG12 ILE 96 5.621 -8.733 -0.774 730 HG13 ILE 96 HG11 ILE 96 6.889 -9.016 -1.962 731 HG21 ILE 96 HG21 ILE 96 3.184 -8.566 -1.602 732 HG22 ILE 96 HG22 ILE 96 2.918 -8.429 -3.340 733 HG23 ILE 96 HG23 ILE 96 3.777 -7.155 -2.473 734 HD11 ILE 96 HD11 ILE 96 6.965 -6.759 -1.016 735 HD12 ILE 96 HD12 ILE 96 5.347 -6.451 -1.652 736 HD13 ILE 96 HD13 ILE 96 6.690 -6.742 -2.757 737 H ASP 97 HN ASP 97 4.734 -10.489 -5.270 738 HA ASP 97 HA ASP 97 3.311 -10.971 -6.959 739 HB2 ASP 97 HB2 ASP 97 3.440 -13.240 -6.050 740 HB3 ASP 97 HB1 ASP 97 2.118 -12.886 -4.942 741 H ALA 98 HN ALA 98 2.589 -8.779 -6.645 742 HA ALA 98 HA ALA 98 -0.281 -8.634 -6.585 743 HB1 ALA 98 HB1 ALA 98 -0.412 -6.899 -4.856 744 HB2 ALA 98 HB2 ALA 98 1.316 -7.068 -4.548 745 HB3 ALA 98 HB3 ALA 98 0.222 -8.405 -4.193 746 HA PRO 99 HA PRO 99 0.408 -5.411 -9.542 747 HB2 PRO 99 HB2 PRO 99 -1.341 -3.585 -7.994 748 HB3 PRO 99 HB1 PRO 99 -1.471 -4.106 -9.672 749 HG2 PRO 99 HG2 PRO 99 -3.122 -5.072 -7.836 750 HG3 PRO 99 HG1 PRO 99 -2.456 -6.119 -9.100 751 HD2 PRO 99 HD2 PRO 99 -1.641 -5.871 -6.233 752 HD3 PRO 99 HD1 PRO 99 -1.819 -7.330 -7.229 753 H VAL 100 HN VAL 100 1.767 -3.716 -9.915 754 HA VAL 100 HA VAL 100 2.877 -2.350 -7.555 755 HB VAL 100 HB VAL 100 4.472 -3.211 -9.974 756 HG11 VAL 100 HG11 VAL 100 5.295 -2.058 -7.317 757 HG12 VAL 100 HG12 VAL 100 5.405 -1.278 -8.896 758 HG13 VAL 100 HG13 VAL 100 6.407 -2.682 -8.532 759 HG21 VAL 100 HG21 VAL 100 5.474 -4.927 -8.553 760 HG22 VAL 100 HG22 VAL 100 3.739 -5.182 -8.732 761 HG23 VAL 100 HG23 VAL 100 4.378 -4.489 -7.243 762 H MET 101 HN MET 101 3.006 -0.202 -7.682 763 HA MET 101 HA MET 101 2.729 1.105 -10.313 764 HB2 MET 101 HB2 MET 101 1.878 2.061 -7.568 765 HB3 MET 101 HB1 MET 101 1.926 3.103 -8.982 766 HG2 MET 101 HG2 MET 101 0.309 0.577 -8.916 767 HG3 MET 101 HG1 MET 101 -0.319 2.113 -8.325 768 HE1 MET 101 HE1 MET 101 0.475 4.349 -10.150 769 HE2 MET 101 HE2 MET 101 -1.226 4.012 -9.822 770 HE3 MET 101 HE3 MET 101 -0.682 4.276 -11.478 771 H ALA 102 HN ALA 102 4.701 1.689 -10.954 772 HA ALA 102 HA ALA 102 6.911 1.856 -9.192 773 HB1 ALA 102 HB1 ALA 102 8.198 2.444 -11.156 774 HB2 ALA 102 HB2 ALA 102 6.717 2.764 -12.057 775 HB3 ALA 102 HB3 ALA 102 7.088 1.124 -11.525 776 H LYS 103 HN LYS 103 8.153 3.584 -8.542 777 HA LYS 103 HA LYS 103 6.831 6.180 -8.488 778 HB2 LYS 103 HB2 LYS 103 9.274 5.101 -7.087 779 HB3 LYS 103 HB1 LYS 103 8.842 6.799 -7.034 780 HG2 LYS 103 HG2 LYS 103 6.656 6.136 -6.036 781 HG3 LYS 103 HG1 LYS 103 7.262 4.481 -5.951 782 HD2 LYS 103 HD2 LYS 103 9.005 5.113 -4.449 783 HD3 LYS 103 HD1 LYS 103 8.681 6.829 -4.701 784 HE2 LYS 103 HE2 LYS 103 6.477 6.558 -3.664 785 HE3 LYS 103 HE1 LYS 103 6.816 4.849 -3.399 786 HZ1 LYS 103 HZ1 LYS 103 8.537 5.385 -1.870 787 HZ2 LYS 103 HZ2 LYS 103 7.176 6.293 -1.428 788 HZ3 LYS 103 HZ3 LYS 103 8.463 7.042 -2.242 789 HA PRO 104 HA PRO 104 7.283 8.249 -8.213 790 HB2 PRO 104 HB2 PRO 104 6.873 10.151 -10.374 791 HB3 PRO 104 HB1 PRO 104 7.574 10.421 -8.777 792 HG2 PRO 104 HG2 PRO 104 9.047 10.519 -11.050 793 HG3 PRO 104 HG1 PRO 104 9.713 9.989 -9.496 794 HD2 PRO 104 HD2 PRO 104 8.766 8.335 -11.812 795 HD3 PRO 104 HD1 PRO 104 10.216 8.132 -10.802 796 H ALA 105 HN ALA 105 5.037 8.615 -8.214 797 HA ALA 105 HA ALA 105 3.486 7.812 -10.554 798 HB1 ALA 105 HB1 ALA 105 3.228 6.449 -7.865 799 HB2 ALA 105 HB2 ALA 105 3.868 5.716 -9.342 800 HB3 ALA 105 HB3 ALA 105 2.168 6.191 -9.258 801 H ASP 106 HN ASP 106 1.539 8.870 -10.647 802 HA ASP 106 HA ASP 106 0.997 10.932 -8.752 803 HB2 ASP 106 HB2 ASP 106 0.298 11.127 -11.120 804 HB3 ASP 106 HB1 ASP 106 -0.829 9.792 -10.886 805 H THR 107 HN THR 107 -0.233 10.905 -6.997 806 HA THR 107 HA THR 107 -0.663 8.361 -5.845 807 HB THR 107 HB THR 107 -1.591 9.747 -3.922 808 HG1 THR 107 HG1 THR 107 -2.190 11.605 -5.140 809 HG21 THR 107 HG21 THR 107 0.734 8.959 -4.063 810 HG22 THR 107 HG22 THR 107 0.645 10.559 -3.327 811 HG23 THR 107 HG23 THR 107 1.156 10.388 -5.009 812 H SER 108 HN SER 108 -2.750 10.443 -7.647 813 HA SER 108 HA SER 108 -5.193 9.415 -6.553 814 HB2 SER 108 HB2 SER 108 -4.937 11.615 -7.818 815 HB3 SER 108 HB1 SER 108 -4.843 10.651 -9.289 816 HG SER 108 HG SER 108 -7.007 11.093 -7.568 817 H ASP 109 HN ASP 109 -3.078 8.632 -9.265 818 HA ASP 109 HA ASP 109 -4.674 6.567 -10.373 819 HB2 ASP 109 HB2 ASP 109 -1.782 7.312 -10.554 820 HB3 ASP 109 HB1 ASP 109 -2.297 5.739 -11.149 821 H VAL 110 HN VAL 110 -2.046 6.596 -8.038 822 HA VAL 110 HA VAL 110 -1.869 3.848 -7.590 823 HB VAL 110 HB VAL 110 -1.426 5.979 -5.499 824 HG11 VAL 110 HG11 VAL 110 -1.431 3.622 -4.739 825 HG12 VAL 110 HG12 VAL 110 0.132 4.419 -4.540 826 HG13 VAL 110 HG13 VAL 110 -0.119 3.290 -5.871 827 HG21 VAL 110 HG21 VAL 110 0.885 6.082 -6.299 828 HG22 VAL 110 HG22 VAL 110 -0.255 6.588 -7.549 829 HG23 VAL 110 HG23 VAL 110 0.477 4.983 -7.617 830 H ALA 111 HN ALA 111 -3.876 6.323 -6.039 831 HA ALA 111 HA ALA 111 -5.026 4.690 -4.054 832 HB1 ALA 111 HB1 ALA 111 -6.159 7.169 -5.342 833 HB2 ALA 111 HB2 ALA 111 -5.069 7.133 -3.956 834 HB3 ALA 111 HB3 ALA 111 -6.692 6.453 -3.819 835 H LYS 112 HN LYS 112 -6.319 5.759 -7.185 836 HA LYS 112 HA LYS 112 -8.764 4.434 -7.026 837 HB2 LYS 112 HB2 LYS 112 -7.099 5.285 -9.385 838 HB3 LYS 112 HB1 LYS 112 -8.684 4.551 -9.574 839 HG2 LYS 112 HG2 LYS 112 -9.675 6.371 -8.265 840 HG3 LYS 112 HG1 LYS 112 -8.079 7.111 -8.106 841 HD2 LYS 112 HD2 LYS 112 -7.934 7.470 -10.464 842 HD3 LYS 112 HD1 LYS 112 -9.389 6.519 -10.753 843 HE2 LYS 112 HE2 LYS 112 -9.929 8.851 -10.932 844 HE3 LYS 112 HE1 LYS 112 -10.690 8.197 -9.487 845 HZ1 LYS 112 HZ1 LYS 112 -9.114 9.255 -8.112 846 HZ2 LYS 112 HZ2 LYS 112 -9.581 10.420 -9.251 847 HZ3 LYS 112 HZ3 LYS 112 -8.096 9.629 -9.417 848 H ARG 113 HN ARG 113 -5.698 3.339 -8.449 849 HA ARG 113 HA ARG 113 -6.715 0.936 -9.505 850 HB2 ARG 113 HB2 ARG 113 -3.892 1.604 -8.708 851 HB3 ARG 113 HB1 ARG 113 -4.377 0.233 -9.697 852 HG2 ARG 113 HG2 ARG 113 -4.709 3.140 -10.382 853 HG3 ARG 113 HG1 ARG 113 -3.565 2.008 -11.087 854 HD2 ARG 113 HD2 ARG 113 -5.402 0.696 -12.004 855 HD3 ARG 113 HD1 ARG 113 -6.562 1.803 -11.268 856 HE ARG 113 HE ARG 113 -5.030 3.436 -12.787 857 HH11 ARG 113 HH11 ARG 113 -6.761 0.476 -13.475 858 HH12 ARG 113 HH12 ARG 113 -7.113 0.913 -15.114 859 HH21 ARG 113 HH21 ARG 113 -5.479 4.013 -14.946 860 HH22 ARG 113 HH22 ARG 113 -6.364 2.918 -15.960 861 H ALA 114 HN ALA 114 -5.383 1.750 -6.358 862 HA ALA 114 HA ALA 114 -5.134 -0.912 -5.405 863 HB1 ALA 114 HB1 ALA 114 -5.005 0.125 -3.170 864 HB2 ALA 114 HB2 ALA 114 -5.468 1.672 -3.881 865 HB3 ALA 114 HB3 ALA 114 -3.937 0.918 -4.336 866 H LEU 115 HN LEU 115 -7.654 1.550 -5.110 867 HA LEU 115 HA LEU 115 -9.372 0.040 -3.467 868 HB2 LEU 115 HB2 LEU 115 -9.888 2.383 -5.270 869 HB3 LEU 115 HB1 LEU 115 -11.086 1.707 -4.181 870 HG LEU 115 HG LEU 115 -8.441 2.900 -3.353 871 HD11 LEU 115 HD11 LEU 115 -9.837 4.647 -2.344 872 HD12 LEU 115 HD12 LEU 115 -11.255 3.921 -3.100 873 HD13 LEU 115 HD13 LEU 115 -9.970 4.598 -4.102 874 HD21 LEU 115 HD21 LEU 115 -9.311 2.666 -1.071 875 HD22 LEU 115 HD22 LEU 115 -9.115 1.106 -1.866 876 HD23 LEU 115 HD23 LEU 115 -10.720 1.813 -1.704 877 H GLU 116 HN GLU 116 -8.881 0.089 -6.902 878 HA GLU 116 HA GLU 116 -11.243 -1.004 -7.848 879 HB2 GLU 116 HB2 GLU 116 -8.397 -1.465 -8.729 880 HB3 GLU 116 HB1 GLU 116 -9.783 -2.084 -9.612 881 HG2 GLU 116 HG2 GLU 116 -9.287 0.824 -9.031 882 HG3 GLU 116 HG1 GLU 116 -8.864 0.010 -10.537 883 H MET 117 HN MET 117 -8.508 -2.628 -6.318 884 HA MET 117 HA MET 117 -9.419 -5.259 -6.884 885 HB2 MET 117 HB2 MET 117 -7.408 -4.249 -4.873 886 HB3 MET 117 HB1 MET 117 -7.690 -5.951 -5.221 887 HG2 MET 117 HG2 MET 117 -7.112 -5.455 -7.605 888 HG3 MET 117 HG1 MET 117 -6.625 -3.848 -7.082 889 HE1 MET 117 HE1 MET 117 -5.200 -4.266 -4.315 890 HE2 MET 117 HE2 MET 117 -4.564 -3.302 -5.647 891 HE3 MET 117 HE3 MET 117 -3.538 -4.500 -4.855 892 H CYS 118 HN CYS 118 -10.081 -3.009 -4.310 893 HA CYS 118 HA CYS 118 -12.216 -4.436 -3.243 894 HB2 CYS 118 HB2 CYS 118 -10.490 -6.034 -2.499 895 HB3 CYS 118 HB1 CYS 118 -9.675 -4.743 -1.631 896 HG CYS 118 HG CYS 118 -11.086 -4.818 0.524 897 H GLY 119 HN GLY 119 -13.251 -2.559 -2.965 898 HA2 GLY 119 HA2 GLY 119 -13.481 -1.200 -0.756 899 HA3 GLY 119 HA1 GLY 119 -11.977 -0.489 -1.324 900 H GLY 120 HN GLY 120 -12.548 -0.432 -4.067 901 HA2 GLY 120 HA2 GLY 120 -13.942 1.997 -4.287 902 HA3 GLY 120 HA1 GLY 120 -13.518 0.940 -5.627 903 H ASP 121 HN ASP 121 -14.900 -1.204 -5.505 904 HA ASP 121 HA ASP 121 -16.929 -2.154 -5.893 905 HB2 ASP 121 HB2 ASP 121 -16.936 -1.898 -3.379 906 HB3 ASP 121 HB1 ASP 121 -17.884 -0.433 -3.597 907 H LYS 122 HN LYS 122 -16.310 0.094 -7.446 908 HA LYS 122 HA LYS 122 -18.754 1.671 -7.617 909 HB2 LYS 122 HB2 LYS 122 -16.645 2.888 -7.712 910 HB3 LYS 122 HB1 LYS 122 -16.117 1.913 -9.072 911 HG2 LYS 122 HG2 LYS 122 -16.817 4.050 -9.880 912 HG3 LYS 122 HG1 LYS 122 -17.984 2.837 -10.408 913 HD2 LYS 122 HD2 LYS 122 -19.489 3.483 -8.602 914 HD3 LYS 122 HD1 LYS 122 -18.314 4.671 -8.032 915 HE2 LYS 122 HE2 LYS 122 -20.005 5.794 -9.321 916 HE3 LYS 122 HE1 LYS 122 -18.490 5.824 -10.216 917 HZ1 LYS 122 HZ1 LYS 122 -20.801 4.024 -10.705 918 HZ2 LYS 122 HZ2 LYS 122 -19.320 3.914 -11.512 919 HZ3 LYS 122 HZ3 LYS 122 -20.279 5.292 -11.690 920 H GLU 123 HN GLU 123 -20.284 1.280 -9.039 921 HA GLU 123 HA GLU 123 -20.257 -0.842 -10.877 922 HB2 GLU 123 HB2 GLU 123 -22.315 0.120 -9.973 923 HB3 GLU 123 HB1 GLU 123 -21.977 1.643 -10.777 924 HG2 GLU 123 HG2 GLU 123 -22.133 0.455 -12.955 925 HG3 GLU 123 HG1 GLU 123 -22.639 -0.986 -12.073 926 HA PRO 124 HA PRO 124 -17.886 1.198 -14.084 927 HB2 PRO 124 HB2 PRO 124 -17.942 -0.810 -15.883 928 HB3 PRO 124 HB1 PRO 124 -16.928 -0.869 -14.437 929 HG2 PRO 124 HG2 PRO 124 -19.573 -2.163 -14.951 930 HG3 PRO 124 HG1 PRO 124 -18.140 -2.825 -14.145 931 HD2 PRO 124 HD2 PRO 124 -20.311 -1.840 -12.809 932 HD3 PRO 124 HD1 PRO 124 -18.668 -1.845 -12.141 933 H ALA 125 HN ALA 125 -19.922 2.605 -14.181 934 HA ALA 125 HA ALA 125 -20.883 2.562 -16.898 935 HB1 ALA 125 HB1 ALA 125 -22.509 1.090 -15.812 936 HB2 ALA 125 HB2 ALA 125 -23.257 2.600 -16.333 937 HB3 ALA 125 HB3 ALA 125 -22.865 2.351 -14.632 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 -19.434 11.227 -0.166 2 H2 GLY 1 HT2 GLY 1 -21.072 11.561 -0.427 3 H3 GLY 1 HT3 GLY 1 -20.451 10.026 -0.796 4 HA2 GLY 1 HA1 GLY 1 -20.596 11.203 1.923 5 HA3 GLY 1 HA2 GLY 1 -21.731 10.029 1.274 6 H ALA 2 HN ALA 2 -20.391 8.132 0.140 7 HA ALA 2 HA ALA 2 -19.415 6.145 0.645 8 HB1 ALA 2 HB1 ALA 2 -17.029 6.257 1.113 9 HB2 ALA 2 HB2 ALA 2 -17.183 7.962 1.541 10 HB3 ALA 2 HB3 ALA 2 -17.489 7.436 -0.114 11 H MET 3 HN MET 3 -21.078 5.921 2.364 12 HA MET 3 HA MET 3 -20.346 6.362 5.087 13 HB2 MET 3 HB2 MET 3 -22.545 4.701 3.851 14 HB3 MET 3 HB1 MET 3 -22.361 4.947 5.581 15 HG2 MET 3 HG2 MET 3 -24.030 6.445 4.785 16 HG3 MET 3 HG1 MET 3 -22.603 7.386 5.206 17 HE1 MET 3 HE1 MET 3 -23.467 9.475 3.909 18 HE2 MET 3 HE2 MET 3 -24.944 8.622 3.468 19 HE3 MET 3 HE3 MET 3 -24.005 9.456 2.231 20 H GLY 4 HN GLY 4 -19.750 3.913 2.799 21 HA2 GLY 4 HA2 GLY 4 -18.613 2.211 4.925 22 HA3 GLY 4 HA1 GLY 4 -19.223 1.582 3.399 23 H MET 5 HN MET 5 -16.982 4.126 4.449 24 HA MET 5 HA MET 5 -15.339 4.015 2.180 25 HB2 MET 5 HB2 MET 5 -14.838 5.010 4.971 26 HB3 MET 5 HB1 MET 5 -13.622 5.104 3.709 27 HG2 MET 5 HG2 MET 5 -15.157 6.448 2.354 28 HG3 MET 5 HG1 MET 5 -16.337 6.389 3.663 29 HE1 MET 5 HE1 MET 5 -14.879 10.087 3.532 30 HE2 MET 5 HE2 MET 5 -16.342 9.116 3.372 31 HE3 MET 5 HE3 MET 5 -15.055 8.976 2.173 32 HA PRO 6 HA PRO 6 -13.050 0.245 2.873 33 HB2 PRO 6 HB2 PRO 6 -11.139 1.575 1.046 34 HB3 PRO 6 HB1 PRO 6 -11.912 -0.005 0.906 35 HG2 PRO 6 HG2 PRO 6 -12.691 1.998 -0.634 36 HG3 PRO 6 HG1 PRO 6 -13.884 0.886 0.059 37 HD2 PRO 6 HD2 PRO 6 -13.117 3.641 0.956 38 HD3 PRO 6 HD1 PRO 6 -14.732 2.925 0.804 39 H LYS 7 HN LYS 7 -11.432 -0.295 4.260 40 HA LYS 7 HA LYS 7 -9.992 1.868 5.549 41 HB2 LYS 7 HB2 LYS 7 -11.084 -0.066 6.778 42 HB3 LYS 7 HB1 LYS 7 -9.809 -1.089 6.133 43 HG2 LYS 7 HG2 LYS 7 -9.323 -0.412 8.407 44 HG3 LYS 7 HG1 LYS 7 -8.136 0.258 7.285 45 HD2 LYS 7 HD2 LYS 7 -9.143 2.416 7.385 46 HD3 LYS 7 HD1 LYS 7 -10.542 1.788 8.258 47 HE2 LYS 7 HE2 LYS 7 -9.098 1.240 10.158 48 HE3 LYS 7 HE1 LYS 7 -7.709 1.879 9.285 49 HZ1 LYS 7 HZ1 LYS 7 -8.758 3.406 10.945 50 HZ2 LYS 7 HZ2 LYS 7 -10.100 3.516 9.916 51 HZ3 LYS 7 HZ3 LYS 7 -8.581 4.046 9.392 52 H VAL 8 HN VAL 8 -8.300 2.596 4.459 53 HA VAL 8 HA VAL 8 -6.658 0.730 2.904 54 HB VAL 8 HB VAL 8 -6.687 3.755 2.853 55 HG11 VAL 8 HG11 VAL 8 -5.418 1.758 0.984 56 HG12 VAL 8 HG12 VAL 8 -4.573 2.823 2.107 57 HG13 VAL 8 HG13 VAL 8 -5.462 3.505 0.745 58 HG21 VAL 8 HG21 VAL 8 -7.954 1.823 0.911 59 HG22 VAL 8 HG22 VAL 8 -7.969 3.586 0.806 60 HG23 VAL 8 HG23 VAL 8 -8.825 2.771 2.118 61 H LEU 9 HN LEU 9 -4.572 0.341 3.394 62 HA LEU 9 HA LEU 9 -3.367 1.871 5.596 63 HB2 LEU 9 HB2 LEU 9 -3.624 -0.463 6.149 64 HB3 LEU 9 HB1 LEU 9 -2.863 -0.946 4.645 65 HG LEU 9 HG LEU 9 -0.736 0.000 5.407 66 HD11 LEU 9 HD11 LEU 9 -0.479 0.786 7.693 67 HD12 LEU 9 HD12 LEU 9 -2.203 0.547 7.985 68 HD13 LEU 9 HD13 LEU 9 -1.665 1.769 6.833 69 HD21 LEU 9 HD21 LEU 9 -0.272 -1.632 7.159 70 HD22 LEU 9 HD22 LEU 9 -1.226 -2.336 5.852 71 HD23 LEU 9 HD23 LEU 9 -2.002 -1.894 7.375 72 H VAL 10 HN VAL 10 -1.986 3.350 4.875 73 HA VAL 10 HA VAL 10 -0.506 2.851 2.411 74 HB VAL 10 HB VAL 10 -0.909 5.341 4.060 75 HG11 VAL 10 HG11 VAL 10 1.449 5.276 3.335 76 HG12 VAL 10 HG12 VAL 10 0.540 6.543 2.512 77 HG13 VAL 10 HG13 VAL 10 0.917 5.040 1.670 78 HG21 VAL 10 HG21 VAL 10 -2.694 4.760 2.538 79 HG22 VAL 10 HG22 VAL 10 -1.541 4.582 1.212 80 HG23 VAL 10 HG23 VAL 10 -1.832 6.172 1.925 81 H LEU 11 HN LEU 11 1.397 2.047 2.443 82 HA LEU 11 HA LEU 11 3.129 2.327 4.793 83 HB2 LEU 11 HB2 LEU 11 2.705 0.264 2.808 84 HB3 LEU 11 HB1 LEU 11 4.395 0.743 2.839 85 HG LEU 11 HG LEU 11 4.101 -1.155 4.282 86 HD11 LEU 11 HD11 LEU 11 4.870 -0.251 6.414 87 HD12 LEU 11 HD12 LEU 11 4.312 1.360 5.963 88 HD13 LEU 11 HD13 LEU 11 5.635 0.605 5.076 89 HD21 LEU 11 HD21 LEU 11 1.668 -0.843 4.584 90 HD22 LEU 11 HD22 LEU 11 1.992 0.486 5.698 91 HD23 LEU 11 HD23 LEU 11 2.507 -1.150 6.101 92 H GLU 12 HN GLU 12 4.287 4.134 4.669 93 HA GLU 12 HA GLU 12 6.024 4.642 2.476 94 HB2 GLU 12 HB2 GLU 12 4.018 5.460 1.391 95 HB3 GLU 12 HB1 GLU 12 3.608 6.433 2.794 96 HG2 GLU 12 HG2 GLU 12 4.490 7.771 0.959 97 HG3 GLU 12 HG1 GLU 12 5.499 7.875 2.392 98 H ASP 13 HN ASP 13 7.672 5.866 3.095 99 HA ASP 13 HA ASP 13 7.614 6.838 5.865 100 HB2 ASP 13 HB2 ASP 13 9.329 5.186 5.422 101 HB3 ASP 13 HB1 ASP 13 9.911 6.105 4.043 102 H GLU 14 HN GLU 14 7.917 7.818 2.568 103 HA GLU 14 HA GLU 14 8.928 10.461 3.167 104 HB2 GLU 14 HB2 GLU 14 7.639 9.427 0.627 105 HB3 GLU 14 HB1 GLU 14 8.557 10.916 0.798 106 HG2 GLU 14 HG2 GLU 14 10.546 9.540 1.402 107 HG3 GLU 14 HG1 GLU 14 9.595 8.108 1.017 108 HA PRO 15 HA PRO 15 4.870 11.413 4.808 109 HB2 PRO 15 HB2 PRO 15 5.994 14.125 4.974 110 HB3 PRO 15 HB1 PRO 15 5.256 13.135 6.230 111 HG2 PRO 15 HG2 PRO 15 7.889 13.513 6.184 112 HG3 PRO 15 HG1 PRO 15 7.207 11.931 6.611 113 HD2 PRO 15 HD2 PRO 15 8.429 12.835 4.029 114 HD3 PRO 15 HD1 PRO 15 8.609 11.289 4.881 115 H LEU 16 HN LEU 16 6.422 13.381 2.319 116 HA LEU 16 HA LEU 16 4.138 14.867 1.593 117 HB2 LEU 16 HB2 LEU 16 6.522 15.312 0.909 118 HB3 LEU 16 HB1 LEU 16 6.371 13.988 -0.228 119 HG LEU 16 HG LEU 16 6.092 16.385 -1.102 120 HD11 LEU 16 HD11 LEU 16 5.581 14.443 -2.457 121 HD12 LEU 16 HD12 LEU 16 4.387 15.714 -2.722 122 HD13 LEU 16 HD13 LEU 16 3.987 14.325 -1.712 123 HD21 LEU 16 HD21 LEU 16 3.366 16.009 0.121 124 HD22 LEU 16 HD22 LEU 16 3.859 17.329 -0.940 125 HD23 LEU 16 HD23 LEU 16 4.586 17.164 0.658 126 H ILE 17 HN ILE 17 5.502 11.879 0.291 127 HA ILE 17 HA ILE 17 3.463 11.390 -1.605 128 HB ILE 17 HB ILE 17 5.449 9.531 -0.283 129 HG12 ILE 17 HG12 ILE 17 6.369 9.539 -2.677 130 HG13 ILE 17 HG11 ILE 17 5.355 10.949 -2.938 131 HG21 ILE 17 HG21 ILE 17 3.495 8.949 -2.500 132 HG22 ILE 17 HG22 ILE 17 3.593 8.175 -0.915 133 HG23 ILE 17 HG23 ILE 17 4.877 7.927 -2.098 134 HD11 ILE 17 HD11 ILE 17 7.619 11.606 -2.453 135 HD12 ILE 17 HD12 ILE 17 7.589 10.694 -0.944 136 HD13 ILE 17 HD13 ILE 17 6.554 12.109 -1.142 137 H ALA 18 HN ALA 18 4.071 10.172 1.657 138 HA ALA 18 HA ALA 18 1.929 8.401 1.862 139 HB1 ALA 18 HB1 ALA 18 2.220 8.520 4.247 140 HB2 ALA 18 HB2 ALA 18 3.085 10.052 4.103 141 HB3 ALA 18 HB3 ALA 18 3.804 8.571 3.472 142 H MET 19 HN MET 19 2.078 11.820 2.851 143 HA MET 19 HA MET 19 -0.586 12.021 3.687 144 HB2 MET 19 HB2 MET 19 1.312 13.593 4.189 145 HB3 MET 19 HB1 MET 19 1.115 14.224 2.559 146 HG2 MET 19 HG2 MET 19 -1.187 14.841 3.086 147 HG3 MET 19 HG1 MET 19 -0.956 14.243 4.725 148 HE1 MET 19 HE1 MET 19 1.786 16.095 2.627 149 HE2 MET 19 HE2 MET 19 1.420 17.785 2.980 150 HE3 MET 19 HE3 MET 19 0.282 16.811 2.049 151 H ASN 20 HN ASN 20 0.946 12.463 0.547 152 HA ASN 20 HA ASN 20 -1.308 13.595 -0.739 153 HB2 ASN 20 HB2 ASN 20 1.365 12.663 -1.477 154 HB3 ASN 20 HB1 ASN 20 0.173 12.409 -2.727 155 HD21 ASN 20 HD21 ASN 20 1.931 14.710 -0.898 156 HD22 ASN 20 HD22 ASN 20 1.499 16.090 -1.844 157 H LEU 21 HN LEU 21 -0.095 10.285 -0.392 158 HA LEU 21 HA LEU 21 -2.086 9.028 -1.927 159 HB2 LEU 21 HB2 LEU 21 -0.360 8.129 0.358 160 HB3 LEU 21 HB1 LEU 21 -1.536 7.064 -0.373 161 HG LEU 21 HG LEU 21 0.643 8.408 -1.953 162 HD11 LEU 21 HD11 LEU 21 0.654 5.645 -0.753 163 HD12 LEU 21 HD12 LEU 21 1.648 7.002 -0.221 164 HD13 LEU 21 HD13 LEU 21 1.871 6.323 -1.834 165 HD21 LEU 21 HD21 LEU 21 -1.315 7.621 -3.188 166 HD22 LEU 21 HD22 LEU 21 -1.095 6.012 -2.500 167 HD23 LEU 21 HD23 LEU 21 0.128 6.684 -3.580 168 H GLN 22 HN GLN 22 -1.861 9.780 1.519 169 HA GLN 22 HA GLN 22 -4.247 8.745 2.422 170 HB2 GLN 22 HB2 GLN 22 -2.482 9.830 3.808 171 HB3 GLN 22 HB1 GLN 22 -3.044 11.392 3.241 172 HG2 GLN 22 HG2 GLN 22 -5.256 10.898 4.236 173 HG3 GLN 22 HG1 GLN 22 -4.583 9.413 4.895 174 HE21 GLN 22 HE21 GLN 22 -3.169 9.503 6.606 175 HE22 GLN 22 HE22 GLN 22 -2.914 10.937 7.534 176 H TYR 23 HN TYR 23 -3.688 12.060 1.272 177 HA TYR 23 HA TYR 23 -6.403 12.806 1.282 178 HB2 TYR 23 HB2 TYR 23 -3.929 13.925 0.041 179 HB3 TYR 23 HB1 TYR 23 -5.493 14.566 -0.446 180 HD1 TYR 23 HD2 TYR 23 -7.021 15.493 1.343 181 HD2 TYR 23 HD1 TYR 23 -2.929 14.600 2.067 182 HE1 TYR 23 HE2 TYR 23 -7.070 16.927 3.335 183 HE2 TYR 23 HE1 TYR 23 -2.965 16.033 4.068 184 HH TYR 23 HH TYR 23 -5.828 17.139 5.475 185 H ALA 24 HN ALA 24 -4.506 11.083 -1.079 186 HA ALA 24 HA ALA 24 -6.264 11.507 -3.282 187 HB1 ALA 24 HB1 ALA 24 -4.292 9.266 -2.824 188 HB2 ALA 24 HB2 ALA 24 -3.942 10.806 -3.609 189 HB3 ALA 24 HB3 ALA 24 -5.067 9.672 -4.355 190 H PHE 25 HN PHE 25 -5.832 8.833 -0.979 191 HA PHE 25 HA PHE 25 -7.976 7.282 -1.965 192 HB2 PHE 25 HB2 PHE 25 -6.424 7.301 0.601 193 HB3 PHE 25 HB1 PHE 25 -7.829 6.261 0.420 194 HD1 PHE 25 HD2 PHE 25 -7.833 4.460 -1.226 195 HD2 PHE 25 HD1 PHE 25 -4.362 6.808 -0.507 196 HE1 PHE 25 HE2 PHE 25 -6.460 2.754 -2.336 197 HE2 PHE 25 HE1 PHE 25 -2.974 5.100 -1.627 198 HZ PHE 25 HZ PHE 25 -4.029 3.076 -2.539 199 H GLU 26 HN GLU 26 -7.763 9.697 0.628 200 HA GLU 26 HA GLU 26 -10.383 9.395 1.594 201 HB2 GLU 26 HB2 GLU 26 -8.606 11.836 1.543 202 HB3 GLU 26 HB1 GLU 26 -10.123 11.741 2.425 203 HG2 GLU 26 HG2 GLU 26 -9.198 9.855 3.726 204 HG3 GLU 26 HG1 GLU 26 -7.660 10.079 2.894 205 H ASP 27 HN ASP 27 -9.080 11.273 -1.087 206 HA ASP 27 HA ASP 27 -11.473 12.677 -1.678 207 HB2 ASP 27 HB2 ASP 27 -9.102 13.209 -2.491 208 HB3 ASP 27 HB1 ASP 27 -9.376 11.967 -3.704 209 H GLU 28 HN GLU 28 -10.256 9.517 -2.504 210 HA GLU 28 HA GLU 28 -12.264 9.026 -4.508 211 HB2 GLU 28 HB2 GLU 28 -10.344 7.169 -3.095 212 HB3 GLU 28 HB1 GLU 28 -11.448 6.661 -4.364 213 HG2 GLU 28 HG2 GLU 28 -9.148 8.573 -4.594 214 HG3 GLU 28 HG1 GLU 28 -9.311 6.986 -5.341 215 H GLY 29 HN GLY 29 -12.181 9.029 -1.140 216 HA2 GLY 29 HA2 GLY 29 -14.166 8.836 0.144 217 HA3 GLY 29 HA1 GLY 29 -14.814 7.745 -1.069 218 H ALA 30 HN ALA 30 -11.775 7.759 0.788 219 HA ALA 30 HA ALA 30 -12.591 5.229 2.011 220 HB1 ALA 30 HB1 ALA 30 -9.928 5.674 0.665 221 HB2 ALA 30 HB2 ALA 30 -11.236 4.661 0.053 222 HB3 ALA 30 HB3 ALA 30 -10.414 4.229 1.552 223 H GLU 31 HN GLU 31 -11.091 4.602 3.817 224 HA GLU 31 HA GLU 31 -10.239 7.026 5.260 225 HB2 GLU 31 HB2 GLU 31 -12.119 5.701 6.251 226 HB3 GLU 31 HB1 GLU 31 -11.015 4.348 6.420 227 HG2 GLU 31 HG2 GLU 31 -9.645 5.599 7.952 228 HG3 GLU 31 HG1 GLU 31 -10.642 7.034 7.716 229 H VAL 32 HN VAL 32 -8.145 7.170 5.916 230 HA VAL 32 HA VAL 32 -6.424 4.993 4.908 231 HB VAL 32 HB VAL 32 -5.762 7.926 5.045 232 HG11 VAL 32 HG11 VAL 32 -3.847 7.387 3.694 233 HG12 VAL 32 HG12 VAL 32 -4.350 5.700 3.588 234 HG13 VAL 32 HG13 VAL 32 -3.836 6.372 5.136 235 HG21 VAL 32 HG21 VAL 32 -7.560 7.545 3.448 236 HG22 VAL 32 HG22 VAL 32 -6.610 6.279 2.667 237 HG23 VAL 32 HG23 VAL 32 -6.059 7.955 2.618 238 H VAL 33 HN VAL 33 -5.014 4.086 6.220 239 HA VAL 33 HA VAL 33 -4.160 5.485 8.667 240 HB VAL 33 HB VAL 33 -3.590 2.621 7.933 241 HG11 VAL 33 HG11 VAL 33 -3.109 2.378 10.322 242 HG12 VAL 33 HG12 VAL 33 -3.447 4.092 10.555 243 HG13 VAL 33 HG13 VAL 33 -2.077 3.590 9.564 244 HG21 VAL 33 HG21 VAL 33 -5.810 3.629 9.698 245 HG22 VAL 33 HG22 VAL 33 -5.367 1.938 9.444 246 HG23 VAL 33 HG23 VAL 33 -6.006 2.896 8.105 247 H VAL 34 HN VAL 34 -1.970 6.030 8.889 248 HA VAL 34 HA VAL 34 -0.313 5.433 6.524 249 HB VAL 34 HB VAL 34 -0.145 7.829 8.356 250 HG11 VAL 34 HG11 VAL 34 1.565 8.649 6.787 251 HG12 VAL 34 HG12 VAL 34 1.499 7.109 5.930 252 HG13 VAL 34 HG13 VAL 34 2.067 7.165 7.598 253 HG21 VAL 34 HG21 VAL 34 -0.808 9.103 6.366 254 HG22 VAL 34 HG22 VAL 34 -2.043 7.933 6.834 255 HG23 VAL 34 HG23 VAL 34 -0.980 7.596 5.466 256 H ALA 35 HN ALA 35 1.386 4.195 6.833 257 HA ALA 35 HA ALA 35 2.712 4.201 9.457 258 HB1 ALA 35 HB1 ALA 35 1.231 2.191 9.190 259 HB2 ALA 35 HB2 ALA 35 2.934 1.836 9.478 260 HB3 ALA 35 HB3 ALA 35 2.267 1.691 7.849 261 H ALA 36 HN ALA 36 4.896 4.241 9.360 262 HA ALA 36 HA ALA 36 6.076 4.404 6.682 263 HB1 ALA 36 HB1 ALA 36 6.385 6.311 8.207 264 HB2 ALA 36 HB2 ALA 36 7.918 5.572 7.741 265 HB3 ALA 36 HB3 ALA 36 7.227 5.250 9.336 266 H THR 37 HN THR 37 5.784 2.235 9.213 267 HA THR 37 HA THR 37 8.182 0.782 8.332 268 HB THR 37 HB THR 37 8.505 -0.011 10.668 269 HG1 THR 37 HG1 THR 37 7.415 1.358 12.300 270 HG21 THR 37 HG21 THR 37 9.474 2.052 11.561 271 HG22 THR 37 HG22 THR 37 8.583 2.989 10.363 272 HG23 THR 37 HG23 THR 37 9.841 1.866 9.845 273 H CYS 38 HN CYS 38 8.068 -1.556 8.767 274 HA CYS 38 HA CYS 38 5.563 -2.707 8.206 275 HB2 CYS 38 HB2 CYS 38 8.011 -3.991 9.431 276 HB3 CYS 38 HB1 CYS 38 6.643 -4.859 8.750 277 HG CYS 38 HG CYS 38 9.068 -3.106 7.131 278 H GLU 39 HN GLU 39 7.228 -1.961 11.173 279 HA GLU 39 HA GLU 39 5.674 -3.435 12.978 280 HB2 GLU 39 HB2 GLU 39 7.006 -0.773 13.443 281 HB3 GLU 39 HB1 GLU 39 6.556 -1.939 14.674 282 HG2 GLU 39 HG2 GLU 39 8.212 -3.466 13.963 283 HG3 GLU 39 HG1 GLU 39 8.520 -2.550 12.489 284 H GLN 40 HN GLN 40 5.399 -0.009 11.986 285 HA GLN 40 HA GLN 40 3.033 0.571 13.348 286 HB2 GLN 40 HB2 GLN 40 4.266 1.662 10.832 287 HB3 GLN 40 HB1 GLN 40 2.771 2.303 11.477 288 HG2 GLN 40 HG2 GLN 40 3.911 2.886 13.539 289 HG3 GLN 40 HG1 GLN 40 5.409 2.228 12.890 290 HE21 GLN 40 HE21 GLN 40 6.520 3.349 11.332 291 HE22 GLN 40 HE22 GLN 40 6.191 5.011 10.976 292 H ALA 41 HN ALA 41 3.593 -0.853 10.198 293 HA ALA 41 HA ALA 41 0.946 -0.790 9.255 294 HB1 ALA 41 HB1 ALA 41 3.022 -1.178 7.922 295 HB2 ALA 41 HB2 ALA 41 1.683 -2.272 7.565 296 HB3 ALA 41 HB3 ALA 41 3.035 -2.826 8.552 297 H LEU 42 HN LEU 42 2.798 -3.390 10.838 298 HA LEU 42 HA LEU 42 0.732 -5.294 10.804 299 HB2 LEU 42 HB2 LEU 42 3.041 -5.018 12.726 300 HB3 LEU 42 HB1 LEU 42 2.072 -6.455 12.492 301 HG LEU 42 HG LEU 42 3.863 -5.197 10.419 302 HD11 LEU 42 HD11 LEU 42 5.135 -6.226 12.193 303 HD12 LEU 42 HD12 LEU 42 5.236 -7.202 10.726 304 HD13 LEU 42 HD13 LEU 42 4.185 -7.707 12.049 305 HD21 LEU 42 HD21 LEU 42 2.167 -7.692 10.325 306 HD22 LEU 42 HD22 LEU 42 3.411 -7.282 9.146 307 HD23 LEU 42 HD23 LEU 42 1.999 -6.243 9.330 308 H LYS 43 HN LYS 43 1.469 -2.651 12.935 309 HA LYS 43 HA LYS 43 -0.241 -3.380 15.067 310 HB2 LYS 43 HB2 LYS 43 1.576 -1.631 15.115 311 HB3 LYS 43 HB1 LYS 43 0.502 -0.584 14.201 312 HG2 LYS 43 HG2 LYS 43 -0.552 -1.773 16.696 313 HG3 LYS 43 HG1 LYS 43 0.669 -0.515 16.848 314 HD2 LYS 43 HD2 LYS 43 -1.865 -0.229 15.238 315 HD3 LYS 43 HD1 LYS 43 -1.689 0.316 16.907 316 HE2 LYS 43 HE2 LYS 43 0.155 1.786 16.213 317 HE3 LYS 43 HE1 LYS 43 -0.066 1.262 14.545 318 HZ1 LYS 43 HZ1 LYS 43 -2.084 2.686 16.191 319 HZ2 LYS 43 HZ2 LYS 43 -2.297 2.183 14.593 320 HZ3 LYS 43 HZ3 LYS 43 -1.151 3.370 14.958 321 H SER 44 HN SER 44 -0.687 -1.219 12.276 322 HA SER 44 HA SER 44 -3.415 -0.693 12.780 323 HB2 SER 44 HB2 SER 44 -2.032 0.718 11.302 324 HB3 SER 44 HB1 SER 44 -1.938 -0.598 10.137 325 HG SER 44 HG SER 44 -3.581 0.743 9.499 326 H LEU 45 HN LEU 45 -1.759 -3.242 11.031 327 HA LEU 45 HA LEU 45 -3.909 -4.394 9.677 328 HB2 LEU 45 HB2 LEU 45 -1.211 -5.043 10.271 329 HB3 LEU 45 HB1 LEU 45 -2.182 -6.437 10.692 330 HG LEU 45 HG LEU 45 -1.437 -6.751 8.465 331 HD11 LEU 45 HD11 LEU 45 -3.495 -6.882 7.204 332 HD12 LEU 45 HD12 LEU 45 -4.278 -5.770 8.324 333 HD13 LEU 45 HD13 LEU 45 -3.770 -7.366 8.876 334 HD21 LEU 45 HD21 LEU 45 -0.809 -4.460 7.964 335 HD22 LEU 45 HD22 LEU 45 -2.510 -4.009 7.850 336 HD23 LEU 45 HD23 LEU 45 -1.816 -5.133 6.681 337 H ALA 46 HN ALA 46 -2.810 -4.743 13.020 338 HA ALA 46 HA ALA 46 -4.810 -6.765 13.594 339 HB1 ALA 46 HB1 ALA 46 -2.901 -5.338 15.442 340 HB2 ALA 46 HB2 ALA 46 -2.610 -6.887 14.654 341 HB3 ALA 46 HB3 ALA 46 -3.893 -6.737 15.854 342 H ASP 47 HN ASP 47 -4.230 -3.363 14.302 343 HA ASP 47 HA ASP 47 -6.338 -3.050 16.171 344 HB2 ASP 47 HB2 ASP 47 -4.377 -1.537 16.000 345 HB3 ASP 47 HB1 ASP 47 -4.997 -0.941 14.467 346 H ASN 48 HN ASN 48 -6.133 -2.669 12.690 347 HA ASN 48 HA ASN 48 -9.003 -1.986 12.652 348 HB2 ASN 48 HB2 ASN 48 -6.990 -1.110 10.586 349 HB3 ASN 48 HB1 ASN 48 -8.650 -0.581 10.745 350 HD21 ASN 48 HD21 ASN 48 -5.430 -0.151 11.741 351 HD22 ASN 48 HD22 ASN 48 -5.688 1.209 12.778 352 HA PRO 49 HA PRO 49 -9.228 -5.238 9.583 353 HB2 PRO 49 HB2 PRO 49 -11.668 -4.610 8.546 354 HB3 PRO 49 HB1 PRO 49 -11.444 -5.389 10.111 355 HG2 PRO 49 HG2 PRO 49 -12.398 -2.714 9.539 356 HG3 PRO 49 HG1 PRO 49 -12.343 -3.557 11.093 357 HD2 PRO 49 HD2 PRO 49 -10.498 -1.564 9.986 358 HD3 PRO 49 HD1 PRO 49 -10.670 -2.122 11.659 359 H ILE 50 HN ILE 50 -7.526 -4.447 8.261 360 HA ILE 50 HA ILE 50 -7.767 -2.336 6.425 361 HB ILE 50 HB ILE 50 -5.866 -4.679 6.478 362 HG12 ILE 50 HG12 ILE 50 -5.683 -3.277 8.439 363 HG13 ILE 50 HG11 ILE 50 -4.293 -3.003 7.399 364 HG21 ILE 50 HG21 ILE 50 -4.445 -3.408 4.998 365 HG22 ILE 50 HG22 ILE 50 -5.644 -2.119 4.924 366 HG23 ILE 50 HG23 ILE 50 -6.009 -3.701 4.239 367 HD11 ILE 50 HD11 ILE 50 -6.663 -1.217 7.829 368 HD12 ILE 50 HD12 ILE 50 -5.530 -0.996 6.498 369 HD13 ILE 50 HD13 ILE 50 -4.964 -0.883 8.167 370 H ASP 51 HN ASP 51 -8.899 -2.231 4.637 371 HA ASP 51 HA ASP 51 -9.917 -4.632 3.365 372 HB2 ASP 51 HB2 ASP 51 -10.402 -1.693 2.880 373 HB3 ASP 51 HB1 ASP 51 -11.060 -2.950 1.841 374 H VAL 52 HN VAL 52 -7.637 -2.053 2.790 375 HA VAL 52 HA VAL 52 -6.378 -3.559 0.680 376 HB VAL 52 HB VAL 52 -8.167 -2.341 -0.546 377 HG11 VAL 52 HG11 VAL 52 -7.960 0.110 -0.799 378 HG12 VAL 52 HG12 VAL 52 -6.755 0.107 0.487 379 HG13 VAL 52 HG13 VAL 52 -8.413 -0.390 0.831 380 HG21 VAL 52 HG21 VAL 52 -5.362 -1.416 -1.125 381 HG22 VAL 52 HG22 VAL 52 -6.718 -1.313 -2.248 382 HG23 VAL 52 HG23 VAL 52 -6.127 -2.891 -1.720 383 H ALA 53 HN ALA 53 -4.299 -2.654 0.119 384 HA ALA 53 HA ALA 53 -3.385 -0.515 1.895 385 HB1 ALA 53 HB1 ALA 53 -1.435 -1.776 2.560 386 HB2 ALA 53 HB2 ALA 53 -1.954 -3.145 1.574 387 HB3 ALA 53 HB3 ALA 53 -2.899 -2.665 2.987 388 H VAL 54 HN VAL 54 -1.299 0.338 1.308 389 HA VAL 54 HA VAL 54 -0.460 -0.197 -1.454 390 HB VAL 54 HB VAL 54 0.010 2.558 -0.751 391 HG11 VAL 54 HG11 VAL 54 -1.250 2.881 -2.890 392 HG12 VAL 54 HG12 VAL 54 -1.487 1.126 -2.926 393 HG13 VAL 54 HG13 VAL 54 0.158 1.806 -2.983 394 HG21 VAL 54 HG21 VAL 54 -2.276 3.389 -0.773 395 HG22 VAL 54 HG22 VAL 54 -2.005 2.346 0.622 396 HG23 VAL 54 HG23 VAL 54 -2.892 1.737 -0.776 397 H LEU 55 HN LEU 55 1.586 -0.882 -1.313 398 HA LEU 55 HA LEU 55 3.038 -0.110 1.110 399 HB2 LEU 55 HB2 LEU 55 2.887 -2.654 -0.419 400 HB3 LEU 55 HB1 LEU 55 4.361 -2.288 0.460 401 HG LEU 55 HG LEU 55 3.079 -2.122 2.552 402 HD11 LEU 55 HD11 LEU 55 0.746 -2.850 2.618 403 HD12 LEU 55 HD12 LEU 55 0.725 -2.908 0.853 404 HD13 LEU 55 HD13 LEU 55 0.959 -1.367 1.685 405 HD21 LEU 55 HD21 LEU 55 2.758 -4.645 0.955 406 HD22 LEU 55 HD22 LEU 55 2.359 -4.526 2.671 407 HD23 LEU 55 HD23 LEU 55 4.013 -4.242 2.128 408 H ASP 56 HN ASP 56 4.365 1.491 0.662 409 HA ASP 56 HA ASP 56 5.919 1.429 -1.771 410 HB2 ASP 56 HB2 ASP 56 5.075 3.550 -0.421 411 HB3 ASP 56 HB1 ASP 56 6.583 3.302 0.453 412 H VAL 57 HN VAL 57 8.036 0.965 -1.916 413 HA VAL 57 HA VAL 57 9.009 -0.721 0.256 414 HB VAL 57 HB VAL 57 10.178 -0.418 -2.514 415 HG11 VAL 57 HG11 VAL 57 11.607 -1.471 -0.808 416 HG12 VAL 57 HG12 VAL 57 11.153 -2.587 -2.095 417 HG13 VAL 57 HG13 VAL 57 10.350 -2.675 -0.530 418 HG21 VAL 57 HG21 VAL 57 8.876 -2.401 -3.145 419 HG22 VAL 57 HG22 VAL 57 7.829 -1.049 -2.709 420 HG23 VAL 57 HG23 VAL 57 8.077 -2.372 -1.570 421 H ASN 58 HN ASN 58 9.366 2.400 -0.858 422 HA ASN 58 HA ASN 58 12.189 2.667 -0.172 423 HB2 ASN 58 HB2 ASN 58 11.169 3.836 -2.159 424 HB3 ASN 58 HB1 ASN 58 10.248 4.825 -1.034 425 HD21 ASN 58 HD21 ASN 58 11.249 6.464 0.047 426 HD22 ASN 58 HD22 ASN 58 12.867 6.974 -0.290 427 H LEU 59 HN LEU 59 11.242 1.851 2.044 428 HA LEU 59 HA LEU 59 10.202 4.031 3.664 429 HB2 LEU 59 HB2 LEU 59 10.956 1.241 4.529 430 HB3 LEU 59 HB1 LEU 59 9.998 2.398 5.429 431 HG LEU 59 HG LEU 59 9.191 0.965 2.901 432 HD11 LEU 59 HD11 LEU 59 9.091 -0.385 4.931 433 HD12 LEU 59 HD12 LEU 59 7.478 -0.030 4.313 434 HD13 LEU 59 HD13 LEU 59 8.102 0.851 5.708 435 HD21 LEU 59 HD21 LEU 59 7.671 3.041 4.477 436 HD22 LEU 59 HD22 LEU 59 7.041 2.102 3.122 437 HD23 LEU 59 HD23 LEU 59 8.349 3.254 2.862 438 H GLY 60 HN GLY 60 13.165 2.433 2.954 439 HA2 GLY 60 HA2 GLY 60 14.743 4.466 4.079 440 HA3 GLY 60 HA1 GLY 60 14.701 3.106 5.195 441 HA PRO 61 HA PRO 61 18.183 2.490 2.064 442 HB2 PRO 61 HB2 PRO 61 19.400 1.553 4.583 443 HB3 PRO 61 HB1 PRO 61 20.105 2.527 3.297 444 HG2 PRO 61 HG2 PRO 61 19.401 3.618 5.630 445 HG3 PRO 61 HG1 PRO 61 19.189 4.487 4.102 446 HD2 PRO 61 HD2 PRO 61 17.158 3.136 5.808 447 HD3 PRO 61 HD1 PRO 61 17.012 4.599 4.820 448 H LYS 62 HN LYS 62 17.194 0.569 4.874 449 HA LYS 62 HA LYS 62 17.187 -1.817 3.148 450 HB2 LYS 62 HB2 LYS 62 17.694 -1.687 6.127 451 HB3 LYS 62 HB1 LYS 62 17.652 -3.154 5.157 452 HG2 LYS 62 HG2 LYS 62 19.597 -2.422 3.913 453 HG3 LYS 62 HG1 LYS 62 19.618 -0.901 4.807 454 HD2 LYS 62 HD2 LYS 62 19.957 -2.176 6.895 455 HD3 LYS 62 HD1 LYS 62 20.026 -3.662 5.947 456 HE2 LYS 62 HE2 LYS 62 22.264 -2.871 6.475 457 HE3 LYS 62 HE1 LYS 62 21.970 -2.800 4.738 458 HZ1 LYS 62 HZ1 LYS 62 23.084 -0.811 5.564 459 HZ2 LYS 62 HZ2 LYS 62 21.787 -0.495 6.602 460 HZ3 LYS 62 HZ3 LYS 62 21.560 -0.440 4.927 461 H SER 63 HN SER 63 15.466 0.185 5.378 462 HA SER 63 HA SER 63 13.387 -1.537 6.094 463 HB2 SER 63 HB2 SER 63 13.311 1.463 5.721 464 HB3 SER 63 HB1 SER 63 12.122 0.497 6.591 465 HG SER 63 HG SER 63 14.057 -0.217 7.865 466 H HIS 64 HN HIS 64 11.840 -2.410 4.974 467 HA HIS 64 HA HIS 64 10.772 -1.101 2.594 468 HB2 HIS 64 HB2 HIS 64 10.998 -3.158 1.246 469 HB3 HIS 64 HB1 HIS 64 12.571 -2.533 1.722 470 HD1 HIS 64 HD1 HIS 64 10.100 -5.170 2.933 471 HD2 HIS 64 HD2 HIS 64 14.182 -4.438 2.772 472 HE1 HIS 64 HE1 HIS 64 11.177 -7.209 3.901 473 HE2 HIS 64 HE2 HIS 64 13.658 -6.813 3.646 474 H CYS 65 HN CYS 65 8.671 -1.842 2.038 475 HA CYS 65 HA CYS 65 7.098 -2.985 4.098 476 HB2 CYS 65 HB2 CYS 65 5.328 -2.927 2.409 477 HB3 CYS 65 HB1 CYS 65 6.245 -1.423 2.406 478 HG CYS 65 HG CYS 65 7.065 -3.887 0.244 479 H GLY 66 HN GLY 66 8.173 -4.989 4.617 480 HA2 GLY 66 HA2 GLY 66 7.924 -7.066 2.530 481 HA3 GLY 66 HA1 GLY 66 9.063 -7.124 3.864 482 HA PRO 67 HA PRO 67 6.338 -9.482 6.442 483 HB2 PRO 67 HB2 PRO 67 6.331 -7.285 8.430 484 HB3 PRO 67 HB1 PRO 67 6.749 -8.984 8.630 485 HG2 PRO 67 HG2 PRO 67 8.618 -7.062 8.554 486 HG3 PRO 67 HG1 PRO 67 8.901 -8.691 7.917 487 HD2 PRO 67 HD2 PRO 67 8.449 -6.147 6.470 488 HD3 PRO 67 HD1 PRO 67 9.357 -7.588 5.986 489 H VAL 68 HN VAL 68 5.596 -6.132 5.820 490 HA VAL 68 HA VAL 68 2.895 -6.122 6.678 491 HB VAL 68 HB VAL 68 4.036 -4.501 4.404 492 HG11 VAL 68 HG11 VAL 68 2.349 -2.872 5.047 493 HG12 VAL 68 HG12 VAL 68 1.805 -3.930 6.349 494 HG13 VAL 68 HG13 VAL 68 1.608 -4.427 4.669 495 HG21 VAL 68 HG21 VAL 68 4.183 -3.950 7.364 496 HG22 VAL 68 HG22 VAL 68 4.580 -2.787 6.099 497 HG23 VAL 68 HG23 VAL 68 5.538 -4.258 6.278 498 H ALA 69 HN ALA 69 4.475 -6.741 3.602 499 HA ALA 69 HA ALA 69 2.208 -7.119 2.004 500 HB1 ALA 69 HB1 ALA 69 4.461 -6.818 1.101 501 HB2 ALA 69 HB2 ALA 69 3.733 -8.309 0.496 502 HB3 ALA 69 HB3 ALA 69 4.944 -8.374 1.779 503 H ASP 70 HN ASP 70 4.188 -9.381 3.856 504 HA ASP 70 HA ASP 70 2.781 -11.730 3.256 505 HB2 ASP 70 HB2 ASP 70 4.974 -11.764 4.331 506 HB3 ASP 70 HB1 ASP 70 4.316 -10.950 5.749 507 H ALA 71 HN ALA 71 2.425 -9.413 5.908 508 HA ALA 71 HA ALA 71 0.378 -10.581 7.355 509 HB1 ALA 71 HB1 ALA 71 0.729 -7.640 6.804 510 HB2 ALA 71 HB2 ALA 71 1.643 -8.562 8.000 511 HB3 ALA 71 HB3 ALA 71 -0.102 -8.368 8.183 512 H LEU 72 HN LEU 72 0.198 -8.517 4.512 513 HA LEU 72 HA LEU 72 -2.646 -8.445 4.402 514 HB2 LEU 72 HB2 LEU 72 -0.527 -7.829 2.354 515 HB3 LEU 72 HB1 LEU 72 -2.233 -7.479 2.155 516 HG LEU 72 HG LEU 72 -0.520 -6.350 4.363 517 HD11 LEU 72 HD11 LEU 72 0.235 -5.519 2.252 518 HD12 LEU 72 HD12 LEU 72 -0.653 -4.259 3.116 519 HD13 LEU 72 HD13 LEU 72 -1.418 -5.122 1.776 520 HD21 LEU 72 HD21 LEU 72 -2.824 -6.457 5.004 521 HD22 LEU 72 HD22 LEU 72 -3.338 -5.810 3.449 522 HD23 LEU 72 HD23 LEU 72 -2.450 -4.786 4.581 523 H LYS 73 HN LYS 73 -0.140 -10.216 2.676 524 HA LYS 73 HA LYS 73 -1.650 -11.758 0.955 525 HB2 LYS 73 HB2 LYS 73 0.929 -12.219 2.403 526 HB3 LYS 73 HB1 LYS 73 0.285 -13.433 1.315 527 HG2 LYS 73 HG2 LYS 73 0.696 -10.590 0.467 528 HG3 LYS 73 HG1 LYS 73 1.980 -11.785 0.397 529 HD2 LYS 73 HD2 LYS 73 -0.688 -12.159 -0.933 530 HD3 LYS 73 HD1 LYS 73 0.707 -11.439 -1.741 531 HE2 LYS 73 HE2 LYS 73 1.990 -13.507 -1.237 532 HE3 LYS 73 HE1 LYS 73 0.515 -14.219 -0.588 533 HZ1 LYS 73 HZ1 LYS 73 0.878 -14.901 -2.867 534 HZ2 LYS 73 HZ2 LYS 73 0.909 -13.290 -3.379 535 HZ3 LYS 73 HZ3 LYS 73 -0.517 -13.950 -2.761 536 H GLN 74 HN GLN 74 -0.845 -12.308 4.344 537 HA GLN 74 HA GLN 74 -1.935 -14.861 4.662 538 HB2 GLN 74 HB2 GLN 74 -1.569 -12.577 6.604 539 HB3 GLN 74 HB1 GLN 74 -2.164 -14.155 7.103 540 HG2 GLN 74 HG2 GLN 74 0.415 -13.899 5.617 541 HG3 GLN 74 HG1 GLN 74 0.341 -13.593 7.348 542 HE21 GLN 74 HE21 GLN 74 -1.725 -15.973 5.870 543 HE22 GLN 74 HE22 GLN 74 -0.919 -17.356 6.512 544 H ARG 75 HN ARG 75 -3.450 -11.684 5.092 545 HA ARG 75 HA ARG 75 -6.005 -12.947 5.699 546 HB2 ARG 75 HB2 ARG 75 -5.242 -10.028 5.615 547 HB3 ARG 75 HB1 ARG 75 -6.758 -10.681 6.217 548 HG2 ARG 75 HG2 ARG 75 -5.619 -11.785 8.022 549 HG3 ARG 75 HG1 ARG 75 -4.054 -11.298 7.378 550 HD2 ARG 75 HD2 ARG 75 -4.587 -8.967 7.746 551 HD3 ARG 75 HD1 ARG 75 -6.203 -9.398 8.301 552 HE ARG 75 HE ARG 75 -5.332 -9.907 10.350 553 HH11 ARG 75 HH11 ARG 75 -2.691 -9.757 8.040 554 HH12 ARG 75 HH12 ARG 75 -1.464 -9.903 9.256 555 HH21 ARG 75 HH21 ARG 75 -3.710 -10.100 11.931 556 HH22 ARG 75 HH22 ARG 75 -2.040 -10.107 11.460 557 H ALA 76 HN ALA 76 -4.521 -12.596 2.970 558 HA ALA 76 HA ALA 76 -5.043 -12.320 0.787 559 HB1 ALA 76 HB1 ALA 76 -6.673 -14.059 1.371 560 HB2 ALA 76 HB2 ALA 76 -7.263 -12.998 0.093 561 HB3 ALA 76 HB3 ALA 76 -7.861 -12.811 1.742 562 H ILE 77 HN ILE 77 -4.843 -9.918 2.285 563 HA ILE 77 HA ILE 77 -6.954 -8.166 1.336 564 HB ILE 77 HB ILE 77 -4.385 -7.547 2.811 565 HG12 ILE 77 HG12 ILE 77 -7.195 -7.649 3.910 566 HG13 ILE 77 HG11 ILE 77 -6.079 -9.007 3.998 567 HG21 ILE 77 HG21 ILE 77 -6.809 -5.840 2.262 568 HG22 ILE 77 HG22 ILE 77 -5.193 -5.620 1.589 569 HG23 ILE 77 HG23 ILE 77 -5.468 -5.393 3.317 570 HD11 ILE 77 HD11 ILE 77 -6.122 -7.750 6.073 571 HD12 ILE 77 HD12 ILE 77 -5.644 -6.289 5.210 572 HD13 ILE 77 HD13 ILE 77 -4.538 -7.659 5.307 573 HA PRO 78 HA PRO 78 -4.675 -7.234 -2.371 574 HB2 PRO 78 HB2 PRO 78 -6.240 -5.149 -3.177 575 HB3 PRO 78 HB1 PRO 78 -6.605 -6.847 -3.469 576 HG2 PRO 78 HG2 PRO 78 -7.819 -4.964 -1.569 577 HG3 PRO 78 HG1 PRO 78 -8.484 -6.446 -2.266 578 HD2 PRO 78 HD2 PRO 78 -7.466 -6.113 0.331 579 HD3 PRO 78 HD1 PRO 78 -7.882 -7.642 -0.452 580 H PHE 79 HN PHE 79 -3.086 -5.863 -2.919 581 HA PHE 79 HA PHE 79 -2.945 -3.178 -1.914 582 HB2 PHE 79 HB2 PHE 79 -0.798 -3.467 -0.732 583 HB3 PHE 79 HB1 PHE 79 -2.141 -4.264 0.059 584 HD1 PHE 79 HD2 PHE 79 -2.394 -6.780 -0.309 585 HD2 PHE 79 HD1 PHE 79 1.138 -4.608 -1.216 586 HE1 PHE 79 HE2 PHE 79 -1.100 -8.877 -0.242 587 HE2 PHE 79 HE1 PHE 79 2.443 -6.691 -1.145 588 HZ PHE 79 HZ PHE 79 1.325 -8.829 -0.660 589 H ILE 80 HN ILE 80 -1.217 -2.000 -2.781 590 HA ILE 80 HA ILE 80 -0.026 -3.259 -5.172 591 HB ILE 80 HB ILE 80 -0.803 -0.357 -4.833 592 HG12 ILE 80 HG12 ILE 80 -2.066 -2.581 -6.439 593 HG13 ILE 80 HG11 ILE 80 -2.784 -1.721 -5.080 594 HG21 ILE 80 HG21 ILE 80 0.314 -1.826 -7.217 595 HG22 ILE 80 HG22 ILE 80 1.139 -0.595 -6.259 596 HG23 ILE 80 HG23 ILE 80 -0.272 -0.161 -7.227 597 HD11 ILE 80 HD11 ILE 80 -2.806 0.331 -6.396 598 HD12 ILE 80 HD12 ILE 80 -3.709 -0.965 -7.182 599 HD13 ILE 80 HD13 ILE 80 -2.098 -0.538 -7.756 600 H LEU 81 HN LEU 81 2.127 -3.018 -5.465 601 HA LEU 81 HA LEU 81 3.594 -1.857 -3.235 602 HB2 LEU 81 HB2 LEU 81 4.658 -3.343 -5.640 603 HB3 LEU 81 HB1 LEU 81 5.587 -2.854 -4.242 604 HG LEU 81 HG LEU 81 5.235 -5.109 -3.879 605 HD11 LEU 81 HD11 LEU 81 2.978 -3.707 -2.455 606 HD12 LEU 81 HD12 LEU 81 4.644 -3.857 -1.898 607 HD13 LEU 81 HD13 LEU 81 3.625 -5.289 -2.026 608 HD21 LEU 81 HD21 LEU 81 3.624 -5.394 -5.739 609 HD22 LEU 81 HD22 LEU 81 2.343 -4.821 -4.668 610 HD23 LEU 81 HD23 LEU 81 3.207 -6.312 -4.291 611 H HIS 82 HN HIS 82 3.920 0.199 -3.331 612 HA HIS 82 HA HIS 82 4.406 1.490 -5.913 613 HB2 HIS 82 HB2 HIS 82 2.636 2.433 -4.533 614 HB3 HIS 82 HB1 HIS 82 3.714 2.596 -3.164 615 HD1 HIS 82 HD1 HIS 82 3.226 5.130 -3.049 616 HD2 HIS 82 HD2 HIS 82 4.922 3.908 -6.635 617 HE1 HIS 82 HE1 HIS 82 3.724 7.241 -4.318 618 HE2 HIS 82 HE2 HIS 82 4.944 6.483 -6.372 619 H THR 83 HN THR 83 6.482 2.081 -6.453 620 HA THR 83 HA THR 83 8.465 2.706 -4.492 621 HB THR 83 HB THR 83 8.452 0.315 -4.080 622 HG1 THR 83 HG1 THR 83 10.721 -0.061 -5.160 623 HG21 THR 83 HG21 THR 83 8.977 -1.310 -5.832 624 HG22 THR 83 HG22 THR 83 9.008 -0.018 -7.034 625 HG23 THR 83 HG23 THR 83 7.499 -0.426 -6.214 626 H GLY 84 HN GLY 84 10.412 3.428 -5.389 627 HA2 GLY 84 HA2 GLY 84 10.305 3.952 -8.267 628 HA3 GLY 84 HA1 GLY 84 11.376 4.729 -7.109 629 H ASP 85 HN ASP 85 11.616 1.701 -6.178 630 HA ASP 85 HA ASP 85 13.779 1.072 -8.074 631 HB2 ASP 85 HB2 ASP 85 14.755 1.599 -5.932 632 HB3 ASP 85 HB1 ASP 85 13.624 0.533 -5.103 633 H LEU 86 HN LEU 86 13.165 -0.501 -9.351 634 HA LEU 86 HA LEU 86 11.601 -2.732 -8.239 635 HB2 LEU 86 HB2 LEU 86 12.055 -1.953 -11.125 636 HB3 LEU 86 HB1 LEU 86 11.039 -3.266 -10.565 637 HG LEU 86 HG LEU 86 10.535 -0.349 -9.959 638 HD11 LEU 86 HD11 LEU 86 10.280 -0.807 -12.343 639 HD12 LEU 86 HD12 LEU 86 8.714 -0.531 -11.582 640 HD13 LEU 86 HD13 LEU 86 9.227 -2.172 -11.976 641 HD21 LEU 86 HD21 LEU 86 8.344 -1.143 -9.237 642 HD22 LEU 86 HD22 LEU 86 9.638 -1.867 -8.283 643 HD23 LEU 86 HD23 LEU 86 8.842 -2.807 -9.546 644 H ASP 87 HN ASP 87 14.691 -1.821 -9.080 645 HA ASP 87 HA ASP 87 15.535 -4.331 -10.247 646 HB2 ASP 87 HB2 ASP 87 17.114 -1.886 -9.440 647 HB3 ASP 87 HB1 ASP 87 17.806 -3.301 -10.222 648 H ARG 88 HN ARG 88 16.493 -2.485 -7.341 649 HA ARG 88 HA ARG 88 18.045 -4.665 -6.345 650 HB2 ARG 88 HB2 ARG 88 18.594 -2.323 -5.852 651 HB3 ARG 88 HB1 ARG 88 17.115 -2.183 -4.906 652 HG2 ARG 88 HG2 ARG 88 17.920 -3.508 -3.203 653 HG3 ARG 88 HG1 ARG 88 19.098 -4.312 -4.244 654 HD2 ARG 88 HD2 ARG 88 20.351 -2.199 -4.390 655 HD3 ARG 88 HD1 ARG 88 19.215 -1.469 -3.255 656 HE ARG 88 HE ARG 88 20.252 -3.823 -2.129 657 HH11 ARG 88 HH11 ARG 88 21.310 -0.601 -2.986 658 HH12 ARG 88 HH12 ARG 88 22.533 -0.543 -1.758 659 HH21 ARG 88 HH21 ARG 88 21.871 -3.763 -0.538 660 HH22 ARG 88 HH22 ARG 88 22.851 -2.342 -0.355 661 H HIS 89 HN HIS 89 14.856 -3.343 -5.597 662 HA HIS 89 HA HIS 89 14.423 -5.438 -3.619 663 HB2 HIS 89 HB2 HIS 89 12.775 -3.065 -4.463 664 HB3 HIS 89 HB1 HIS 89 12.179 -4.287 -3.344 665 HD1 HIS 89 HD1 HIS 89 13.955 -4.645 -1.192 666 HD2 HIS 89 HD2 HIS 89 13.963 -1.011 -3.208 667 HE1 HIS 89 HE1 HIS 89 15.029 -2.999 0.379 668 HE2 HIS 89 HE2 HIS 89 15.178 -0.856 -0.936 669 H GLY 90 HN GLY 90 14.610 -5.916 -6.590 670 HA2 GLY 90 HA2 GLY 90 12.067 -6.560 -7.606 671 HA3 GLY 90 HA1 GLY 90 13.587 -7.222 -8.174 672 H GLU 91 HN GLU 91 14.393 -8.473 -5.756 673 HA GLU 91 HA GLU 91 13.078 -10.948 -5.968 674 HB2 GLU 91 HB2 GLU 91 15.367 -10.762 -5.133 675 HB3 GLU 91 HB1 GLU 91 14.800 -9.877 -3.724 676 HG2 GLU 91 HG2 GLU 91 13.503 -11.865 -3.045 677 HG3 GLU 91 HG1 GLU 91 14.194 -12.742 -4.408 678 H LEU 92 HN LEU 92 12.771 -8.310 -3.649 679 HA LEU 92 HA LEU 92 10.909 -9.462 -1.909 680 HB2 LEU 92 HB2 LEU 92 12.076 -7.400 -1.393 681 HB3 LEU 92 HB1 LEU 92 11.293 -6.586 -2.732 682 HG LEU 92 HG LEU 92 9.106 -6.891 -1.578 683 HD11 LEU 92 HD11 LEU 92 9.088 -7.500 0.777 684 HD12 LEU 92 HD12 LEU 92 10.822 -7.817 0.720 685 HD13 LEU 92 HD13 LEU 92 9.712 -8.826 -0.206 686 HD21 LEU 92 HD21 LEU 92 9.480 -5.139 0.061 687 HD22 LEU 92 HD22 LEU 92 10.385 -4.810 -1.417 688 HD23 LEU 92 HD23 LEU 92 11.217 -5.437 0.006 689 H LEU 93 HN LEU 93 10.425 -7.477 -4.802 690 HA LEU 93 HA LEU 93 7.633 -7.381 -4.747 691 HB2 LEU 93 HB2 LEU 93 9.482 -7.320 -7.133 692 HB3 LEU 93 HB1 LEU 93 7.827 -6.747 -7.105 693 HG LEU 93 HG LEU 93 9.990 -5.581 -5.368 694 HD11 LEU 93 HD11 LEU 93 10.050 -3.736 -6.993 695 HD12 LEU 93 HD12 LEU 93 9.010 -4.676 -8.066 696 HD13 LEU 93 HD13 LEU 93 10.626 -5.258 -7.672 697 HD21 LEU 93 HD21 LEU 93 7.256 -4.593 -6.170 698 HD22 LEU 93 HD22 LEU 93 8.423 -3.706 -5.190 699 HD23 LEU 93 HD23 LEU 93 7.719 -5.203 -4.582 700 H ARG 94 HN ARG 94 9.844 -9.693 -6.241 701 HA ARG 94 HA ARG 94 7.840 -11.247 -7.522 702 HB2 ARG 94 HB2 ARG 94 10.672 -11.936 -6.724 703 HB3 ARG 94 HB1 ARG 94 9.652 -12.949 -7.738 704 HG2 ARG 94 HG2 ARG 94 9.563 -11.247 -9.437 705 HG3 ARG 94 HG1 ARG 94 10.447 -10.123 -8.403 706 HD2 ARG 94 HD2 ARG 94 11.930 -11.088 -10.061 707 HD3 ARG 94 HD1 ARG 94 12.385 -11.627 -8.445 708 HE ARG 94 HE ARG 94 10.754 -13.601 -9.334 709 HH11 ARG 94 HH11 ARG 94 13.605 -12.055 -10.648 710 HH12 ARG 94 HH12 ARG 94 14.130 -13.465 -11.510 711 HH21 ARG 94 HH21 ARG 94 11.436 -15.462 -10.473 712 HH22 ARG 94 HH22 ARG 94 12.901 -15.407 -11.406 713 H LYS 95 HN LYS 95 9.092 -11.176 -4.289 714 HA LYS 95 HA LYS 95 8.123 -13.739 -3.511 715 HB2 LYS 95 HB2 LYS 95 9.956 -12.944 -2.285 716 HB3 LYS 95 HB1 LYS 95 9.258 -11.336 -2.122 717 HG2 LYS 95 HG2 LYS 95 7.522 -12.303 -0.699 718 HG3 LYS 95 HG1 LYS 95 8.369 -13.844 -0.748 719 HD2 LYS 95 HD2 LYS 95 9.503 -11.246 0.297 720 HD3 LYS 95 HD1 LYS 95 8.904 -12.574 1.292 721 HE2 LYS 95 HE2 LYS 95 10.619 -14.046 0.311 722 HE3 LYS 95 HE1 LYS 95 11.232 -12.685 -0.625 723 HZ1 LYS 95 HZ1 LYS 95 11.741 -11.543 1.442 724 HZ2 LYS 95 HZ2 LYS 95 12.534 -13.032 1.371 725 HZ3 LYS 95 HZ3 LYS 95 11.162 -12.854 2.339 726 H ILE 96 HN ILE 96 6.970 -10.473 -3.558 727 HA ILE 96 HA ILE 96 4.666 -10.916 -1.925 728 HB ILE 96 HB ILE 96 5.388 -8.672 -3.815 729 HG12 ILE 96 HG12 ILE 96 5.511 -8.794 -0.795 730 HG13 ILE 96 HG11 ILE 96 6.900 -9.003 -1.855 731 HG21 ILE 96 HG21 ILE 96 3.188 -8.852 -1.770 732 HG22 ILE 96 HG22 ILE 96 2.999 -8.764 -3.522 733 HG23 ILE 96 HG23 ILE 96 3.657 -7.390 -2.634 734 HD11 ILE 96 HD11 ILE 96 6.791 -6.753 -0.932 735 HD12 ILE 96 HD12 ILE 96 5.201 -6.529 -1.661 736 HD13 ILE 96 HD13 ILE 96 6.620 -6.738 -2.686 737 H ASP 97 HN ASP 97 5.170 -10.315 -5.397 738 HA ASP 97 HA ASP 97 3.952 -10.770 -7.246 739 HB2 ASP 97 HB2 ASP 97 4.132 -13.112 -6.499 740 HB3 ASP 97 HB1 ASP 97 2.659 -12.920 -5.554 741 H ALA 98 HN ALA 98 3.053 -8.674 -6.872 742 HA ALA 98 HA ALA 98 0.178 -8.721 -7.014 743 HB1 ALA 98 HB1 ALA 98 1.515 -7.146 -4.804 744 HB2 ALA 98 HB2 ALA 98 0.527 -8.587 -4.575 745 HB3 ALA 98 HB3 ALA 98 -0.199 -7.112 -5.212 746 HA PRO 99 HA PRO 99 0.789 -5.300 -9.739 747 HB2 PRO 99 HB2 PRO 99 -1.011 -3.588 -8.112 748 HB3 PRO 99 HB1 PRO 99 -1.106 -4.010 -9.823 749 HG2 PRO 99 HG2 PRO 99 -2.768 -5.124 -8.091 750 HG3 PRO 99 HG1 PRO 99 -2.030 -6.094 -9.378 751 HD2 PRO 99 HD2 PRO 99 -1.287 -5.931 -6.483 752 HD3 PRO 99 HD1 PRO 99 -1.426 -7.361 -7.531 753 H VAL 100 HN VAL 100 2.199 -3.674 -10.018 754 HA VAL 100 HA VAL 100 3.270 -2.355 -7.611 755 HB VAL 100 HB VAL 100 4.800 -3.088 -10.121 756 HG11 VAL 100 HG11 VAL 100 5.698 -1.110 -9.045 757 HG12 VAL 100 HG12 VAL 100 6.786 -2.478 -8.805 758 HG13 VAL 100 HG13 VAL 100 5.735 -1.945 -7.492 759 HG21 VAL 100 HG21 VAL 100 5.926 -4.771 -8.756 760 HG22 VAL 100 HG22 VAL 100 4.193 -5.083 -8.852 761 HG23 VAL 100 HG23 VAL 100 4.883 -4.374 -7.392 762 H MET 101 HN MET 101 3.662 -0.183 -7.699 763 HA MET 101 HA MET 101 3.138 1.219 -10.240 764 HB2 MET 101 HB2 MET 101 2.271 2.017 -7.454 765 HB3 MET 101 HB1 MET 101 2.266 3.126 -8.817 766 HG2 MET 101 HG2 MET 101 0.769 0.526 -8.843 767 HG3 MET 101 HG1 MET 101 0.069 2.023 -8.230 768 HE1 MET 101 HE1 MET 101 0.670 4.333 -9.950 769 HE2 MET 101 HE2 MET 101 -1.003 3.830 -9.695 770 HE3 MET 101 HE3 MET 101 -0.432 4.207 -11.320 771 H ALA 102 HN ALA 102 5.016 2.008 -10.909 772 HA ALA 102 HA ALA 102 7.243 2.298 -9.135 773 HB1 ALA 102 HB1 ALA 102 7.513 1.464 -11.415 774 HB2 ALA 102 HB2 ALA 102 8.495 2.903 -11.133 775 HB3 ALA 102 HB3 ALA 102 6.994 3.026 -12.050 776 H LYS 103 HN LYS 103 8.411 4.158 -8.649 777 HA LYS 103 HA LYS 103 6.880 6.641 -8.658 778 HB2 LYS 103 HB2 LYS 103 9.413 5.781 -7.269 779 HB3 LYS 103 HB1 LYS 103 8.896 7.457 -7.288 780 HG2 LYS 103 HG2 LYS 103 6.822 6.841 -6.172 781 HG3 LYS 103 HG1 LYS 103 7.318 5.151 -6.171 782 HD2 LYS 103 HD2 LYS 103 9.012 5.525 -4.601 783 HD3 LYS 103 HD1 LYS 103 9.028 7.265 -4.898 784 HE2 LYS 103 HE2 LYS 103 6.951 7.562 -3.783 785 HE3 LYS 103 HE1 LYS 103 6.657 5.828 -3.733 786 HZ1 LYS 103 HZ1 LYS 103 7.345 6.706 -1.579 787 HZ2 LYS 103 HZ2 LYS 103 8.823 7.222 -2.236 788 HZ3 LYS 103 HZ3 LYS 103 8.449 5.566 -2.166 789 HA PRO 104 HA PRO 104 7.273 8.827 -8.474 790 HB2 PRO 104 HB2 PRO 104 6.517 10.526 -10.698 791 HB3 PRO 104 HB1 PRO 104 7.397 10.956 -9.233 792 HG2 PRO 104 HG2 PRO 104 8.541 10.930 -11.702 793 HG3 PRO 104 HG1 PRO 104 9.443 10.628 -10.206 794 HD2 PRO 104 HD2 PRO 104 8.381 8.669 -12.208 795 HD3 PRO 104 HD1 PRO 104 9.938 8.674 -11.352 796 H ALA 105 HN ALA 105 5.081 8.783 -8.159 797 HA ALA 105 HA ALA 105 3.380 7.799 -10.342 798 HB1 ALA 105 HB1 ALA 105 3.455 6.647 -7.547 799 HB2 ALA 105 HB2 ALA 105 3.975 5.836 -9.032 800 HB3 ALA 105 HB3 ALA 105 2.270 6.237 -8.798 801 H ASP 106 HN ASP 106 1.481 8.856 -10.455 802 HA ASP 106 HA ASP 106 0.910 10.941 -8.569 803 HB2 ASP 106 HB2 ASP 106 0.288 10.978 -11.046 804 HB3 ASP 106 HB1 ASP 106 -1.002 9.850 -10.639 805 H THR 107 HN THR 107 -0.360 10.859 -6.839 806 HA THR 107 HA THR 107 -0.793 8.306 -5.738 807 HB THR 107 HB THR 107 -1.825 9.575 -3.836 808 HG1 THR 107 HG1 THR 107 -2.181 11.674 -4.029 809 HG21 THR 107 HG21 THR 107 0.583 9.040 -3.980 810 HG22 THR 107 HG22 THR 107 0.290 10.567 -3.150 811 HG23 THR 107 HG23 THR 107 0.854 10.568 -4.822 812 H SER 108 HN SER 108 -2.820 10.300 -7.673 813 HA SER 108 HA SER 108 -5.301 9.226 -6.752 814 HB2 SER 108 HB2 SER 108 -6.236 10.169 -8.848 815 HB3 SER 108 HB1 SER 108 -5.262 11.343 -7.967 816 HG SER 108 HG SER 108 -3.606 11.070 -9.425 817 H ASP 109 HN ASP 109 -3.042 8.413 -9.354 818 HA ASP 109 HA ASP 109 -4.553 6.275 -10.448 819 HB2 ASP 109 HB2 ASP 109 -1.617 6.953 -10.539 820 HB3 ASP 109 HB1 ASP 109 -2.274 5.527 -11.333 821 H VAL 110 HN VAL 110 -2.035 6.480 -8.016 822 HA VAL 110 HA VAL 110 -1.762 3.730 -7.522 823 HB VAL 110 HB VAL 110 -1.419 5.919 -5.475 824 HG11 VAL 110 HG11 VAL 110 -1.375 3.559 -4.697 825 HG12 VAL 110 HG12 VAL 110 0.143 4.423 -4.440 826 HG13 VAL 110 HG13 VAL 110 -0.005 3.276 -5.773 827 HG21 VAL 110 HG21 VAL 110 0.559 4.939 -7.532 828 HG22 VAL 110 HG22 VAL 110 0.906 6.077 -6.229 829 HG23 VAL 110 HG23 VAL 110 -0.220 6.521 -7.515 830 H ALA 111 HN ALA 111 -3.846 6.205 -6.094 831 HA ALA 111 HA ALA 111 -4.998 4.587 -4.089 832 HB1 ALA 111 HB1 ALA 111 -5.009 7.034 -4.000 833 HB2 ALA 111 HB2 ALA 111 -6.634 6.369 -3.843 834 HB3 ALA 111 HB3 ALA 111 -6.115 7.077 -5.373 835 H LYS 112 HN LYS 112 -6.217 5.594 -7.278 836 HA LYS 112 HA LYS 112 -8.706 4.337 -7.051 837 HB2 LYS 112 HB2 LYS 112 -7.093 5.051 -9.501 838 HB3 LYS 112 HB1 LYS 112 -8.756 4.472 -9.556 839 HG2 LYS 112 HG2 LYS 112 -9.386 6.404 -8.095 840 HG3 LYS 112 HG1 LYS 112 -7.744 7.013 -8.302 841 HD2 LYS 112 HD2 LYS 112 -9.176 8.119 -9.875 842 HD3 LYS 112 HD1 LYS 112 -8.119 7.018 -10.759 843 HE2 LYS 112 HE2 LYS 112 -9.890 5.397 -10.953 844 HE3 LYS 112 HE1 LYS 112 -10.941 6.365 -9.923 845 HZ1 LYS 112 HZ1 LYS 112 -10.867 8.114 -11.625 846 HZ2 LYS 112 HZ2 LYS 112 -11.542 6.676 -12.204 847 HZ3 LYS 112 HZ3 LYS 112 -9.958 7.094 -12.624 848 H ARG 113 HN ARG 113 -5.696 3.163 -8.551 849 HA ARG 113 HA ARG 113 -6.734 0.695 -9.393 850 HB2 ARG 113 HB2 ARG 113 -3.979 1.711 -8.859 851 HB3 ARG 113 HB1 ARG 113 -4.234 0.009 -9.231 852 HG2 ARG 113 HG2 ARG 113 -5.184 2.276 -10.965 853 HG3 ARG 113 HG1 ARG 113 -3.665 1.419 -11.188 854 HD2 ARG 113 HD2 ARG 113 -4.935 -0.695 -11.418 855 HD3 ARG 113 HD1 ARG 113 -6.431 0.232 -11.311 856 HE ARG 113 HE ARG 113 -4.879 1.320 -13.366 857 HH11 ARG 113 HH11 ARG 113 -6.601 -1.644 -12.640 858 HH12 ARG 113 HH12 ARG 113 -6.932 -2.006 -14.303 859 HH21 ARG 113 HH21 ARG 113 -5.297 0.831 -15.559 860 HH22 ARG 113 HH22 ARG 113 -6.204 -0.590 -15.967 861 H ALA 114 HN ALA 114 -5.315 1.706 -6.328 862 HA ALA 114 HA ALA 114 -5.178 -0.874 -5.172 863 HB1 ALA 114 HB1 ALA 114 -5.408 1.849 -3.891 864 HB2 ALA 114 HB2 ALA 114 -3.925 0.935 -4.183 865 HB3 ALA 114 HB3 ALA 114 -5.109 0.354 -3.003 866 H LEU 115 HN LEU 115 -7.646 1.682 -5.069 867 HA LEU 115 HA LEU 115 -9.441 0.229 -3.443 868 HB2 LEU 115 HB2 LEU 115 -9.840 2.588 -5.253 869 HB3 LEU 115 HB1 LEU 115 -11.095 1.937 -4.213 870 HG LEU 115 HG LEU 115 -8.454 3.071 -3.292 871 HD11 LEU 115 HD11 LEU 115 -9.922 4.805 -4.039 872 HD12 LEU 115 HD12 LEU 115 -9.874 4.804 -2.274 873 HD13 LEU 115 HD13 LEU 115 -11.260 4.116 -3.122 874 HD21 LEU 115 HD21 LEU 115 -10.772 1.940 -1.732 875 HD22 LEU 115 HD22 LEU 115 -9.422 2.832 -1.032 876 HD23 LEU 115 HD23 LEU 115 -9.137 1.285 -1.826 877 H GLU 116 HN GLU 116 -8.902 0.301 -6.897 878 HA GLU 116 HA GLU 116 -11.207 -0.967 -7.798 879 HB2 GLU 116 HB2 GLU 116 -8.343 -1.159 -8.707 880 HB3 GLU 116 HB1 GLU 116 -9.637 -2.018 -9.527 881 HG2 GLU 116 HG2 GLU 116 -9.473 0.961 -9.158 882 HG3 GLU 116 HG1 GLU 116 -9.077 0.081 -10.633 883 H MET 117 HN MET 117 -8.225 -2.381 -6.511 884 HA MET 117 HA MET 117 -9.230 -5.058 -6.641 885 HB2 MET 117 HB2 MET 117 -6.885 -3.954 -5.095 886 HB3 MET 117 HB1 MET 117 -7.219 -5.658 -5.368 887 HG2 MET 117 HG2 MET 117 -7.002 -5.228 -7.810 888 HG3 MET 117 HG1 MET 117 -6.477 -3.593 -7.419 889 HE1 MET 117 HE1 MET 117 -3.259 -4.410 -5.246 890 HE2 MET 117 HE2 MET 117 -4.896 -4.447 -4.592 891 HE3 MET 117 HE3 MET 117 -4.418 -3.161 -5.704 892 H CYS 118 HN CYS 118 -9.327 -2.483 -4.349 893 HA CYS 118 HA CYS 118 -9.628 -3.882 -1.953 894 HB2 CYS 118 HB2 CYS 118 -9.247 -1.462 -2.054 895 HB3 CYS 118 HB1 CYS 118 -10.845 -1.232 -2.754 896 HG CYS 118 HG CYS 118 -12.280 -1.668 -0.544 897 H GLY 119 HN GLY 119 -12.144 -2.626 -4.138 898 HA2 GLY 119 HA2 GLY 119 -13.907 -4.759 -3.211 899 HA3 GLY 119 HA1 GLY 119 -14.450 -3.104 -2.987 900 H GLY 120 HN GLY 120 -14.995 -5.620 -4.832 901 HA2 GLY 120 HA2 GLY 120 -14.823 -4.629 -7.482 902 HA3 GLY 120 HA1 GLY 120 -15.894 -5.913 -6.930 903 H ASP 121 HN ASP 121 -17.094 -4.194 -4.899 904 HA ASP 121 HA ASP 121 -18.979 -2.788 -6.619 905 HB2 ASP 121 HB2 ASP 121 -19.067 -3.348 -3.644 906 HB3 ASP 121 HB1 ASP 121 -20.357 -2.602 -4.577 907 H LYS 122 HN LYS 122 -18.972 -0.644 -6.841 908 HA LYS 122 HA LYS 122 -17.095 0.957 -5.324 909 HB2 LYS 122 HB2 LYS 122 -18.893 1.459 -7.667 910 HB3 LYS 122 HB1 LYS 122 -18.260 2.823 -6.761 911 HG2 LYS 122 HG2 LYS 122 -16.852 2.424 -8.649 912 HG3 LYS 122 HG1 LYS 122 -15.971 1.991 -7.187 913 HD2 LYS 122 HD2 LYS 122 -16.499 -0.376 -7.589 914 HD3 LYS 122 HD1 LYS 122 -17.350 0.077 -9.069 915 HE2 LYS 122 HE2 LYS 122 -15.114 -0.703 -9.589 916 HE3 LYS 122 HE1 LYS 122 -15.266 1.012 -9.966 917 HZ1 LYS 122 HZ1 LYS 122 -14.190 1.489 -7.817 918 HZ2 LYS 122 HZ2 LYS 122 -13.187 0.623 -8.870 919 HZ3 LYS 122 HZ3 LYS 122 -13.953 -0.168 -7.580 920 H GLU 123 HN GLU 123 -17.711 2.878 -4.173 921 HA GLU 123 HA GLU 123 -19.943 2.459 -2.449 922 HB2 GLU 123 HB2 GLU 123 -18.106 4.845 -2.731 923 HB3 GLU 123 HB1 GLU 123 -19.294 4.649 -1.456 924 HG2 GLU 123 HG2 GLU 123 -17.182 4.082 -0.550 925 HG3 GLU 123 HG1 GLU 123 -18.079 2.579 -0.753 926 HA PRO 124 HA PRO 124 -22.707 4.573 -5.253 927 HB2 PRO 124 HB2 PRO 124 -25.000 3.807 -4.121 928 HB3 PRO 124 HB1 PRO 124 -23.976 2.649 -4.980 929 HG2 PRO 124 HG2 PRO 124 -24.229 3.131 -2.034 930 HG3 PRO 124 HG1 PRO 124 -24.142 1.593 -2.911 931 HD2 PRO 124 HD2 PRO 124 -22.002 2.779 -1.660 932 HD3 PRO 124 HD1 PRO 124 -21.863 1.651 -3.021 933 H ALA 125 HN ALA 125 -21.450 6.098 -3.131 934 HA ALA 125 HA ALA 125 -23.550 8.047 -2.683 935 HB1 ALA 125 HB1 ALA 125 -23.147 8.208 -0.281 936 HB2 ALA 125 HB2 ALA 125 -22.015 6.860 -0.372 937 HB3 ALA 125 HB3 ALA 125 -23.725 6.601 -0.717 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 -14.134 -2.864 3.906 2 H2 GLY 1 HT2 GLY 1 -15.722 -3.286 4.323 3 H3 GLY 1 HT3 GLY 1 -14.552 -3.100 5.528 4 HA2 GLY 1 HA1 GLY 1 -14.343 -0.733 4.935 5 HA3 GLY 1 HA2 GLY 1 -15.672 -0.963 3.807 6 H ALA 2 HN ALA 2 -14.769 -1.241 7.209 7 HA ALA 2 HA ALA 2 -17.218 -1.931 8.291 8 HB1 ALA 2 HB1 ALA 2 -15.076 -0.233 9.557 9 HB2 ALA 2 HB2 ALA 2 -15.112 -1.996 9.518 10 HB3 ALA 2 HB3 ALA 2 -16.350 -1.108 10.408 11 H MET 3 HN MET 3 -15.958 1.314 7.631 12 HA MET 3 HA MET 3 -18.467 2.457 8.638 13 HB2 MET 3 HB2 MET 3 -15.826 3.766 7.996 14 HB3 MET 3 HB1 MET 3 -17.246 4.614 8.591 15 HG2 MET 3 HG2 MET 3 -15.730 2.463 10.053 16 HG3 MET 3 HG1 MET 3 -15.650 4.193 10.375 17 HE1 MET 3 HE1 MET 3 -16.240 2.044 12.628 18 HE2 MET 3 HE2 MET 3 -17.559 2.820 13.504 19 HE3 MET 3 HE3 MET 3 -16.190 3.779 12.939 20 H GLY 4 HN GLY 4 -18.162 1.127 6.014 21 HA2 GLY 4 HA2 GLY 4 -19.047 1.442 3.914 22 HA3 GLY 4 HA1 GLY 4 -19.583 3.035 4.429 23 H MET 5 HN MET 5 -16.326 2.206 4.806 24 HA MET 5 HA MET 5 -15.452 3.512 2.351 25 HB2 MET 5 HB2 MET 5 -14.748 4.422 5.149 26 HB3 MET 5 HB1 MET 5 -13.819 4.878 3.731 27 HG2 MET 5 HG2 MET 5 -15.579 6.140 2.846 28 HG3 MET 5 HG1 MET 5 -16.749 5.419 3.938 29 HE1 MET 5 HE1 MET 5 -13.157 7.022 4.560 30 HE2 MET 5 HE2 MET 5 -13.656 8.647 5.034 31 HE3 MET 5 HE3 MET 5 -13.995 8.060 3.405 32 HA PRO 6 HA PRO 6 -12.511 0.200 2.668 33 HB2 PRO 6 HB2 PRO 6 -10.644 1.774 1.097 34 HB3 PRO 6 HB1 PRO 6 -11.475 0.284 0.680 35 HG2 PRO 6 HG2 PRO 6 -12.017 2.745 -0.412 36 HG3 PRO 6 HG1 PRO 6 -13.129 1.376 -0.404 37 HD2 PRO 6 HD2 PRO 6 -13.139 3.822 1.217 38 HD3 PRO 6 HD1 PRO 6 -14.486 2.769 0.787 39 H LYS 7 HN LYS 7 -11.133 -0.191 4.228 40 HA LYS 7 HA LYS 7 -9.775 2.001 5.565 41 HB2 LYS 7 HB2 LYS 7 -10.879 -0.016 6.716 42 HB3 LYS 7 HB1 LYS 7 -9.488 -0.940 6.170 43 HG2 LYS 7 HG2 LYS 7 -9.023 -0.316 8.380 44 HG3 LYS 7 HG1 LYS 7 -8.053 0.760 7.367 45 HD2 LYS 7 HD2 LYS 7 -9.798 2.491 7.597 46 HD3 LYS 7 HD1 LYS 7 -10.694 1.417 8.672 47 HE2 LYS 7 HE2 LYS 7 -8.470 1.358 10.017 48 HE3 LYS 7 HE1 LYS 7 -8.104 2.834 9.130 49 HZ1 LYS 7 HZ1 LYS 7 -10.101 3.841 9.997 50 HZ2 LYS 7 HZ2 LYS 7 -9.155 3.265 11.280 51 HZ3 LYS 7 HZ3 LYS 7 -10.522 2.405 10.789 52 H VAL 8 HN VAL 8 -8.047 2.739 4.510 53 HA VAL 8 HA VAL 8 -6.461 0.864 2.913 54 HB VAL 8 HB VAL 8 -6.474 3.887 2.858 55 HG11 VAL 8 HG11 VAL 8 -4.365 2.929 2.100 56 HG12 VAL 8 HG12 VAL 8 -5.259 3.634 0.751 57 HG13 VAL 8 HG13 VAL 8 -5.235 1.884 0.974 58 HG21 VAL 8 HG21 VAL 8 -7.769 3.689 0.810 59 HG22 VAL 8 HG22 VAL 8 -8.619 2.904 2.144 60 HG23 VAL 8 HG23 VAL 8 -7.758 1.930 0.950 61 H LEU 9 HN LEU 9 -4.527 0.275 3.516 62 HA LEU 9 HA LEU 9 -3.187 1.695 5.705 63 HB2 LEU 9 HB2 LEU 9 -3.704 -0.716 5.938 64 HB3 LEU 9 HB1 LEU 9 -2.695 -1.052 4.561 65 HG LEU 9 HG LEU 9 -1.723 -1.524 6.827 66 HD11 LEU 9 HD11 LEU 9 0.499 -0.704 6.258 67 HD12 LEU 9 HD12 LEU 9 -0.213 0.363 5.047 68 HD13 LEU 9 HD13 LEU 9 -0.329 -1.385 4.857 69 HD21 LEU 9 HD21 LEU 9 -2.530 0.428 7.999 70 HD22 LEU 9 HD22 LEU 9 -1.571 1.477 6.949 71 HD23 LEU 9 HD23 LEU 9 -0.768 0.363 8.057 72 H VAL 10 HN VAL 10 -1.763 3.188 5.005 73 HA VAL 10 HA VAL 10 -0.376 2.733 2.468 74 HB VAL 10 HB VAL 10 -0.743 5.202 4.156 75 HG11 VAL 10 HG11 VAL 10 1.075 4.906 1.757 76 HG12 VAL 10 HG12 VAL 10 1.598 5.175 3.420 77 HG13 VAL 10 HG13 VAL 10 0.678 6.420 2.573 78 HG21 VAL 10 HG21 VAL 10 -1.737 6.078 2.109 79 HG22 VAL 10 HG22 VAL 10 -2.530 4.579 2.599 80 HG23 VAL 10 HG23 VAL 10 -1.364 4.567 1.272 81 H LEU 11 HN LEU 11 1.589 2.016 2.392 82 HA LEU 11 HA LEU 11 3.359 2.281 4.722 83 HB2 LEU 11 HB2 LEU 11 2.848 0.119 2.952 84 HB3 LEU 11 HB1 LEU 11 4.475 0.682 2.612 85 HG LEU 11 HG LEU 11 4.612 -1.098 4.223 86 HD11 LEU 11 HD11 LEU 11 5.822 -0.030 5.972 87 HD12 LEU 11 HD12 LEU 11 4.904 1.467 5.792 88 HD13 LEU 11 HD13 LEU 11 6.049 0.974 4.537 89 HD21 LEU 11 HD21 LEU 11 2.255 -0.819 4.989 90 HD22 LEU 11 HD22 LEU 11 2.798 0.526 5.992 91 HD23 LEU 11 HD23 LEU 11 3.427 -1.097 6.274 92 H GLU 12 HN GLU 12 4.309 4.205 4.510 93 HA GLU 12 HA GLU 12 6.034 4.685 2.259 94 HB2 GLU 12 HB2 GLU 12 3.937 5.514 1.327 95 HB3 GLU 12 HB1 GLU 12 3.653 6.487 2.762 96 HG2 GLU 12 HG2 GLU 12 4.433 7.776 0.819 97 HG3 GLU 12 HG1 GLU 12 5.484 7.923 2.223 98 H ASP 13 HN ASP 13 7.819 5.418 3.137 99 HA ASP 13 HA ASP 13 7.848 6.395 5.843 100 HB2 ASP 13 HB2 ASP 13 9.616 4.904 5.031 101 HB3 ASP 13 HB1 ASP 13 10.079 6.094 3.829 102 H GLU 14 HN GLU 14 7.762 7.745 2.690 103 HA GLU 14 HA GLU 14 8.643 10.370 3.564 104 HB2 GLU 14 HB2 GLU 14 7.748 9.231 0.940 105 HB3 GLU 14 HB1 GLU 14 7.922 10.969 1.168 106 HG2 GLU 14 HG2 GLU 14 10.071 8.897 1.525 107 HG3 GLU 14 HG1 GLU 14 9.921 10.045 0.199 108 HA PRO 15 HA PRO 15 4.467 11.116 5.069 109 HB2 PRO 15 HB2 PRO 15 5.638 13.777 5.529 110 HB3 PRO 15 HB1 PRO 15 4.772 12.723 6.644 111 HG2 PRO 15 HG2 PRO 15 7.405 13.005 6.849 112 HG3 PRO 15 HG1 PRO 15 6.646 11.417 7.071 113 HD2 PRO 15 HD2 PRO 15 8.101 12.504 4.689 114 HD3 PRO 15 HD1 PRO 15 8.183 10.887 5.419 115 H LEU 16 HN LEU 16 6.261 13.127 2.803 116 HA LEU 16 HA LEU 16 4.081 14.760 2.030 117 HB2 LEU 16 HB2 LEU 16 6.719 14.792 1.501 118 HB3 LEU 16 HB1 LEU 16 6.146 14.060 0.016 119 HG LEU 16 HG LEU 16 5.300 16.740 1.107 120 HD11 LEU 16 HD11 LEU 16 7.571 16.751 0.250 121 HD12 LEU 16 HD12 LEU 16 6.494 17.637 -0.829 122 HD13 LEU 16 HD13 LEU 16 7.021 16.008 -1.251 123 HD21 LEU 16 HD21 LEU 16 4.523 15.316 -1.420 124 HD22 LEU 16 HD22 LEU 16 4.182 17.010 -1.069 125 HD23 LEU 16 HD23 LEU 16 3.466 15.741 -0.071 126 H ILE 17 HN ILE 17 5.472 11.830 0.600 127 HA ILE 17 HA ILE 17 3.487 11.441 -1.390 128 HB ILE 17 HB ILE 17 5.313 9.435 -0.043 129 HG12 ILE 17 HG12 ILE 17 5.636 10.977 -2.614 130 HG13 ILE 17 HG11 ILE 17 6.518 11.248 -1.129 131 HG21 ILE 17 HG21 ILE 17 3.648 9.239 -2.528 132 HG22 ILE 17 HG22 ILE 17 3.591 8.211 -1.090 133 HG23 ILE 17 HG23 ILE 17 4.988 8.157 -2.165 134 HD11 ILE 17 HD11 ILE 17 7.535 9.049 -1.313 135 HD12 ILE 17 HD12 ILE 17 7.863 10.037 -2.735 136 HD13 ILE 17 HD13 ILE 17 6.644 8.765 -2.808 137 H ALA 18 HN ALA 18 3.934 10.106 1.866 138 HA ALA 18 HA ALA 18 1.749 8.398 1.964 139 HB1 ALA 18 HB1 ALA 18 2.885 10.051 4.218 140 HB2 ALA 18 HB2 ALA 18 3.503 8.491 3.676 141 HB3 ALA 18 HB3 ALA 18 1.892 8.603 4.386 142 H MET 19 HN MET 19 1.934 11.806 2.940 143 HA MET 19 HA MET 19 -0.723 12.216 3.616 144 HB2 MET 19 HB2 MET 19 1.165 13.744 4.078 145 HB3 MET 19 HB1 MET 19 1.208 14.155 2.368 146 HG2 MET 19 HG2 MET 19 -1.075 15.015 2.538 147 HG3 MET 19 HG1 MET 19 -1.057 14.652 4.260 148 HE1 MET 19 HE1 MET 19 0.837 16.551 1.426 149 HE2 MET 19 HE2 MET 19 2.159 15.913 2.403 150 HE3 MET 19 HE3 MET 19 1.868 17.651 2.344 151 H ASN 20 HN ASN 20 0.915 12.512 0.499 152 HA ASN 20 HA ASN 20 -1.284 13.604 -0.891 153 HB2 ASN 20 HB2 ASN 20 1.414 12.606 -1.513 154 HB3 ASN 20 HB1 ASN 20 0.271 12.492 -2.823 155 HD21 ASN 20 HD21 ASN 20 1.978 14.595 -0.715 156 HD22 ASN 20 HD22 ASN 20 1.680 16.051 -1.595 157 H LEU 21 HN LEU 21 -0.062 10.292 -0.530 158 HA LEU 21 HA LEU 21 -2.039 9.045 -2.092 159 HB2 LEU 21 HB2 LEU 21 -0.312 8.147 0.188 160 HB3 LEU 21 HB1 LEU 21 -1.498 7.079 -0.522 161 HG LEU 21 HG LEU 21 0.656 8.410 -2.143 162 HD11 LEU 21 HD11 LEU 21 0.691 5.659 -0.910 163 HD12 LEU 21 HD12 LEU 21 1.686 7.024 -0.403 164 HD13 LEU 21 HD13 LEU 21 1.894 6.330 -2.011 165 HD21 LEU 21 HD21 LEU 21 -1.042 5.973 -2.633 166 HD22 LEU 21 HD22 LEU 21 0.102 6.707 -3.758 167 HD23 LEU 21 HD23 LEU 21 -1.363 7.576 -3.293 168 H GLN 22 HN GLN 22 -1.852 9.834 1.336 169 HA GLN 22 HA GLN 22 -4.207 8.687 2.216 170 HB2 GLN 22 HB2 GLN 22 -2.403 9.770 3.600 171 HB3 GLN 22 HB1 GLN 22 -3.098 11.325 3.169 172 HG2 GLN 22 HG2 GLN 22 -5.236 10.580 4.192 173 HG3 GLN 22 HG1 GLN 22 -4.401 9.128 4.730 174 HE21 GLN 22 HE21 GLN 22 -4.744 9.600 6.892 175 HE22 GLN 22 HE22 GLN 22 -3.868 10.848 7.706 176 H TYR 23 HN TYR 23 -3.718 12.034 1.033 177 HA TYR 23 HA TYR 23 -6.421 12.781 1.124 178 HB2 TYR 23 HB2 TYR 23 -4.063 13.777 -0.437 179 HB3 TYR 23 HB1 TYR 23 -5.669 14.412 -0.760 180 HD1 TYR 23 HD2 TYR 23 -6.979 15.167 1.449 181 HD2 TYR 23 HD1 TYR 23 -2.750 14.903 1.082 182 HE1 TYR 23 HE2 TYR 23 -6.722 16.736 3.323 183 HE2 TYR 23 HE1 TYR 23 -2.482 16.469 2.961 184 HH TYR 23 HH TYR 23 -3.800 18.254 4.081 185 H ALA 24 HN ALA 24 -4.577 11.031 -1.292 186 HA ALA 24 HA ALA 24 -6.431 11.296 -3.413 187 HB1 ALA 24 HB1 ALA 24 -4.107 10.643 -3.786 188 HB2 ALA 24 HB2 ALA 24 -5.219 9.449 -4.454 189 HB3 ALA 24 HB3 ALA 24 -4.390 9.126 -2.932 190 H PHE 25 HN PHE 25 -5.911 8.750 -0.993 191 HA PHE 25 HA PHE 25 -8.042 7.114 -1.900 192 HB2 PHE 25 HB2 PHE 25 -6.443 7.226 0.638 193 HB3 PHE 25 HB1 PHE 25 -7.799 6.120 0.469 194 HD1 PHE 25 HD2 PHE 25 -7.742 4.360 -1.256 195 HD2 PHE 25 HD1 PHE 25 -4.358 6.794 -0.412 196 HE1 PHE 25 HE2 PHE 25 -6.296 2.730 -2.386 197 HE2 PHE 25 HE1 PHE 25 -2.903 5.165 -1.552 198 HZ PHE 25 HZ PHE 25 -3.871 3.134 -2.535 199 H GLU 26 HN GLU 26 -7.787 9.559 0.660 200 HA GLU 26 HA GLU 26 -10.388 9.251 1.680 201 HB2 GLU 26 HB2 GLU 26 -8.629 11.704 1.587 202 HB3 GLU 26 HB1 GLU 26 -10.111 11.580 2.524 203 HG2 GLU 26 HG2 GLU 26 -9.067 9.631 3.712 204 HG3 GLU 26 HG1 GLU 26 -7.558 10.043 2.898 205 H ASP 27 HN ASP 27 -9.124 11.086 -1.030 206 HA ASP 27 HA ASP 27 -11.478 12.537 -1.624 207 HB2 ASP 27 HB2 ASP 27 -9.121 12.977 -2.477 208 HB3 ASP 27 HB1 ASP 27 -9.414 11.686 -3.632 209 H GLU 28 HN GLU 28 -10.351 9.330 -2.458 210 HA GLU 28 HA GLU 28 -12.439 8.859 -4.386 211 HB2 GLU 28 HB2 GLU 28 -10.522 6.960 -3.019 212 HB3 GLU 28 HB1 GLU 28 -11.651 6.490 -4.279 213 HG2 GLU 28 HG2 GLU 28 -9.336 8.392 -4.539 214 HG3 GLU 28 HG1 GLU 28 -9.467 6.775 -5.226 215 H GLY 29 HN GLY 29 -12.302 8.985 -1.049 216 HA2 GLY 29 HA2 GLY 29 -14.236 8.816 0.304 217 HA3 GLY 29 HA1 GLY 29 -14.921 7.688 -0.855 218 H ALA 30 HN ALA 30 -11.832 7.748 0.919 219 HA ALA 30 HA ALA 30 -12.627 5.268 2.270 220 HB1 ALA 30 HB1 ALA 30 -10.457 4.243 1.752 221 HB2 ALA 30 HB2 ALA 30 -10.031 5.642 0.764 222 HB3 ALA 30 HB3 ALA 30 -11.369 4.595 0.284 223 H GLU 31 HN GLU 31 -11.053 4.713 4.052 224 HA GLU 31 HA GLU 31 -10.021 7.193 5.268 225 HB2 GLU 31 HB2 GLU 31 -11.934 6.101 6.462 226 HB3 GLU 31 HB1 GLU 31 -10.912 4.689 6.706 227 HG2 GLU 31 HG2 GLU 31 -9.367 5.979 8.024 228 HG3 GLU 31 HG1 GLU 31 -10.276 7.454 7.703 229 H VAL 32 HN VAL 32 -7.930 7.196 6.056 230 HA VAL 32 HA VAL 32 -6.336 4.919 5.065 231 HB VAL 32 HB VAL 32 -5.485 7.800 5.123 232 HG11 VAL 32 HG11 VAL 32 -4.353 5.452 3.614 233 HG12 VAL 32 HG12 VAL 32 -3.675 6.140 5.088 234 HG13 VAL 32 HG13 VAL 32 -3.729 7.104 3.610 235 HG21 VAL 32 HG21 VAL 32 -5.947 7.922 2.746 236 HG22 VAL 32 HG22 VAL 32 -7.421 7.547 3.643 237 HG23 VAL 32 HG23 VAL 32 -6.573 6.271 2.767 238 H VAL 33 HN VAL 33 -4.764 4.105 6.317 239 HA VAL 33 HA VAL 33 -3.938 5.585 8.732 240 HB VAL 33 HB VAL 33 -3.407 2.673 8.239 241 HG11 VAL 33 HG11 VAL 33 -3.157 2.645 10.706 242 HG12 VAL 33 HG12 VAL 33 -3.375 4.393 10.703 243 HG13 VAL 33 HG13 VAL 33 -1.990 3.676 9.880 244 HG21 VAL 33 HG21 VAL 33 -5.818 2.917 8.213 245 HG22 VAL 33 HG22 VAL 33 -5.760 3.829 9.723 246 HG23 VAL 33 HG23 VAL 33 -5.295 2.126 9.700 247 H VAL 34 HN VAL 34 -1.811 6.220 8.828 248 HA VAL 34 HA VAL 34 -0.197 5.524 6.475 249 HB VAL 34 HB VAL 34 0.059 7.916 8.303 250 HG11 VAL 34 HG11 VAL 34 1.580 7.130 5.823 251 HG12 VAL 34 HG12 VAL 34 2.220 7.283 7.458 252 HG13 VAL 34 HG13 VAL 34 1.667 8.716 6.590 253 HG21 VAL 34 HG21 VAL 34 -0.945 7.690 5.464 254 HG22 VAL 34 HG22 VAL 34 -0.702 9.198 6.345 255 HG23 VAL 34 HG23 VAL 34 -1.920 8.045 6.890 256 H ALA 35 HN ALA 35 1.429 4.203 6.739 257 HA ALA 35 HA ALA 35 2.874 4.189 9.310 258 HB1 ALA 35 HB1 ALA 35 3.048 1.877 9.338 259 HB2 ALA 35 HB2 ALA 35 2.661 1.724 7.622 260 HB3 ALA 35 HB3 ALA 35 1.388 2.130 8.784 261 H ALA 36 HN ALA 36 5.056 4.108 9.198 262 HA ALA 36 HA ALA 36 6.255 4.345 6.524 263 HB1 ALA 36 HB1 ALA 36 7.302 5.252 9.204 264 HB2 ALA 36 HB2 ALA 36 6.541 6.282 7.987 265 HB3 ALA 36 HB3 ALA 36 8.089 5.508 7.640 266 H THR 37 HN THR 37 5.940 2.273 9.173 267 HA THR 37 HA THR 37 8.308 0.754 8.297 268 HB THR 37 HB THR 37 8.681 -0.046 10.529 269 HG1 THR 37 HG1 THR 37 7.269 1.121 12.213 270 HG21 THR 37 HG21 THR 37 9.240 2.024 11.716 271 HG22 THR 37 HG22 THR 37 8.256 2.937 10.573 272 HG23 THR 37 HG23 THR 37 9.706 2.100 10.018 273 H CYS 38 HN CYS 38 8.099 -1.612 9.109 274 HA CYS 38 HA CYS 38 5.654 -2.670 8.065 275 HB2 CYS 38 HB2 CYS 38 7.952 -4.058 9.456 276 HB3 CYS 38 HB1 CYS 38 6.642 -4.868 8.604 277 HG CYS 38 HG CYS 38 9.015 -2.840 7.190 278 H GLU 39 HN GLU 39 7.065 -2.196 11.231 279 HA GLU 39 HA GLU 39 5.218 -3.742 12.697 280 HB2 GLU 39 HB2 GLU 39 6.937 -1.422 13.539 281 HB3 GLU 39 HB1 GLU 39 6.042 -2.441 14.649 282 HG2 GLU 39 HG2 GLU 39 7.328 -4.372 13.943 283 HG3 GLU 39 HG1 GLU 39 8.206 -3.372 12.789 284 H GLN 40 HN GLN 40 5.297 -0.288 11.834 285 HA GLN 40 HA GLN 40 3.050 0.521 13.278 286 HB2 GLN 40 HB2 GLN 40 4.248 1.504 10.707 287 HB3 GLN 40 HB1 GLN 40 2.898 2.305 11.473 288 HG2 GLN 40 HG2 GLN 40 4.329 2.567 13.498 289 HG3 GLN 40 HG1 GLN 40 5.667 1.959 12.531 290 HE21 GLN 40 HE21 GLN 40 5.310 4.558 13.803 291 HE22 GLN 40 HE22 GLN 40 5.453 5.725 12.538 292 H ALA 41 HN ALA 41 3.346 -0.989 10.128 293 HA ALA 41 HA ALA 41 0.611 -0.692 9.408 294 HB1 ALA 41 HB1 ALA 41 2.278 -1.016 7.717 295 HB2 ALA 41 HB2 ALA 41 1.129 -2.351 7.665 296 HB3 ALA 41 HB3 ALA 41 2.720 -2.582 8.395 297 H LEU 42 HN LEU 42 2.519 -3.412 10.666 298 HA LEU 42 HA LEU 42 0.480 -5.298 10.883 299 HB2 LEU 42 HB2 LEU 42 3.134 -4.865 12.079 300 HB3 LEU 42 HB1 LEU 42 2.053 -5.833 13.057 301 HG LEU 42 HG LEU 42 1.914 -7.535 11.420 302 HD11 LEU 42 HD11 LEU 42 3.394 -5.759 9.484 303 HD12 LEU 42 HD12 LEU 42 1.657 -6.060 9.448 304 HD13 LEU 42 HD13 LEU 42 2.783 -7.390 9.182 305 HD21 LEU 42 HD21 LEU 42 4.294 -8.082 10.998 306 HD22 LEU 42 HD22 LEU 42 3.961 -7.608 12.665 307 HD23 LEU 42 HD23 LEU 42 4.726 -6.464 11.558 308 H LYS 43 HN LYS 43 1.424 -2.700 13.081 309 HA LYS 43 HA LYS 43 -0.324 -3.312 15.201 310 HB2 LYS 43 HB2 LYS 43 1.484 -1.686 15.409 311 HB3 LYS 43 HB1 LYS 43 0.709 -0.641 14.232 312 HG2 LYS 43 HG2 LYS 43 -1.143 -0.260 15.740 313 HG3 LYS 43 HG1 LYS 43 -0.442 -1.373 16.915 314 HD2 LYS 43 HD2 LYS 43 1.405 0.066 17.307 315 HD3 LYS 43 HD1 LYS 43 0.991 1.080 15.924 316 HE2 LYS 43 HE2 LYS 43 -0.706 0.746 18.393 317 HE3 LYS 43 HE1 LYS 43 0.380 2.101 18.093 318 HZ1 LYS 43 HZ1 LYS 43 -1.858 2.697 17.497 319 HZ2 LYS 43 HZ2 LYS 43 -1.995 1.361 16.470 320 HZ3 LYS 43 HZ3 LYS 43 -0.922 2.607 16.093 321 H SER 44 HN SER 44 -0.706 -1.029 12.508 322 HA SER 44 HA SER 44 -3.346 -0.310 13.070 323 HB2 SER 44 HB2 SER 44 -1.925 -0.284 10.406 324 HB3 SER 44 HB1 SER 44 -3.296 0.697 10.888 325 HG SER 44 HG SER 44 -0.614 0.912 11.633 326 H LEU 45 HN LEU 45 -1.995 -2.975 11.265 327 HA LEU 45 HA LEU 45 -4.358 -3.861 10.002 328 HB2 LEU 45 HB2 LEU 45 -1.676 -4.917 10.609 329 HB3 LEU 45 HB1 LEU 45 -2.908 -6.105 10.275 330 HG LEU 45 HG LEU 45 -2.335 -3.817 8.406 331 HD11 LEU 45 HD11 LEU 45 -0.979 -5.379 7.099 332 HD12 LEU 45 HD12 LEU 45 -1.146 -6.586 8.373 333 HD13 LEU 45 HD13 LEU 45 -0.276 -5.085 8.690 334 HD21 LEU 45 HD21 LEU 45 -3.435 -5.241 6.777 335 HD22 LEU 45 HD22 LEU 45 -4.489 -4.975 8.165 336 HD23 LEU 45 HD23 LEU 45 -3.632 -6.507 7.989 337 H ALA 46 HN ALA 46 -3.005 -4.266 13.189 338 HA ALA 46 HA ALA 46 -4.860 -6.356 13.944 339 HB1 ALA 46 HB1 ALA 46 -2.582 -6.357 14.825 340 HB2 ALA 46 HB2 ALA 46 -3.766 -6.219 16.124 341 HB3 ALA 46 HB3 ALA 46 -2.877 -4.795 15.586 342 H ASP 47 HN ASP 47 -4.547 -2.922 14.192 343 HA ASP 47 HA ASP 47 -6.599 -2.663 16.214 344 HB2 ASP 47 HB2 ASP 47 -4.623 -1.178 16.175 345 HB3 ASP 47 HB1 ASP 47 -5.165 -0.541 14.631 346 H ASN 48 HN ASN 48 -6.437 -2.729 12.786 347 HA ASN 48 HA ASN 48 -9.221 -1.803 12.619 348 HB2 ASN 48 HB2 ASN 48 -7.035 -0.915 10.734 349 HB3 ASN 48 HB1 ASN 48 -8.724 -0.465 10.644 350 HD21 ASN 48 HD21 ASN 48 -5.719 0.040 12.190 351 HD22 ASN 48 HD22 ASN 48 -6.163 1.441 13.103 352 HA PRO 49 HA PRO 49 -9.380 -5.025 9.497 353 HB2 PRO 49 HB2 PRO 49 -11.796 -4.384 8.436 354 HB3 PRO 49 HB1 PRO 49 -11.607 -5.128 10.022 355 HG2 PRO 49 HG2 PRO 49 -12.501 -2.447 9.370 356 HG3 PRO 49 HG1 PRO 49 -12.500 -3.260 10.941 357 HD2 PRO 49 HD2 PRO 49 -10.583 -1.340 9.827 358 HD3 PRO 49 HD1 PRO 49 -10.814 -1.838 11.513 359 H ILE 50 HN ILE 50 -7.665 -4.279 8.163 360 HA ILE 50 HA ILE 50 -7.885 -2.128 6.356 361 HB ILE 50 HB ILE 50 -5.963 -4.446 6.487 362 HG12 ILE 50 HG12 ILE 50 -5.876 -2.933 8.391 363 HG13 ILE 50 HG11 ILE 50 -4.433 -2.757 7.406 364 HG21 ILE 50 HG21 ILE 50 -4.527 -3.224 4.987 365 HG22 ILE 50 HG22 ILE 50 -5.733 -1.948 4.836 366 HG23 ILE 50 HG23 ILE 50 -6.074 -3.560 4.210 367 HD11 ILE 50 HD11 ILE 50 -6.783 -0.889 7.576 368 HD12 ILE 50 HD12 ILE 50 -5.519 -0.760 6.352 369 HD13 ILE 50 HD13 ILE 50 -5.113 -0.584 8.061 370 H ASP 51 HN ASP 51 -8.843 -1.997 4.473 371 HA ASP 51 HA ASP 51 -9.943 -4.373 3.202 372 HB2 ASP 51 HB2 ASP 51 -10.269 -1.418 2.683 373 HB3 ASP 51 HB1 ASP 51 -10.940 -2.645 1.619 374 H VAL 52 HN VAL 52 -7.512 -1.923 2.699 375 HA VAL 52 HA VAL 52 -6.274 -3.428 0.589 376 HB VAL 52 HB VAL 52 -8.048 -2.239 -0.660 377 HG11 VAL 52 HG11 VAL 52 -6.723 0.210 0.467 378 HG12 VAL 52 HG12 VAL 52 -8.403 -0.298 0.656 379 HG13 VAL 52 HG13 VAL 52 -7.811 0.240 -0.916 380 HG21 VAL 52 HG21 VAL 52 -5.942 -2.741 -1.776 381 HG22 VAL 52 HG22 VAL 52 -5.280 -1.200 -1.228 382 HG23 VAL 52 HG23 VAL 52 -6.629 -1.225 -2.365 383 H ALA 53 HN ALA 53 -4.191 -2.473 -0.023 384 HA ALA 53 HA ALA 53 -3.271 -0.352 1.768 385 HB1 ALA 53 HB1 ALA 53 -2.834 -2.555 2.833 386 HB2 ALA 53 HB2 ALA 53 -1.384 -1.599 2.524 387 HB3 ALA 53 HB3 ALA 53 -1.790 -2.952 1.466 388 H VAL 54 HN VAL 54 -1.142 0.465 1.208 389 HA VAL 54 HA VAL 54 -0.243 -0.099 -1.529 390 HB VAL 54 HB VAL 54 0.253 2.630 -1.145 391 HG11 VAL 54 HG11 VAL 54 -0.142 1.721 -3.280 392 HG12 VAL 54 HG12 VAL 54 -1.468 2.853 -2.972 393 HG13 VAL 54 HG13 VAL 54 -1.736 1.115 -2.806 394 HG21 VAL 54 HG21 VAL 54 -1.913 3.620 -0.725 395 HG22 VAL 54 HG22 VAL 54 -1.432 2.627 0.651 396 HG23 VAL 54 HG23 VAL 54 -2.628 2.025 -0.495 397 H LEU 55 HN LEU 55 1.797 -0.758 -1.325 398 HA LEU 55 HA LEU 55 3.277 0.119 1.066 399 HB2 LEU 55 HB2 LEU 55 3.127 -2.505 -0.376 400 HB3 LEU 55 HB1 LEU 55 4.513 -2.121 0.617 401 HG LEU 55 HG LEU 55 3.088 -1.974 2.597 402 HD11 LEU 55 HD11 LEU 55 0.741 -2.690 2.481 403 HD12 LEU 55 HD12 LEU 55 0.845 -2.676 0.719 404 HD13 LEU 55 HD13 LEU 55 1.031 -1.173 1.625 405 HD21 LEU 55 HD21 LEU 55 2.810 -4.457 0.929 406 HD22 LEU 55 HD22 LEU 55 2.329 -4.366 2.625 407 HD23 LEU 55 HD23 LEU 55 4.015 -4.107 2.170 408 H ASP 56 HN ASP 56 5.001 1.394 0.631 409 HA ASP 56 HA ASP 56 6.316 1.201 -1.942 410 HB2 ASP 56 HB2 ASP 56 6.154 3.408 -0.833 411 HB3 ASP 56 HB1 ASP 56 7.146 2.802 0.491 412 H VAL 57 HN VAL 57 7.661 -0.322 -2.357 413 HA VAL 57 HA VAL 57 8.876 -2.022 -0.463 414 HB VAL 57 HB VAL 57 9.532 -1.531 -3.378 415 HG11 VAL 57 HG11 VAL 57 11.412 -2.592 -2.392 416 HG12 VAL 57 HG12 VAL 57 10.519 -3.813 -3.297 417 HG13 VAL 57 HG13 VAL 57 10.390 -3.745 -1.540 418 HG21 VAL 57 HG21 VAL 57 8.200 -3.554 -3.778 419 HG22 VAL 57 HG22 VAL 57 7.256 -2.244 -3.066 420 HG23 VAL 57 HG23 VAL 57 7.783 -3.596 -2.063 421 H ASN 58 HN ASN 58 9.703 1.033 -1.781 422 HA ASN 58 HA ASN 58 12.518 0.757 -0.973 423 HB2 ASN 58 HB2 ASN 58 12.069 1.464 -3.310 424 HB3 ASN 58 HB1 ASN 58 11.213 2.872 -2.701 425 HD21 ASN 58 HD21 ASN 58 14.177 1.540 -1.354 426 HD22 ASN 58 HD22 ASN 58 15.170 2.893 -1.752 427 H LEU 59 HN LEU 59 11.048 0.920 1.202 428 HA LEU 59 HA LEU 59 10.476 3.497 2.189 429 HB2 LEU 59 HB2 LEU 59 11.495 1.103 3.735 430 HB3 LEU 59 HB1 LEU 59 10.695 2.503 4.420 431 HG LEU 59 HG LEU 59 9.428 0.490 2.559 432 HD11 LEU 59 HD11 LEU 59 8.139 -0.187 4.509 433 HD12 LEU 59 HD12 LEU 59 9.021 0.970 5.508 434 HD13 LEU 59 HD13 LEU 59 9.867 -0.403 4.793 435 HD21 LEU 59 HD21 LEU 59 7.348 1.659 3.044 436 HD22 LEU 59 HD22 LEU 59 8.511 2.731 2.267 437 HD23 LEU 59 HD23 LEU 59 8.228 2.848 4.003 438 H GLY 60 HN GLY 60 13.370 1.556 2.064 439 HA2 GLY 60 HA2 GLY 60 15.021 3.903 1.955 440 HA3 GLY 60 HA1 GLY 60 15.257 2.953 3.420 441 HA PRO 61 HA PRO 61 18.075 1.267 0.021 442 HB2 PRO 61 HB2 PRO 61 19.668 1.125 2.518 443 HB3 PRO 61 HB1 PRO 61 20.208 1.489 0.880 444 HG2 PRO 61 HG2 PRO 61 19.958 3.440 2.625 445 HG3 PRO 61 HG1 PRO 61 19.336 3.664 0.976 446 HD2 PRO 61 HD2 PRO 61 17.843 3.042 3.493 447 HD3 PRO 61 HD1 PRO 61 17.426 4.147 2.179 448 H LYS 62 HN LYS 62 17.695 0.265 3.425 449 HA LYS 62 HA LYS 62 17.492 -2.520 2.492 450 HB2 LYS 62 HB2 LYS 62 18.099 -1.456 5.255 451 HB3 LYS 62 HB1 LYS 62 17.962 -3.157 4.837 452 HG2 LYS 62 HG2 LYS 62 19.865 -2.894 3.288 453 HG3 LYS 62 HG1 LYS 62 20.027 -1.218 3.817 454 HD2 LYS 62 HD2 LYS 62 20.407 -1.982 6.111 455 HD3 LYS 62 HD1 LYS 62 20.246 -3.657 5.580 456 HE2 LYS 62 HE2 LYS 62 22.351 -1.701 4.668 457 HE3 LYS 62 HE1 LYS 62 22.591 -3.017 5.816 458 HZ1 LYS 62 HZ1 LYS 62 23.357 -3.668 3.646 459 HZ2 LYS 62 HZ2 LYS 62 21.863 -3.295 2.950 460 HZ3 LYS 62 HZ3 LYS 62 21.990 -4.579 4.041 461 H SER 63 HN SER 63 15.893 -0.011 4.365 462 HA SER 63 HA SER 63 13.868 -1.583 5.490 463 HB2 SER 63 HB2 SER 63 13.800 1.343 4.731 464 HB3 SER 63 HB1 SER 63 12.675 0.532 5.820 465 HG SER 63 HG SER 63 14.714 -0.076 6.997 466 H HIS 64 HN HIS 64 12.165 -2.525 4.660 467 HA HIS 64 HA HIS 64 11.032 -1.594 2.139 468 HB2 HIS 64 HB2 HIS 64 11.191 -3.816 1.104 469 HB3 HIS 64 HB1 HIS 64 12.790 -3.197 1.482 470 HD1 HIS 64 HD1 HIS 64 10.235 -5.543 3.077 471 HD2 HIS 64 HD2 HIS 64 14.338 -5.002 2.768 472 HE1 HIS 64 HE1 HIS 64 11.257 -7.483 4.290 473 HE2 HIS 64 HE2 HIS 64 13.748 -7.105 4.147 474 H CYS 65 HN CYS 65 8.904 -2.298 1.789 475 HA CYS 65 HA CYS 65 7.400 -3.115 4.066 476 HB2 CYS 65 HB2 CYS 65 5.515 -3.028 2.523 477 HB3 CYS 65 HB1 CYS 65 6.556 -1.628 2.279 478 HG CYS 65 HG CYS 65 6.962 -4.359 0.337 479 H GLY 66 HN GLY 66 8.333 -5.138 4.696 480 HA2 GLY 66 HA2 GLY 66 7.987 -7.327 2.748 481 HA3 GLY 66 HA1 GLY 66 9.076 -7.369 4.124 482 HA PRO 67 HA PRO 67 6.145 -9.391 6.759 483 HB2 PRO 67 HB2 PRO 67 6.089 -7.029 8.536 484 HB3 PRO 67 HB1 PRO 67 6.457 -8.710 8.911 485 HG2 PRO 67 HG2 PRO 67 8.358 -6.806 8.757 486 HG3 PRO 67 HG1 PRO 67 8.655 -8.504 8.350 487 HD2 PRO 67 HD2 PRO 67 8.410 -6.155 6.579 488 HD3 PRO 67 HD1 PRO 67 9.249 -7.692 6.320 489 H VAL 68 HN VAL 68 5.569 -6.068 5.844 490 HA VAL 68 HA VAL 68 2.829 -5.935 6.585 491 HB VAL 68 HB VAL 68 4.141 -4.386 4.350 492 HG11 VAL 68 HG11 VAL 68 2.508 -2.694 4.863 493 HG12 VAL 68 HG12 VAL 68 1.883 -3.655 6.205 494 HG13 VAL 68 HG13 VAL 68 1.691 -4.227 4.547 495 HG21 VAL 68 HG21 VAL 68 4.744 -2.704 6.008 496 HG22 VAL 68 HG22 VAL 68 5.539 -4.241 6.345 497 HG23 VAL 68 HG23 VAL 68 4.138 -3.747 7.295 498 H ALA 69 HN ALA 69 4.535 -6.710 3.608 499 HA ALA 69 HA ALA 69 2.304 -7.016 1.926 500 HB1 ALA 69 HB1 ALA 69 5.008 -8.340 1.787 501 HB2 ALA 69 HB2 ALA 69 4.590 -6.769 1.099 502 HB3 ALA 69 HB3 ALA 69 3.840 -8.238 0.470 503 H ASP 70 HN ASP 70 4.208 -9.336 3.787 504 HA ASP 70 HA ASP 70 2.724 -11.630 3.100 505 HB2 ASP 70 HB2 ASP 70 4.990 -11.670 4.131 506 HB3 ASP 70 HB1 ASP 70 4.292 -11.086 5.639 507 H ALA 71 HN ALA 71 2.485 -9.359 5.813 508 HA ALA 71 HA ALA 71 0.467 -10.512 7.305 509 HB1 ALA 71 HB1 ALA 71 -0.019 -8.303 8.128 510 HB2 ALA 71 HB2 ALA 71 0.782 -7.573 6.734 511 HB3 ALA 71 HB3 ALA 71 1.724 -8.483 7.918 512 H LEU 72 HN LEU 72 0.213 -8.382 4.503 513 HA LEU 72 HA LEU 72 -2.620 -8.313 4.437 514 HB2 LEU 72 HB2 LEU 72 -0.537 -7.695 2.356 515 HB3 LEU 72 HB1 LEU 72 -2.249 -7.361 2.170 516 HG LEU 72 HG LEU 72 -0.514 -6.196 4.345 517 HD11 LEU 72 HD11 LEU 72 -1.496 -4.991 1.781 518 HD12 LEU 72 HD12 LEU 72 0.176 -5.382 2.202 519 HD13 LEU 72 HD13 LEU 72 -0.688 -4.125 3.092 520 HD21 LEU 72 HD21 LEU 72 -2.818 -6.354 5.017 521 HD22 LEU 72 HD22 LEU 72 -3.356 -5.687 3.478 522 HD23 LEU 72 HD23 LEU 72 -2.461 -4.673 4.614 523 H LYS 73 HN LYS 73 -0.163 -10.169 2.715 524 HA LYS 73 HA LYS 73 -1.835 -11.589 1.006 525 HB2 LYS 73 HB2 LYS 73 0.875 -12.017 2.171 526 HB3 LYS 73 HB1 LYS 73 0.144 -13.273 1.210 527 HG2 LYS 73 HG2 LYS 73 0.708 -10.457 0.333 528 HG3 LYS 73 HG1 LYS 73 1.583 -11.902 -0.149 529 HD2 LYS 73 HD2 LYS 73 -0.423 -12.765 -1.248 530 HD3 LYS 73 HD1 LYS 73 -1.313 -11.323 -0.758 531 HE2 LYS 73 HE2 LYS 73 0.221 -9.937 -2.062 532 HE3 LYS 73 HE1 LYS 73 1.106 -11.380 -2.555 533 HZ1 LYS 73 HZ1 LYS 73 -0.962 -12.178 -3.602 534 HZ2 LYS 73 HZ2 LYS 73 -0.395 -10.742 -4.286 535 HZ3 LYS 73 HZ3 LYS 73 -1.708 -10.708 -3.221 536 H GLN 74 HN GLN 74 -0.826 -12.210 4.329 537 HA GLN 74 HA GLN 74 -1.953 -14.763 4.633 538 HB2 GLN 74 HB2 GLN 74 -1.389 -12.533 6.580 539 HB3 GLN 74 HB1 GLN 74 -2.019 -14.093 7.094 540 HG2 GLN 74 HG2 GLN 74 0.463 -13.911 5.442 541 HG3 GLN 74 HG1 GLN 74 0.513 -13.671 7.184 542 HE21 GLN 74 HE21 GLN 74 1.767 -15.517 7.484 543 HE22 GLN 74 HE22 GLN 74 1.104 -17.110 7.344 544 H ARG 75 HN ARG 75 -3.358 -11.548 4.974 545 HA ARG 75 HA ARG 75 -5.898 -12.716 5.828 546 HB2 ARG 75 HB2 ARG 75 -5.079 -9.817 5.625 547 HB3 ARG 75 HB1 ARG 75 -6.534 -10.442 6.392 548 HG2 ARG 75 HG2 ARG 75 -5.208 -11.564 8.071 549 HG3 ARG 75 HG1 ARG 75 -3.722 -11.043 7.276 550 HD2 ARG 75 HD2 ARG 75 -4.283 -8.722 7.704 551 HD3 ARG 75 HD1 ARG 75 -5.808 -9.209 8.441 552 HE ARG 75 HE ARG 75 -3.418 -10.324 9.647 553 HH11 ARG 75 HH11 ARG 75 -5.828 -7.801 9.678 554 HH12 ARG 75 HH12 ARG 75 -5.540 -7.353 11.329 555 HH21 ARG 75 HH21 ARG 75 -3.038 -9.771 11.839 556 HH22 ARG 75 HH22 ARG 75 -3.956 -8.494 12.569 557 H ALA 76 HN ALA 76 -4.537 -12.418 3.014 558 HA ALA 76 HA ALA 76 -5.202 -12.261 0.858 559 HB1 ALA 76 HB1 ALA 76 -7.981 -12.582 1.981 560 HB2 ALA 76 HB2 ALA 76 -6.856 -13.904 1.670 561 HB3 ALA 76 HB3 ALA 76 -7.456 -12.926 0.332 562 H ILE 77 HN ILE 77 -4.912 -9.787 2.320 563 HA ILE 77 HA ILE 77 -7.024 -8.054 1.337 564 HB ILE 77 HB ILE 77 -4.466 -7.402 2.816 565 HG12 ILE 77 HG12 ILE 77 -7.280 -7.445 3.907 566 HG13 ILE 77 HG11 ILE 77 -6.206 -8.835 4.005 567 HG21 ILE 77 HG21 ILE 77 -6.879 -5.712 2.180 568 HG22 ILE 77 HG22 ILE 77 -5.243 -5.497 1.558 569 HG23 ILE 77 HG23 ILE 77 -5.574 -5.240 3.272 570 HD11 ILE 77 HD11 ILE 77 -4.635 -7.560 5.327 571 HD12 ILE 77 HD12 ILE 77 -6.236 -7.532 6.070 572 HD13 ILE 77 HD13 ILE 77 -5.649 -6.124 5.184 573 HA PRO 78 HA PRO 78 -4.743 -7.194 -2.391 574 HB2 PRO 78 HB2 PRO 78 -6.328 -5.122 -3.223 575 HB3 PRO 78 HB1 PRO 78 -6.655 -6.827 -3.522 576 HG2 PRO 78 HG2 PRO 78 -7.950 -4.966 -1.672 577 HG3 PRO 78 HG1 PRO 78 -8.546 -6.496 -2.326 578 HD2 PRO 78 HD2 PRO 78 -7.539 -6.017 0.266 579 HD3 PRO 78 HD1 PRO 78 -7.947 -7.582 -0.445 580 H PHE 79 HN PHE 79 -3.134 -5.851 -2.902 581 HA PHE 79 HA PHE 79 -3.042 -3.150 -1.932 582 HB2 PHE 79 HB2 PHE 79 -0.943 -3.370 -0.694 583 HB3 PHE 79 HB1 PHE 79 -2.247 -4.265 0.055 584 HD1 PHE 79 HD2 PHE 79 -2.340 -6.785 -0.373 585 HD2 PHE 79 HD1 PHE 79 1.060 -4.373 -1.184 586 HE1 PHE 79 HE2 PHE 79 -0.918 -8.792 -0.333 587 HE2 PHE 79 HE1 PHE 79 2.493 -6.371 -1.145 588 HZ PHE 79 HZ PHE 79 1.504 -8.587 -0.717 589 H ILE 80 HN ILE 80 -1.138 -2.030 -2.669 590 HA ILE 80 HA ILE 80 0.002 -3.269 -5.091 591 HB ILE 80 HB ILE 80 -0.781 -0.369 -4.749 592 HG12 ILE 80 HG12 ILE 80 -2.019 -2.580 -6.395 593 HG13 ILE 80 HG11 ILE 80 -2.755 -1.737 -5.034 594 HG21 ILE 80 HG21 ILE 80 1.190 -0.633 -6.151 595 HG22 ILE 80 HG22 ILE 80 -0.203 -0.137 -7.111 596 HG23 ILE 80 HG23 ILE 80 0.341 -1.817 -7.147 597 HD11 ILE 80 HD11 ILE 80 -3.643 -0.954 -7.145 598 HD12 ILE 80 HD12 ILE 80 -2.020 -0.512 -7.678 599 HD13 ILE 80 HD13 ILE 80 -2.761 0.330 -6.317 600 H LEU 81 HN LEU 81 2.169 -2.970 -5.397 601 HA LEU 81 HA LEU 81 3.620 -1.680 -3.229 602 HB2 LEU 81 HB2 LEU 81 4.633 -3.159 -5.661 603 HB3 LEU 81 HB1 LEU 81 5.648 -2.510 -4.391 604 HG LEU 81 HG LEU 81 5.527 -4.766 -3.875 605 HD11 LEU 81 HD11 LEU 81 4.177 -4.956 -1.849 606 HD12 LEU 81 HD12 LEU 81 3.289 -3.501 -2.303 607 HD13 LEU 81 HD13 LEU 81 5.009 -3.401 -1.929 608 HD21 LEU 81 HD21 LEU 81 3.519 -6.120 -3.963 609 HD22 LEU 81 HD22 LEU 81 3.807 -5.345 -5.521 610 HD23 LEU 81 HD23 LEU 81 2.567 -4.714 -4.436 611 H HIS 82 HN HIS 82 3.756 0.431 -3.360 612 HA HIS 82 HA HIS 82 4.022 1.650 -6.007 613 HB2 HIS 82 HB2 HIS 82 2.178 2.540 -4.730 614 HB3 HIS 82 HB1 HIS 82 3.205 2.835 -3.337 615 HD1 HIS 82 HD1 HIS 82 2.486 5.351 -3.396 616 HD2 HIS 82 HD2 HIS 82 4.520 4.059 -6.779 617 HE1 HIS 82 HE1 HIS 82 3.082 7.433 -4.673 618 HE2 HIS 82 HE2 HIS 82 4.527 6.634 -6.560 619 H THR 83 HN THR 83 6.120 1.097 -6.307 620 HA THR 83 HA THR 83 8.107 2.662 -4.822 621 HB THR 83 HB THR 83 8.174 0.411 -3.853 622 HG1 THR 83 HG1 THR 83 10.198 1.298 -4.057 623 HG21 THR 83 HG21 THR 83 7.110 -0.723 -5.778 624 HG22 THR 83 HG22 THR 83 8.555 -1.558 -5.195 625 HG23 THR 83 HG23 THR 83 8.632 -0.584 -6.663 626 H GLY 84 HN GLY 84 10.093 2.966 -6.087 627 HA2 GLY 84 HA2 GLY 84 9.592 2.640 -8.980 628 HA3 GLY 84 HA1 GLY 84 10.532 3.951 -8.279 629 H ASP 85 HN ASP 85 11.183 1.130 -6.635 630 HA ASP 85 HA ASP 85 13.419 0.442 -8.393 631 HB2 ASP 85 HB2 ASP 85 13.641 1.286 -5.510 632 HB3 ASP 85 HB1 ASP 85 14.895 0.354 -6.319 633 H LEU 86 HN LEU 86 11.688 -1.309 -8.623 634 HA LEU 86 HA LEU 86 11.394 -3.275 -6.624 635 HB2 LEU 86 HB2 LEU 86 11.319 -3.489 -9.631 636 HB3 LEU 86 HB1 LEU 86 10.976 -4.838 -8.568 637 HG LEU 86 HG LEU 86 9.395 -2.265 -8.648 638 HD11 LEU 86 HD11 LEU 86 7.665 -3.656 -9.716 639 HD12 LEU 86 HD12 LEU 86 8.814 -4.989 -9.798 640 HD13 LEU 86 HD13 LEU 86 9.115 -3.506 -10.704 641 HD21 LEU 86 HD21 LEU 86 7.785 -3.516 -7.287 642 HD22 LEU 86 HD22 LEU 86 9.334 -3.344 -6.466 643 HD23 LEU 86 HD23 LEU 86 8.903 -4.877 -7.222 644 H ASP 87 HN ASP 87 13.903 -2.633 -8.969 645 HA ASP 87 HA ASP 87 15.192 -5.136 -8.886 646 HB2 ASP 87 HB2 ASP 87 17.095 -4.021 -9.916 647 HB3 ASP 87 HB1 ASP 87 15.597 -3.499 -10.670 648 H ARG 88 HN ARG 88 15.336 -2.394 -6.770 649 HA ARG 88 HA ARG 88 17.819 -3.039 -5.523 650 HB2 ARG 88 HB2 ARG 88 16.214 -0.851 -5.552 651 HB3 ARG 88 HB1 ARG 88 15.848 -1.507 -3.965 652 HG2 ARG 88 HG2 ARG 88 18.622 -0.901 -4.964 653 HG3 ARG 88 HG1 ARG 88 17.654 0.176 -3.970 654 HD2 ARG 88 HD2 ARG 88 17.556 -1.605 -2.236 655 HD3 ARG 88 HD1 ARG 88 18.664 -2.557 -3.223 656 HE ARG 88 HE ARG 88 19.671 0.060 -2.663 657 HH11 ARG 88 HH11 ARG 88 19.343 -3.184 -1.384 658 HH12 ARG 88 HH12 ARG 88 20.670 -3.022 -0.283 659 HH21 ARG 88 HH21 ARG 88 21.424 0.283 -1.202 660 HH22 ARG 88 HH22 ARG 88 21.857 -1.053 -0.178 661 H HIS 89 HN HIS 89 14.600 -4.178 -5.205 662 HA HIS 89 HA HIS 89 15.425 -5.847 -2.945 663 HB2 HIS 89 HB2 HIS 89 12.908 -4.186 -3.082 664 HB3 HIS 89 HB1 HIS 89 13.079 -5.561 -1.998 665 HD1 HIS 89 HD1 HIS 89 14.820 -5.310 -0.046 666 HD2 HIS 89 HD2 HIS 89 14.146 -1.850 -2.252 667 HE1 HIS 89 HE1 HIS 89 15.696 -3.426 1.365 668 HE2 HIS 89 HE2 HIS 89 15.460 -1.372 -0.070 669 H GLY 90 HN GLY 90 15.490 -6.721 -5.480 670 HA2 GLY 90 HA2 GLY 90 13.086 -7.557 -6.672 671 HA3 GLY 90 HA1 GLY 90 14.677 -8.237 -6.997 672 H GLU 91 HN GLU 91 14.965 -9.029 -4.138 673 HA GLU 91 HA GLU 91 13.852 -11.634 -4.371 674 HB2 GLU 91 HB2 GLU 91 15.069 -10.278 -1.958 675 HB3 GLU 91 HB1 GLU 91 14.794 -12.006 -2.140 676 HG2 GLU 91 HG2 GLU 91 16.406 -12.156 -3.885 677 HG3 GLU 91 HG1 GLU 91 16.563 -10.403 -3.965 678 H LEU 92 HN LEU 92 12.724 -8.664 -3.052 679 HA LEU 92 HA LEU 92 10.972 -9.829 -1.105 680 HB2 LEU 92 HB2 LEU 92 11.998 -7.570 -0.891 681 HB3 LEU 92 HB1 LEU 92 10.958 -7.023 -2.193 682 HG LEU 92 HG LEU 92 8.987 -7.683 -0.778 683 HD11 LEU 92 HD11 LEU 92 9.356 -7.963 1.611 684 HD12 LEU 92 HD12 LEU 92 11.099 -7.911 1.359 685 HD13 LEU 92 HD13 LEU 92 10.149 -9.241 0.695 686 HD21 LEU 92 HD21 LEU 92 9.602 -5.379 -0.967 687 HD22 LEU 92 HD22 LEU 92 10.884 -5.573 0.228 688 HD23 LEU 92 HD23 LEU 92 9.194 -5.711 0.715 689 H LEU 93 HN LEU 93 10.409 -8.138 -4.226 690 HA LEU 93 HA LEU 93 7.630 -8.474 -4.096 691 HB2 LEU 93 HB2 LEU 93 7.639 -7.964 -6.545 692 HB3 LEU 93 HB1 LEU 93 8.293 -6.773 -5.485 693 HG LEU 93 HG LEU 93 9.437 -6.953 -7.656 694 HD11 LEU 93 HD11 LEU 93 10.460 -6.211 -5.436 695 HD12 LEU 93 HD12 LEU 93 11.482 -6.467 -6.847 696 HD13 LEU 93 HD13 LEU 93 11.404 -7.694 -5.582 697 HD21 LEU 93 HD21 LEU 93 10.866 -8.783 -8.175 698 HD22 LEU 93 HD22 LEU 93 9.230 -9.390 -7.896 699 HD23 LEU 93 HD23 LEU 93 10.466 -9.580 -6.653 700 H ARG 94 HN ARG 94 10.119 -10.530 -5.124 701 HA ARG 94 HA ARG 94 8.642 -12.459 -6.545 702 HB2 ARG 94 HB2 ARG 94 11.066 -12.770 -4.775 703 HB3 ARG 94 HB1 ARG 94 10.399 -14.075 -5.743 704 HG2 ARG 94 HG2 ARG 94 10.831 -12.802 -7.774 705 HG3 ARG 94 HG1 ARG 94 11.483 -11.476 -6.805 706 HD2 ARG 94 HD2 ARG 94 13.190 -13.010 -5.912 707 HD3 ARG 94 HD1 ARG 94 12.565 -14.284 -6.955 708 HE ARG 94 HE ARG 94 13.194 -12.082 -8.554 709 HH11 ARG 94 HH11 ARG 94 14.799 -14.433 -6.527 710 HH12 ARG 94 HH12 ARG 94 16.276 -14.406 -7.437 711 HH21 ARG 94 HH21 ARG 94 15.144 -12.033 -9.761 712 HH22 ARG 94 HH22 ARG 94 16.471 -13.043 -9.281 713 H LYS 95 HN LYS 95 9.045 -11.883 -3.111 714 HA LYS 95 HA LYS 95 7.604 -14.261 -2.341 715 HB2 LYS 95 HB2 LYS 95 8.446 -11.861 -0.707 716 HB3 LYS 95 HB1 LYS 95 7.790 -13.357 -0.056 717 HG2 LYS 95 HG2 LYS 95 9.725 -14.577 -0.922 718 HG3 LYS 95 HG1 LYS 95 10.382 -13.070 -1.560 719 HD2 LYS 95 HD2 LYS 95 10.470 -12.157 0.717 720 HD3 LYS 95 HD1 LYS 95 9.835 -13.680 1.344 721 HE2 LYS 95 HE2 LYS 95 12.250 -13.590 1.608 722 HE3 LYS 95 HE1 LYS 95 11.800 -14.853 0.463 723 HZ1 LYS 95 HZ1 LYS 95 12.762 -12.143 -0.268 724 HZ2 LYS 95 HZ2 LYS 95 12.377 -13.384 -1.351 725 HZ3 LYS 95 HZ3 LYS 95 13.695 -13.551 -0.305 726 H ILE 96 HN ILE 96 6.969 -10.886 -2.844 727 HA ILE 96 HA ILE 96 4.440 -10.827 -1.547 728 HB ILE 96 HB ILE 96 5.580 -8.909 -3.582 729 HG12 ILE 96 HG12 ILE 96 5.687 -8.816 -0.558 730 HG13 ILE 96 HG11 ILE 96 7.046 -9.204 -1.607 731 HG21 ILE 96 HG21 ILE 96 4.031 -7.307 -2.501 732 HG22 ILE 96 HG22 ILE 96 3.345 -8.648 -1.589 733 HG23 ILE 96 HG23 ILE 96 3.216 -8.620 -3.345 734 HD11 ILE 96 HD11 ILE 96 6.990 -6.979 -2.550 735 HD12 ILE 96 HD12 ILE 96 7.106 -6.894 -0.792 736 HD13 ILE 96 HD13 ILE 96 5.564 -6.586 -1.590 737 H ASP 97 HN ASP 97 5.325 -10.582 -5.005 738 HA ASP 97 HA ASP 97 4.114 -10.711 -6.887 739 HB2 ASP 97 HB2 ASP 97 2.934 -13.001 -5.338 740 HB3 ASP 97 HB1 ASP 97 2.566 -12.670 -7.018 741 H ALA 98 HN ALA 98 3.228 -8.647 -6.381 742 HA ALA 98 HA ALA 98 0.326 -8.717 -6.497 743 HB1 ALA 98 HB1 ALA 98 0.064 -6.972 -4.794 744 HB2 ALA 98 HB2 ALA 98 1.794 -7.033 -4.462 745 HB3 ALA 98 HB3 ALA 98 0.780 -8.430 -4.105 746 HA PRO 99 HA PRO 99 0.793 -5.466 -9.477 747 HB2 PRO 99 HB2 PRO 99 -0.978 -3.722 -7.853 748 HB3 PRO 99 HB1 PRO 99 -1.114 -4.190 -9.547 749 HG2 PRO 99 HG2 PRO 99 -2.703 -5.272 -7.725 750 HG3 PRO 99 HG1 PRO 99 -2.017 -6.257 -9.028 751 HD2 PRO 99 HD2 PRO 99 -1.196 -6.078 -6.158 752 HD3 PRO 99 HD1 PRO 99 -1.299 -7.505 -7.212 753 H VAL 100 HN VAL 100 2.078 -3.747 -9.901 754 HA VAL 100 HA VAL 100 3.190 -2.296 -7.590 755 HB VAL 100 HB VAL 100 4.675 -3.039 -10.122 756 HG11 VAL 100 HG11 VAL 100 5.632 -1.743 -7.576 757 HG12 VAL 100 HG12 VAL 100 5.463 -0.962 -9.148 758 HG13 VAL 100 HG13 VAL 100 6.656 -2.238 -8.921 759 HG21 VAL 100 HG21 VAL 100 4.243 -5.015 -8.771 760 HG22 VAL 100 HG22 VAL 100 4.906 -4.206 -7.352 761 HG23 VAL 100 HG23 VAL 100 5.953 -4.586 -8.718 762 H MET 101 HN MET 101 3.257 -0.129 -7.721 763 HA MET 101 HA MET 101 2.700 1.147 -10.323 764 HB2 MET 101 HB2 MET 101 1.946 2.049 -7.536 765 HB3 MET 101 HB1 MET 101 1.898 3.118 -8.930 766 HG2 MET 101 HG2 MET 101 0.372 0.539 -8.779 767 HG3 MET 101 HG1 MET 101 -0.286 2.087 -8.258 768 HE1 MET 101 HE1 MET 101 0.558 4.209 -10.221 769 HE2 MET 101 HE2 MET 101 -1.152 3.953 -9.869 770 HE3 MET 101 HE3 MET 101 -0.608 4.096 -11.539 771 H ALA 102 HN ALA 102 4.583 1.802 -11.092 772 HA ALA 102 HA ALA 102 6.909 2.054 -9.512 773 HB1 ALA 102 HB1 ALA 102 6.434 2.994 -12.336 774 HB2 ALA 102 HB2 ALA 102 6.956 1.378 -11.861 775 HB3 ALA 102 HB3 ALA 102 8.003 2.767 -11.564 776 H LYS 103 HN LYS 103 8.075 3.810 -8.855 777 HA LYS 103 HA LYS 103 6.659 6.351 -8.721 778 HB2 LYS 103 HB2 LYS 103 9.216 5.390 -7.428 779 HB3 LYS 103 HB1 LYS 103 8.604 7.026 -7.264 780 HG2 LYS 103 HG2 LYS 103 6.534 6.089 -6.262 781 HG3 LYS 103 HG1 LYS 103 7.291 4.497 -6.308 782 HD2 LYS 103 HD2 LYS 103 8.945 5.116 -4.755 783 HD3 LYS 103 HD1 LYS 103 8.609 6.835 -4.958 784 HE2 LYS 103 HE2 LYS 103 6.419 6.528 -3.906 785 HE3 LYS 103 HE1 LYS 103 6.758 4.809 -3.704 786 HZ1 LYS 103 HZ1 LYS 103 7.146 6.239 -1.697 787 HZ2 LYS 103 HZ2 LYS 103 8.464 6.921 -2.519 788 HZ3 LYS 103 HZ3 LYS 103 8.459 5.268 -2.159 789 HA PRO 104 HA PRO 104 7.100 8.481 -8.455 790 HB2 PRO 104 HB2 PRO 104 6.524 10.378 -10.566 791 HB3 PRO 104 HB1 PRO 104 7.387 10.645 -9.051 792 HG2 PRO 104 HG2 PRO 104 8.593 10.722 -11.490 793 HG3 PRO 104 HG1 PRO 104 9.435 10.264 -10.000 794 HD2 PRO 104 HD2 PRO 104 8.303 8.513 -12.154 795 HD3 PRO 104 HD1 PRO 104 9.843 8.369 -11.279 796 H ALA 105 HN ALA 105 4.855 8.781 -8.322 797 HA ALA 105 HA ALA 105 3.219 7.908 -10.584 798 HB1 ALA 105 HB1 ALA 105 3.065 6.623 -7.849 799 HB2 ALA 105 HB2 ALA 105 3.697 5.860 -9.313 800 HB3 ALA 105 HB3 ALA 105 1.988 6.298 -9.215 801 H ASP 106 HN ASP 106 1.314 8.992 -10.680 802 HA ASP 106 HA ASP 106 0.736 11.014 -8.747 803 HB2 ASP 106 HB2 ASP 106 0.063 11.163 -11.173 804 HB3 ASP 106 HB1 ASP 106 -1.144 9.921 -10.853 805 H THR 107 HN THR 107 -0.557 10.932 -7.035 806 HA THR 107 HA THR 107 -0.867 8.374 -5.890 807 HB THR 107 HB THR 107 -1.943 9.715 -4.004 808 HG1 THR 107 HG1 THR 107 -2.152 11.848 -4.269 809 HG21 THR 107 HG21 THR 107 0.796 10.528 -5.000 810 HG22 THR 107 HG22 THR 107 0.437 9.068 -4.072 811 HG23 THR 107 HG23 THR 107 0.218 10.657 -3.338 812 H SER 108 HN SER 108 -3.069 10.396 -7.681 813 HA SER 108 HA SER 108 -5.444 9.149 -6.695 814 HB2 SER 108 HB2 SER 108 -6.575 10.171 -8.618 815 HB3 SER 108 HB1 SER 108 -5.525 11.343 -7.824 816 HG SER 108 HG SER 108 -3.987 11.016 -9.458 817 H ASP 109 HN ASP 109 -3.215 8.536 -9.351 818 HA ASP 109 HA ASP 109 -4.617 6.404 -10.573 819 HB2 ASP 109 HB2 ASP 109 -1.698 7.154 -10.457 820 HB3 ASP 109 HB1 ASP 109 -2.235 5.694 -11.278 821 H VAL 110 HN VAL 110 -2.160 6.535 -8.070 822 HA VAL 110 HA VAL 110 -1.892 3.778 -7.644 823 HB VAL 110 HB VAL 110 -1.544 5.931 -5.559 824 HG11 VAL 110 HG11 VAL 110 -0.128 3.296 -5.905 825 HG12 VAL 110 HG12 VAL 110 -1.471 3.576 -4.797 826 HG13 VAL 110 HG13 VAL 110 0.055 4.437 -4.571 827 HG21 VAL 110 HG21 VAL 110 0.771 6.117 -6.327 828 HG22 VAL 110 HG22 VAL 110 -0.370 6.578 -7.593 829 HG23 VAL 110 HG23 VAL 110 0.421 5.001 -7.649 830 H ALA 111 HN ALA 111 -3.954 6.210 -6.100 831 HA ALA 111 HA ALA 111 -5.099 4.540 -4.151 832 HB1 ALA 111 HB1 ALA 111 -5.174 6.982 -4.042 833 HB2 ALA 111 HB2 ALA 111 -6.788 6.279 -3.912 834 HB3 ALA 111 HB3 ALA 111 -6.263 7.009 -5.430 835 H LYS 112 HN LYS 112 -6.243 5.476 -7.378 836 HA LYS 112 HA LYS 112 -8.702 4.128 -7.234 837 HB2 LYS 112 HB2 LYS 112 -7.020 4.958 -9.595 838 HB3 LYS 112 HB1 LYS 112 -8.628 4.258 -9.753 839 HG2 LYS 112 HG2 LYS 112 -9.492 6.123 -8.334 840 HG3 LYS 112 HG1 LYS 112 -7.887 6.849 -8.422 841 HD2 LYS 112 HD2 LYS 112 -8.038 7.028 -10.812 842 HD3 LYS 112 HD1 LYS 112 -9.566 6.148 -10.821 843 HE2 LYS 112 HE2 LYS 112 -10.603 7.958 -9.530 844 HE3 LYS 112 HE1 LYS 112 -9.074 8.835 -9.550 845 HZ1 LYS 112 HZ1 LYS 112 -10.594 8.060 -11.977 846 HZ2 LYS 112 HZ2 LYS 112 -9.205 9.023 -11.919 847 HZ3 LYS 112 HZ3 LYS 112 -10.655 9.589 -11.257 848 H ARG 113 HN ARG 113 -5.557 3.094 -8.518 849 HA ARG 113 HA ARG 113 -6.434 0.601 -9.495 850 HB2 ARG 113 HB2 ARG 113 -3.700 1.480 -8.591 851 HB3 ARG 113 HB1 ARG 113 -4.035 -0.043 -9.408 852 HG2 ARG 113 HG2 ARG 113 -4.453 2.720 -10.515 853 HG3 ARG 113 HG1 ARG 113 -3.223 1.556 -10.986 854 HD2 ARG 113 HD2 ARG 113 -4.944 0.036 -11.801 855 HD3 ARG 113 HD1 ARG 113 -6.191 1.180 -11.305 856 HE ARG 113 HE ARG 113 -4.232 2.248 -13.132 857 HH11 ARG 113 HH11 ARG 113 -7.334 0.661 -12.777 858 HH12 ARG 113 HH12 ARG 113 -7.891 1.138 -14.354 859 HH21 ARG 113 HH21 ARG 113 -4.975 2.911 -15.177 860 HH22 ARG 113 HH22 ARG 113 -6.549 2.422 -15.718 861 H ALA 114 HN ALA 114 -5.389 1.659 -6.335 862 HA ALA 114 HA ALA 114 -5.155 -0.953 -5.218 863 HB1 ALA 114 HB1 ALA 114 -5.516 1.728 -3.884 864 HB2 ALA 114 HB2 ALA 114 -3.979 0.935 -4.235 865 HB3 ALA 114 HB3 ALA 114 -5.092 0.231 -3.056 866 H LEU 115 HN LEU 115 -7.675 1.551 -5.150 867 HA LEU 115 HA LEU 115 -9.412 0.077 -3.480 868 HB2 LEU 115 HB2 LEU 115 -9.866 2.453 -5.251 869 HB3 LEU 115 HB1 LEU 115 -11.094 1.786 -4.190 870 HG LEU 115 HG LEU 115 -8.435 2.912 -3.314 871 HD11 LEU 115 HD11 LEU 115 -11.233 3.955 -3.001 872 HD12 LEU 115 HD12 LEU 115 -9.981 4.622 -4.050 873 HD13 LEU 115 HD13 LEU 115 -9.780 4.665 -2.296 874 HD21 LEU 115 HD21 LEU 115 -10.739 1.847 -1.686 875 HD22 LEU 115 HD22 LEU 115 -9.286 2.622 -1.049 876 HD23 LEU 115 HD23 LEU 115 -9.166 1.079 -1.889 877 H GLU 116 HN GLU 116 -9.032 0.181 -6.979 878 HA GLU 116 HA GLU 116 -11.548 -0.970 -7.588 879 HB2 GLU 116 HB2 GLU 116 -10.620 -1.502 -9.784 880 HB3 GLU 116 HB1 GLU 116 -10.206 0.127 -9.306 881 HG2 GLU 116 HG2 GLU 116 -7.977 -0.508 -8.783 882 HG3 GLU 116 HG1 GLU 116 -8.370 -2.196 -9.050 883 H MET 117 HN MET 117 -8.477 -2.347 -6.637 884 HA MET 117 HA MET 117 -9.150 -5.051 -7.181 885 HB2 MET 117 HB2 MET 117 -7.152 -3.888 -5.237 886 HB3 MET 117 HB1 MET 117 -7.269 -5.587 -5.653 887 HG2 MET 117 HG2 MET 117 -6.851 -4.909 -8.042 888 HG3 MET 117 HG1 MET 117 -6.457 -3.308 -7.421 889 HE1 MET 117 HE1 MET 117 -5.056 -4.345 -4.546 890 HE2 MET 117 HE2 MET 117 -4.626 -2.941 -5.524 891 HE3 MET 117 HE3 MET 117 -3.392 -4.126 -5.091 892 H CYS 118 HN CYS 118 -9.685 -2.893 -4.494 893 HA CYS 118 HA CYS 118 -10.475 -4.958 -2.670 894 HB2 CYS 118 HB2 CYS 118 -9.536 -2.810 -1.895 895 HB3 CYS 118 HB1 CYS 118 -10.945 -1.972 -2.533 896 HG CYS 118 HG CYS 118 -10.949 -4.230 0.038 897 H GLY 119 HN GLY 119 -12.146 -2.595 -4.707 898 HA2 GLY 119 HA2 GLY 119 -14.187 -2.857 -5.770 899 HA3 GLY 119 HA1 GLY 119 -14.409 -4.377 -4.919 900 H GLY 120 HN GLY 120 -14.876 -4.166 -2.557 901 HA2 GLY 120 HA2 GLY 120 -15.749 -2.074 -1.129 902 HA3 GLY 120 HA1 GLY 120 -17.069 -2.288 -2.270 903 H ASP 121 HN ASP 121 -15.099 -4.048 0.079 904 HA ASP 121 HA ASP 121 -17.088 -6.143 0.288 905 HB2 ASP 121 HB2 ASP 121 -14.615 -6.597 0.367 906 HB3 ASP 121 HB1 ASP 121 -14.570 -5.773 1.922 907 H LYS 122 HN LYS 122 -18.574 -6.340 1.847 908 HA LYS 122 HA LYS 122 -18.437 -4.487 4.129 909 HB2 LYS 122 HB2 LYS 122 -20.171 -3.824 2.477 910 HB3 LYS 122 HB1 LYS 122 -20.941 -5.389 2.704 911 HG2 LYS 122 HG2 LYS 122 -21.400 -4.873 5.017 912 HG3 LYS 122 HG1 LYS 122 -20.532 -3.344 4.874 913 HD2 LYS 122 HD2 LYS 122 -22.151 -2.638 3.148 914 HD3 LYS 122 HD1 LYS 122 -23.050 -4.129 3.420 915 HE2 LYS 122 HE2 LYS 122 -24.090 -2.329 4.644 916 HE3 LYS 122 HE1 LYS 122 -23.365 -3.467 5.778 917 HZ1 LYS 122 HZ1 LYS 122 -21.481 -1.977 6.007 918 HZ2 LYS 122 HZ2 LYS 122 -22.911 -1.181 6.408 919 HZ3 LYS 122 HZ3 LYS 122 -22.169 -0.887 4.918 920 H GLU 123 HN GLU 123 -18.442 -5.477 6.046 921 HA GLU 123 HA GLU 123 -19.161 -8.309 6.152 922 HB2 GLU 123 HB2 GLU 123 -16.971 -7.572 7.090 923 HB3 GLU 123 HB1 GLU 123 -17.839 -6.603 8.272 924 HG2 GLU 123 HG2 GLU 123 -18.882 -8.646 9.153 925 HG3 GLU 123 HG1 GLU 123 -17.952 -9.599 7.997 926 HA PRO 124 HA PRO 124 -23.018 -6.803 7.908 927 HB2 PRO 124 HB2 PRO 124 -24.420 -9.059 7.560 928 HB3 PRO 124 HB1 PRO 124 -24.000 -8.017 6.193 929 HG2 PRO 124 HG2 PRO 124 -22.695 -10.550 7.116 930 HG3 PRO 124 HG1 PRO 124 -23.096 -10.037 5.468 931 HD2 PRO 124 HD2 PRO 124 -20.599 -9.812 6.564 932 HD3 PRO 124 HD1 PRO 124 -21.208 -8.755 5.277 933 H ALA 125 HN ALA 125 -21.099 -7.290 9.769 934 HA ALA 125 HA ALA 125 -22.499 -9.004 11.709 935 HB1 ALA 125 HB1 ALA 125 -19.505 -8.728 11.448 936 HB2 ALA 125 HB2 ALA 125 -20.451 -10.120 10.922 937 HB3 ALA 125 HB3 ALA 125 -20.368 -9.708 12.633
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