NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
279037 | 2kr1 | 16620 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 0.156 1.484 -0.362 2 HA MET 1 HA MET 1 2.653 0.457 -1.570 3 HB2 MET 1 HB2 MET 1 -0.254 -0.031 -2.367 4 HB3 MET 1 HB3 MET 1 1.134 -0.487 -3.352 5 HG2 MET 1 HG2 MET 1 0.429 -1.570 -0.619 6 HG3 MET 1 HG3 MET 1 0.328 -2.432 -2.154 7 HE1 MET 1 HE1 MET 1 3.064 -1.549 -3.611 8 HE2 MET 1 HE2 MET 1 2.492 -3.217 -3.560 9 HE3 MET 1 HE3 MET 1 4.147 -2.838 -3.084 10 H LYS 2 H LYS 2 0.097 2.848 -1.545 11 HA LYS 2 HA LYS 2 0.542 4.099 -4.032 12 HB2 LYS 2 HB2 LYS 2 -1.466 4.548 -2.710 13 HB3 LYS 2 HB3 LYS 2 -0.506 5.223 -1.398 14 HG2 LYS 2 HG2 LYS 2 0.221 7.068 -2.981 15 HG3 LYS 2 HG3 LYS 2 -0.921 6.424 -4.162 16 HD2 LYS 2 HD2 LYS 2 -1.665 7.426 -1.385 17 HD3 LYS 2 HD3 LYS 2 -1.836 8.360 -2.871 18 HE2 LYS 2 HE2 LYS 2 -3.495 6.825 -3.723 19 HE3 LYS 2 HE3 LYS 2 -3.237 5.711 -2.379 20 HZ1 LYS 2 HZ1 LYS 2 -4.306 8.466 -2.152 21 HZ2 LYS 2 HZ2 LYS 2 -4.073 7.395 -0.870 22 HZ3 LYS 2 HZ3 LYS 2 -5.220 7.045 -2.066 23 H ARG 3 H ARG 3 2.469 4.814 -4.654 24 HA ARG 3 HA ARG 3 4.485 5.856 -2.825 25 HB2 ARG 3 HB2 ARG 3 4.586 5.605 -5.866 26 HB3 ARG 3 HB3 ARG 3 5.950 5.876 -4.792 27 HG2 ARG 3 HG2 ARG 3 4.277 3.348 -4.929 28 HG3 ARG 3 HG3 ARG 3 5.893 3.552 -5.602 29 HD2 ARG 3 HD2 ARG 3 6.830 3.826 -3.361 30 HD3 ARG 3 HD3 ARG 3 5.214 3.764 -2.646 31 HE ARG 3 HE ARG 3 5.970 1.443 -4.221 32 HH11 ARG 3 HH11 ARG 3 5.847 2.815 -0.984 33 HH12 ARG 3 HH12 ARG 3 5.966 1.276 -0.201 34 HH21 ARG 3 HH21 ARG 3 6.080 -0.565 -3.169 35 HH22 ARG 3 HH22 ARG 3 6.089 -0.637 -1.435 36 H ALA 4 H ALA 4 3.821 7.877 -2.115 37 HA ALA 4 HA ALA 4 2.376 9.789 -3.613 38 HB1 ALA 4 HB1 ALA 4 2.848 11.332 -1.758 39 HB2 ALA 4 HB2 ALA 4 4.087 10.233 -1.142 40 HB3 ALA 4 HB3 ALA 4 2.395 9.739 -1.150 41 H ALA 5 H ALA 5 5.854 9.454 -2.946 42 HA ALA 5 HA ALA 5 6.767 11.858 -4.116 43 HB1 ALA 5 HB1 ALA 5 8.990 10.800 -4.120 44 HB2 ALA 5 HB2 ALA 5 8.254 9.224 -3.815 45 HB3 ALA 5 HB3 ALA 5 8.150 10.498 -2.599 46 H ALA 6 H ALA 6 6.369 8.589 -5.463 47 HA ALA 6 HA ALA 6 7.313 9.102 -8.088 48 HB1 ALA 6 HB1 ALA 6 6.265 6.968 -8.688 49 HB2 ALA 6 HB2 ALA 6 5.365 6.959 -7.167 50 HB3 ALA 6 HB3 ALA 6 7.124 6.826 -7.155 51 H LYS 7 H LYS 7 4.085 9.224 -6.627 52 HA LYS 7 HA LYS 7 2.575 9.556 -9.004 53 HB2 LYS 7 HB2 LYS 7 1.616 8.783 -6.856 54 HB3 LYS 7 HB3 LYS 7 1.895 10.370 -6.140 55 HG2 LYS 7 HG2 LYS 7 0.275 11.391 -7.665 56 HG3 LYS 7 HG3 LYS 7 0.062 9.862 -8.519 57 HD2 LYS 7 HD2 LYS 7 -0.697 10.406 -5.620 58 HD3 LYS 7 HD3 LYS 7 -1.817 10.289 -6.977 59 HE2 LYS 7 HE2 LYS 7 -0.075 8.047 -5.894 60 HE3 LYS 7 HE3 LYS 7 -1.817 8.203 -5.687 61 HZ1 LYS 7 HZ1 LYS 7 -1.296 6.639 -7.430 62 HZ2 LYS 7 HZ2 LYS 7 -0.397 7.797 -8.263 63 HZ3 LYS 7 HZ3 LYS 7 -2.066 7.987 -8.096 64 H HIS 8 H HIS 8 3.962 11.860 -6.692 65 HA HIS 8 HA HIS 8 2.992 14.228 -7.968 66 HB2 HIS 8 HB2 HIS 8 5.202 13.838 -5.910 67 HB3 HIS 8 HB3 HIS 8 4.724 15.421 -6.530 68 HD1 HIS 8 HD1 HIS 8 4.116 13.356 -3.739 69 HD2 HIS 8 HD2 HIS 8 1.688 15.710 -6.134 70 HE1 HIS 8 HE1 HIS 8 2.073 13.801 -2.377 71 HE2 HIS 8 HE2 HIS 8 0.538 15.064 -3.922 72 H LEU 9 H LEU 9 5.935 12.282 -8.293 73 HA LEU 9 HA LEU 9 7.440 14.038 -9.925 74 HB2 LEU 9 HB2 LEU 9 7.832 11.463 -8.856 75 HB3 LEU 9 HB3 LEU 9 7.788 11.155 -10.579 76 HG LEU 9 HG LEU 9 10.101 11.433 -9.772 77 HD11 LEU 9 HD11 LEU 9 9.273 13.736 -11.558 78 HD12 LEU 9 HD12 LEU 9 9.653 12.092 -12.077 79 HD13 LEU 9 HD13 LEU 9 10.911 13.101 -11.370 80 HD21 LEU 9 HD21 LEU 9 9.307 14.252 -8.972 81 HD22 LEU 9 HD22 LEU 9 10.925 13.550 -8.881 82 HD23 LEU 9 HD23 LEU 9 9.635 12.916 -7.863 83 H ILE 10 H ILE 10 5.183 11.434 -10.747 84 HA ILE 10 HA ILE 10 5.030 11.727 -13.536 85 HB ILE 10 HB ILE 10 2.900 10.795 -11.544 86 HG12 ILE 10 HG12 ILE 10 4.734 9.103 -13.309 87 HG13 ILE 10 HG13 ILE 10 5.064 9.467 -11.622 88 HG21 ILE 10 HG21 ILE 10 1.760 9.680 -13.455 89 HG22 ILE 10 HG22 ILE 10 2.905 10.421 -14.575 90 HG23 ILE 10 HG23 ILE 10 1.793 11.434 -13.653 91 HD11 ILE 10 HD11 ILE 10 4.147 7.249 -11.885 92 HD12 ILE 10 HD12 ILE 10 2.704 7.903 -12.659 93 HD13 ILE 10 HD13 ILE 10 3.040 8.264 -10.961 94 H GLU 11 H GLU 11 3.361 13.390 -10.887 95 HA GLU 11 HA GLU 11 1.489 14.861 -12.454 96 HB2 GLU 11 HB2 GLU 11 1.169 14.330 -10.041 97 HB3 GLU 11 HB3 GLU 11 2.504 15.402 -9.639 98 HG2 GLU 11 HG2 GLU 11 1.223 17.332 -10.489 99 HG3 GLU 11 HG3 GLU 11 -0.121 16.269 -10.913 100 H ARG 12 H ARG 12 4.836 15.413 -11.603 101 HA ARG 12 HA ARG 12 4.855 18.222 -12.328 102 HB2 ARG 12 HB2 ARG 12 7.175 16.273 -11.937 103 HB3 ARG 12 HB3 ARG 12 7.336 18.018 -12.147 104 HG2 ARG 12 HG2 ARG 12 6.018 18.377 -10.083 105 HG3 ARG 12 HG3 ARG 12 5.893 16.643 -9.875 106 HD2 ARG 12 HD2 ARG 12 8.384 16.516 -9.686 107 HD3 ARG 12 HD3 ARG 12 8.433 18.284 -9.752 108 HE ARG 12 HE ARG 12 6.768 17.987 -7.737 109 HH11 ARG 12 HH11 ARG 12 9.733 16.186 -8.307 110 HH12 ARG 12 HH12 ARG 12 10.032 15.918 -6.618 111 HH21 ARG 12 HH21 ARG 12 7.184 17.604 -5.534 112 HH22 ARG 12 HH22 ARG 12 8.600 16.720 -5.057 113 H TYR 13 H TYR 13 5.623 15.144 -13.913 114 HA TYR 13 HA TYR 13 6.316 16.226 -16.462 115 HB2 TYR 13 HB2 TYR 13 5.262 13.500 -15.601 116 HB3 TYR 13 HB3 TYR 13 5.585 13.876 -17.293 117 HD1 TYR 13 HD1 TYR 13 8.022 14.704 -17.860 118 HD2 TYR 13 HD2 TYR 13 7.025 12.604 -14.270 119 HE1 TYR 13 HE1 TYR 13 10.365 14.018 -17.598 120 HE2 TYR 13 HE2 TYR 13 9.363 11.925 -14.019 121 HH TYR 13 HH TYR 13 11.340 11.599 -15.448 122 H TYR 14 H TYR 14 3.252 15.251 -14.985 123 HA TYR 14 HA TYR 14 1.564 15.542 -17.246 124 HB2 TYR 14 HB2 TYR 14 0.806 14.195 -15.371 125 HB3 TYR 14 HB3 TYR 14 1.006 15.536 -14.248 126 HD1 TYR 14 HD1 TYR 14 -0.982 14.573 -17.305 127 HD2 TYR 14 HD2 TYR 14 -0.894 16.824 -13.670 128 HE1 TYR 14 HE1 TYR 14 -3.320 15.212 -17.642 129 HE2 TYR 14 HE2 TYR 14 -3.229 17.462 -14.015 130 HH TYR 14 HH TYR 14 -5.200 15.978 -16.384 131 H HIS 15 H HIS 15 2.466 17.710 -14.596 132 HA HIS 15 HA HIS 15 0.943 19.979 -15.346 133 HB2 HIS 15 HB2 HIS 15 1.930 19.754 -13.073 134 HB3 HIS 15 HB3 HIS 15 3.552 19.841 -13.750 135 HD1 HIS 15 HD1 HIS 15 4.419 22.198 -14.447 136 HD2 HIS 15 HD2 HIS 15 0.565 22.223 -12.911 137 HE1 HIS 15 HE1 HIS 15 3.887 24.605 -14.006 138 HE2 HIS 15 HE2 HIS 15 1.608 24.578 -12.931 139 H GLN 16 H GLN 16 4.157 18.783 -16.170 140 HA GLN 16 HA GLN 16 5.149 20.987 -17.590 141 HB2 GLN 16 HB2 GLN 16 6.611 19.184 -16.857 142 HB3 GLN 16 HB3 GLN 16 5.754 18.015 -17.855 143 HG2 GLN 16 HG2 GLN 16 6.573 19.119 -19.883 144 HG3 GLN 16 HG3 GLN 16 7.392 20.341 -18.915 145 HE21 GLN 16 HE21 GLN 16 7.437 16.993 -19.947 146 HE22 GLN 16 HE22 GLN 16 9.059 16.656 -19.447 147 H LEU 17 H LEU 17 3.091 18.267 -18.674 148 HA LEU 17 HA LEU 17 3.087 19.166 -21.431 149 HB2 LEU 17 HB2 LEU 17 1.647 16.939 -19.969 150 HB3 LEU 17 HB3 LEU 17 1.122 17.409 -21.573 151 HG LEU 17 HG LEU 17 2.509 15.561 -21.975 152 HD11 LEU 17 HD11 LEU 17 3.054 17.401 -23.471 153 HD12 LEU 17 HD12 LEU 17 4.454 16.373 -23.194 154 HD13 LEU 17 HD13 LEU 17 4.339 17.936 -22.383 155 HD21 LEU 17 HD21 LEU 17 4.589 16.643 -20.054 156 HD22 LEU 17 HD22 LEU 17 4.737 15.170 -21.019 157 HD23 LEU 17 HD23 LEU 17 3.501 15.282 -19.769 158 H THR 18 H THR 18 0.804 19.461 -18.674 159 HA THR 18 HA THR 18 -1.340 20.475 -20.345 160 HB THR 18 HB THR 18 -2.517 20.900 -18.112 161 HG1 THR 18 HG1 THR 18 -0.709 19.323 -16.734 162 HG21 THR 18 HG21 THR 18 -2.893 18.515 -17.616 163 HG22 THR 18 HG22 THR 18 -1.467 18.078 -18.555 164 HG23 THR 18 HG23 THR 18 -2.868 18.790 -19.359 165 H GLU 19 H GLU 19 0.546 21.938 -17.675 166 HA GLU 19 HA GLU 19 -0.338 24.634 -18.524 167 HB2 GLU 19 HB2 GLU 19 0.891 23.674 -15.904 168 HB3 GLU 19 HB3 GLU 19 0.364 25.325 -16.234 169 HG2 GLU 19 HG2 GLU 19 -1.961 24.548 -16.512 170 HG3 GLU 19 HG3 GLU 19 -1.442 22.886 -16.226 171 H GLY 20 H GLY 20 2.456 22.625 -18.427 172 HA2 GLY 20 HA2 GLY 20 4.520 23.066 -19.433 173 HA3 GLY 20 HA3 GLY 20 4.206 24.791 -19.339 174 H CYS 21 H CYS 21 6.097 25.322 -18.401 175 HA CYS 21 HA CYS 21 6.440 24.598 -15.540 176 HB2 CYS 21 HB2 CYS 21 8.923 24.707 -15.909 177 HB3 CYS 21 HB3 CYS 21 8.136 23.386 -16.775 178 H GLY 22 H GLY 22 5.577 27.042 -17.491 179 HA2 GLY 22 HA2 GLY 22 5.030 29.157 -16.675 180 HA3 GLY 22 HA3 GLY 22 6.249 29.011 -15.427 181 H ASN 23 H ASN 23 8.474 28.395 -17.144 182 HA ASN 23 HA ASN 23 9.240 31.094 -17.664 183 HB2 ASN 23 HB2 ASN 23 11.464 30.251 -18.180 184 HB3 ASN 23 HB3 ASN 23 10.859 29.478 -16.720 185 HD21 ASN 23 HD21 ASN 23 12.994 28.552 -18.451 186 HD22 ASN 23 HD22 ASN 23 12.514 26.999 -19.039 187 H GLU 24 H GLU 24 9.571 32.175 -19.556 188 HA GLU 24 HA GLU 24 8.285 31.336 -21.961 189 HB2 GLU 24 HB2 GLU 24 8.464 33.729 -21.291 190 HB3 GLU 24 HB3 GLU 24 10.215 33.656 -21.475 191 HG2 GLU 24 HG2 GLU 24 9.937 33.194 -23.903 192 HG3 GLU 24 HG3 GLU 24 8.188 33.296 -23.717 193 H ALA 25 H ALA 25 11.666 31.565 -20.915 194 HA ALA 25 HA ALA 25 12.714 30.583 -23.456 195 HB1 ALA 25 HB1 ALA 25 14.161 31.309 -20.886 196 HB2 ALA 25 HB2 ALA 25 13.913 32.369 -22.274 197 HB3 ALA 25 HB3 ALA 25 14.926 30.933 -22.432 198 H CYS 26 H CYS 26 11.421 28.586 -23.199 199 HA CYS 26 HA CYS 26 13.152 26.461 -22.102 200 HB2 CYS 26 HB2 CYS 26 11.141 26.602 -20.634 201 HB3 CYS 26 HB3 CYS 26 10.091 26.419 -22.036 202 H THR 27 H THR 27 13.859 25.229 -23.735 203 HA THR 27 HA THR 27 12.205 24.903 -26.176 204 HB THR 27 HB THR 27 14.152 26.194 -26.800 205 HG1 THR 27 HG1 THR 27 14.309 25.025 -28.525 206 HG21 THR 27 HG21 THR 27 15.894 24.028 -25.553 207 HG22 THR 27 HG22 THR 27 15.722 25.685 -24.976 208 HG23 THR 27 HG23 THR 27 16.491 25.373 -26.532 209 H ASN 28 H ASN 28 11.253 23.275 -24.771 210 HA ASN 28 HA ASN 28 12.628 20.658 -24.975 211 HB2 ASN 28 HB2 ASN 28 12.523 21.532 -22.597 212 HB3 ASN 28 HB3 ASN 28 10.773 21.572 -22.712 213 HD21 ASN 28 HD21 ASN 28 12.334 20.147 -20.799 214 HD22 ASN 28 HD22 ASN 28 11.971 18.468 -20.980 215 H GLU 29 H GLU 29 11.548 19.540 -26.473 216 HA GLU 29 HA GLU 29 9.031 20.273 -27.558 217 HB2 GLU 29 HB2 GLU 29 9.237 18.155 -28.871 218 HB3 GLU 29 HB3 GLU 29 10.679 19.162 -28.941 219 HG2 GLU 29 HG2 GLU 29 11.775 17.706 -27.259 220 HG3 GLU 29 HG3 GLU 29 10.328 16.696 -27.215 221 H PHE 30 H PHE 30 9.915 18.129 -24.984 222 HA PHE 30 HA PHE 30 7.340 16.763 -24.816 223 HB2 PHE 30 HB2 PHE 30 9.771 16.636 -22.981 224 HB3 PHE 30 HB3 PHE 30 8.383 15.553 -22.934 225 HD1 PHE 30 HD1 PHE 30 7.871 14.320 -25.266 226 HD2 PHE 30 HD2 PHE 30 11.688 15.889 -24.116 227 HE1 PHE 30 HE1 PHE 30 8.980 12.807 -26.854 228 HE2 PHE 30 HE2 PHE 30 12.785 14.373 -25.709 229 HZ PHE 30 HZ PHE 30 11.437 12.828 -27.077 230 H CYS 31 H CYS 31 7.503 19.745 -24.428 231 HA CYS 31 HA CYS 31 6.367 20.005 -21.732 232 HB2 CYS 31 HB2 CYS 31 8.802 20.352 -21.473 233 HB3 CYS 31 HB3 CYS 31 8.776 21.585 -22.714 234 H ALA 32 H ALA 32 4.805 21.470 -21.663 235 HA ALA 32 HA ALA 32 4.114 23.272 -23.807 236 HB1 ALA 32 HB1 ALA 32 2.259 23.930 -22.287 237 HB2 ALA 32 HB2 ALA 32 2.958 22.938 -21.006 238 HB3 ALA 32 HB3 ALA 32 2.352 22.178 -22.476 239 H SER 33 H SER 33 3.691 25.639 -23.151 240 HA SER 33 HA SER 33 4.595 27.683 -22.856 241 HB2 SER 33 HB2 SER 33 6.484 26.542 -20.748 242 HB3 SER 33 HB3 SER 33 6.008 28.230 -20.952 243 HG SER 33 HG SER 33 3.785 26.856 -20.662 244 H CYS 34 H CYS 34 6.100 25.153 -24.215 245 HA CYS 34 HA CYS 34 8.471 26.633 -25.154 246 HB2 CYS 34 HB2 CYS 34 7.828 23.665 -25.471 247 HB3 CYS 34 HB3 CYS 34 9.380 24.460 -25.750 248 HG CYS 34 HG CYS 34 7.899 24.291 -22.679 249 HA PRO 35 HA PRO 35 6.367 27.402 -29.087 250 HB2 PRO 35 HB2 PRO 35 9.030 26.796 -30.386 251 HB3 PRO 35 HB3 PRO 35 8.003 28.232 -30.539 252 HG2 PRO 35 HG2 PRO 35 10.230 28.326 -29.072 253 HG3 PRO 35 HG3 PRO 35 8.758 29.144 -28.511 254 HD2 PRO 35 HD2 PRO 35 9.917 26.501 -27.615 255 HD3 PRO 35 HD3 PRO 35 9.206 27.806 -26.638 256 H THR 36 H THR 36 8.357 24.555 -28.689 257 HA THR 36 HA THR 36 7.586 23.242 -31.140 258 HB THR 36 HB THR 36 9.118 21.439 -30.231 259 HG1 THR 36 HG1 THR 36 10.343 22.111 -28.328 260 HG21 THR 36 HG21 THR 36 10.259 24.265 -30.233 261 HG22 THR 36 HG22 THR 36 10.028 23.244 -31.656 262 HG23 THR 36 HG23 THR 36 11.195 22.779 -30.416 263 H PHE 37 H PHE 37 5.885 23.575 -28.322 264 HA PHE 37 HA PHE 37 4.993 20.831 -27.936 265 HB2 PHE 37 HB2 PHE 37 5.192 22.295 -25.976 266 HB3 PHE 37 HB3 PHE 37 4.061 23.448 -26.680 267 HD1 PHE 37 HD1 PHE 37 4.245 19.818 -25.696 268 HD2 PHE 37 HD2 PHE 37 1.800 23.317 -25.987 269 HE1 PHE 37 HE1 PHE 37 2.392 18.624 -24.608 270 HE2 PHE 37 HE2 PHE 37 -0.039 22.117 -24.897 271 HZ PHE 37 HZ PHE 37 0.250 19.772 -24.206 272 H LEU 38 H LEU 38 3.256 19.909 -28.843 273 HA LEU 38 HA LEU 38 1.189 21.512 -30.242 274 HB2 LEU 38 HB2 LEU 38 2.352 19.676 -31.489 275 HB3 LEU 38 HB3 LEU 38 1.749 18.505 -30.339 276 HG LEU 38 HG LEU 38 -0.166 20.174 -32.026 277 HD11 LEU 38 HD11 LEU 38 1.358 19.108 -33.613 278 HD12 LEU 38 HD12 LEU 38 -0.240 18.378 -33.708 279 HD13 LEU 38 HD13 LEU 38 1.070 17.529 -32.879 280 HD21 LEU 38 HD21 LEU 38 -1.714 18.270 -31.730 281 HD22 LEU 38 HD22 LEU 38 -1.217 18.946 -30.184 282 HD23 LEU 38 HD23 LEU 38 -0.509 17.430 -30.745 283 H ARG 39 H ARG 39 -0.741 21.742 -29.294 284 HA ARG 39 HA ARG 39 -1.250 21.130 -26.620 285 HB2 ARG 39 HB2 ARG 39 -3.138 21.973 -28.849 286 HB3 ARG 39 HB3 ARG 39 -3.638 21.856 -27.169 287 HG2 ARG 39 HG2 ARG 39 -1.385 23.657 -28.112 288 HG3 ARG 39 HG3 ARG 39 -3.060 24.188 -27.953 289 HD2 ARG 39 HD2 ARG 39 -3.018 23.663 -25.547 290 HD3 ARG 39 HD3 ARG 39 -1.365 23.067 -25.698 291 HE ARG 39 HE ARG 39 -0.622 25.299 -26.138 292 HH11 ARG 39 HH11 ARG 39 -3.951 25.171 -25.051 293 HH12 ARG 39 HH12 ARG 39 -3.939 26.790 -24.437 294 HH21 ARG 39 HH21 ARG 39 -0.621 27.421 -25.310 295 HH22 ARG 39 HH22 ARG 39 -2.057 28.065 -24.587 296 H MET 40 H MET 40 -1.440 19.126 -25.852 297 HA MET 40 HA MET 40 -3.087 17.074 -27.211 298 HB2 MET 40 HB2 MET 40 -1.965 15.456 -25.710 299 HB3 MET 40 HB3 MET 40 -0.792 16.387 -26.627 300 HG2 MET 40 HG2 MET 40 -0.313 17.774 -24.656 301 HG3 MET 40 HG3 MET 40 -1.524 16.890 -23.727 302 HE1 MET 40 HE1 MET 40 2.429 14.985 -25.231 303 HE2 MET 40 HE2 MET 40 1.980 16.664 -25.534 304 HE3 MET 40 HE3 MET 40 1.098 15.357 -26.328 305 H ASP 41 H ASP 41 -4.367 15.657 -25.715 306 HA ASP 41 HA ASP 41 -6.116 17.169 -23.981 307 HB2 ASP 41 HB2 ASP 41 -5.948 14.163 -24.543 308 HB3 ASP 41 HB3 ASP 41 -7.223 14.930 -23.598 309 H ASN 42 H ASN 42 -6.591 16.420 -21.713 310 HA ASN 42 HA ASN 42 -4.201 16.255 -20.131 311 HB2 ASN 42 HB2 ASN 42 -7.141 16.098 -19.338 312 HB3 ASN 42 HB3 ASN 42 -5.823 16.027 -18.167 313 HD21 ASN 42 HD21 ASN 42 -6.334 17.934 -17.127 314 HD22 ASN 42 HD22 ASN 42 -6.201 19.493 -17.862 315 H ASN 43 H ASN 43 -6.465 13.867 -21.325 316 HA ASN 43 HA ASN 43 -5.590 11.656 -19.737 317 HB2 ASN 43 HB2 ASN 43 -6.773 11.595 -22.563 318 HB3 ASN 43 HB3 ASN 43 -6.651 10.223 -21.465 319 HD21 ASN 43 HD21 ASN 43 -8.839 9.775 -21.234 320 HD22 ASN 43 HD22 ASN 43 -9.980 10.887 -20.555 321 H ALA 44 H ALA 44 -4.658 12.955 -22.910 322 HA ALA 44 HA ALA 44 -2.603 11.083 -23.540 323 HB1 ALA 44 HB1 ALA 44 -1.999 12.674 -25.323 324 HB2 ALA 44 HB2 ALA 44 -3.047 13.899 -24.599 325 HB3 ALA 44 HB3 ALA 44 -3.744 12.419 -25.262 326 H ALA 45 H ALA 45 -2.682 14.103 -21.780 327 HA ALA 45 HA ALA 45 0.115 14.622 -21.609 328 HB1 ALA 45 HB1 ALA 45 -0.519 16.249 -19.865 329 HB2 ALA 45 HB2 ALA 45 -2.153 15.579 -19.821 330 HB3 ALA 45 HB3 ALA 45 -1.569 16.390 -21.275 331 H ALA 46 H ALA 46 -2.214 12.840 -19.656 332 HA ALA 46 HA ALA 46 -0.435 12.207 -17.494 333 HB1 ALA 46 HB1 ALA 46 -2.251 10.725 -16.738 334 HB2 ALA 46 HB2 ALA 46 -3.098 10.973 -18.268 335 HB3 ALA 46 HB3 ALA 46 -2.858 12.326 -17.162 336 H ILE 47 H ILE 47 -1.454 10.585 -20.483 337 HA ILE 47 HA ILE 47 -0.175 8.083 -20.096 338 HB ILE 47 HB ILE 47 -1.024 9.610 -22.590 339 HG12 ILE 47 HG12 ILE 47 -2.824 8.579 -21.215 340 HG13 ILE 47 HG13 ILE 47 -2.731 7.839 -22.808 341 HG21 ILE 47 HG21 ILE 47 -0.514 7.611 -23.996 342 HG22 ILE 47 HG22 ILE 47 0.325 6.886 -22.623 343 HG23 ILE 47 HG23 ILE 47 0.935 8.377 -23.338 344 HD11 ILE 47 HD11 ILE 47 -1.663 6.658 -20.240 345 HD12 ILE 47 HD12 ILE 47 -1.556 5.909 -21.835 346 HD13 ILE 47 HD13 ILE 47 -3.130 6.173 -21.089 347 H LYS 48 H LYS 48 0.907 11.096 -21.672 348 HA LYS 48 HA LYS 48 3.514 10.086 -22.305 349 HB2 LYS 48 HB2 LYS 48 2.252 11.901 -23.597 350 HB3 LYS 48 HB3 LYS 48 2.650 13.007 -22.285 351 HG2 LYS 48 HG2 LYS 48 4.196 13.249 -24.183 352 HG3 LYS 48 HG3 LYS 48 5.038 12.730 -22.720 353 HD2 LYS 48 HD2 LYS 48 5.115 10.412 -23.551 354 HD3 LYS 48 HD3 LYS 48 4.185 10.866 -24.978 355 HE2 LYS 48 HE2 LYS 48 6.942 11.942 -24.302 356 HE3 LYS 48 HE3 LYS 48 6.624 10.620 -25.424 357 HZ1 LYS 48 HZ1 LYS 48 5.373 12.113 -26.807 358 HZ2 LYS 48 HZ2 LYS 48 6.919 12.733 -26.551 359 HZ3 LYS 48 HZ3 LYS 48 5.600 13.385 -25.728 360 H ALA 49 H ALA 49 2.091 11.749 -19.566 361 HA ALA 49 HA ALA 49 4.389 12.552 -18.169 362 HB1 ALA 49 HB1 ALA 49 1.804 11.469 -16.987 363 HB2 ALA 49 HB2 ALA 49 2.106 13.147 -17.435 364 HB3 ALA 49 HB3 ALA 49 3.029 12.409 -16.125 365 H LEU 50 H LEU 50 2.698 9.416 -18.248 366 HA LEU 50 HA LEU 50 4.490 8.022 -16.525 367 HB2 LEU 50 HB2 LEU 50 2.270 7.196 -18.383 368 HB3 LEU 50 HB3 LEU 50 3.409 5.952 -17.907 369 HG LEU 50 HG LEU 50 1.489 5.822 -16.452 370 HD11 LEU 50 HD11 LEU 50 3.667 5.356 -15.417 371 HD12 LEU 50 HD12 LEU 50 2.526 6.012 -14.248 372 HD13 LEU 50 HD13 LEU 50 3.799 7.042 -14.906 373 HD21 LEU 50 HD21 LEU 50 1.937 8.732 -15.723 374 HD22 LEU 50 HD22 LEU 50 0.743 7.650 -15.001 375 HD23 LEU 50 HD23 LEU 50 0.612 8.094 -16.700 376 H GLU 51 H GLU 51 4.425 8.461 -20.062 377 HA GLU 51 HA GLU 51 6.430 6.586 -20.746 378 HB2 GLU 51 HB2 GLU 51 5.641 9.179 -22.125 379 HB3 GLU 51 HB3 GLU 51 6.722 7.990 -22.834 380 HG2 GLU 51 HG2 GLU 51 3.816 7.545 -22.120 381 HG3 GLU 51 HG3 GLU 51 4.451 7.798 -23.743 382 H LEU 52 H LEU 52 6.660 10.090 -20.266 383 HA LEU 52 HA LEU 52 9.479 10.303 -20.443 384 HB2 LEU 52 HB2 LEU 52 7.492 12.161 -19.081 385 HB3 LEU 52 HB3 LEU 52 9.148 12.569 -19.499 386 HG LEU 52 HG LEU 52 6.933 11.961 -21.494 387 HD11 LEU 52 HD11 LEU 52 8.225 14.613 -20.783 388 HD12 LEU 52 HD12 LEU 52 6.589 14.107 -20.354 389 HD13 LEU 52 HD13 LEU 52 7.019 14.351 -22.045 390 HD21 LEU 52 HD21 LEU 52 9.117 11.261 -22.371 391 HD22 LEU 52 HD22 LEU 52 9.788 12.853 -22.012 392 HD23 LEU 52 HD23 LEU 52 8.521 12.683 -23.226 393 H TYR 53 H TYR 53 7.322 9.536 -17.806 394 HA TYR 53 HA TYR 53 9.112 9.996 -15.651 395 HB2 TYR 53 HB2 TYR 53 6.704 9.846 -15.247 396 HB3 TYR 53 HB3 TYR 53 6.665 8.185 -15.834 397 HD1 TYR 53 HD1 TYR 53 8.424 10.264 -13.211 398 HD2 TYR 53 HD2 TYR 53 6.678 6.476 -14.186 399 HE1 TYR 53 HE1 TYR 53 8.878 9.465 -10.945 400 HE2 TYR 53 HE2 TYR 53 7.152 5.691 -11.908 401 HH TYR 53 HH TYR 53 8.676 6.211 -10.081 402 H LYS 54 H LYS 54 8.245 7.009 -17.438 403 HA LYS 54 HA LYS 54 9.822 5.323 -15.753 404 HB2 LYS 54 HB2 LYS 54 9.182 3.493 -17.168 405 HB3 LYS 54 HB3 LYS 54 7.777 4.534 -16.991 406 HG2 LYS 54 HG2 LYS 54 8.131 5.442 -19.239 407 HG3 LYS 54 HG3 LYS 54 9.609 4.493 -19.413 408 HD2 LYS 54 HD2 LYS 54 8.167 2.398 -19.104 409 HD3 LYS 54 HD3 LYS 54 6.752 3.447 -19.243 410 HE2 LYS 54 HE2 LYS 54 8.903 3.055 -21.355 411 HE3 LYS 54 HE3 LYS 54 7.273 2.386 -21.400 412 HZ1 LYS 54 HZ1 LYS 54 6.399 4.630 -21.460 413 HZ2 LYS 54 HZ2 LYS 54 7.432 4.337 -22.764 414 HZ3 LYS 54 HZ3 LYS 54 7.967 5.260 -21.455 415 H ILE 55 H ILE 55 10.369 6.894 -18.878 416 HA ILE 55 HA ILE 55 12.974 5.643 -19.279 417 HB ILE 55 HB ILE 55 13.159 6.968 -21.313 418 HG12 ILE 55 HG12 ILE 55 10.657 8.483 -20.421 419 HG13 ILE 55 HG13 ILE 55 12.280 9.153 -20.510 420 HG21 ILE 55 HG21 ILE 55 10.299 5.935 -21.041 421 HG22 ILE 55 HG22 ILE 55 11.716 4.955 -21.431 422 HG23 ILE 55 HG23 ILE 55 11.165 6.190 -22.561 423 HD11 ILE 55 HD11 ILE 55 10.596 8.231 -22.841 424 HD12 ILE 55 HD12 ILE 55 12.246 8.851 -22.955 425 HD13 ILE 55 HD13 ILE 55 10.949 9.895 -22.375 426 H ASN 56 H ASN 56 11.726 8.312 -17.549 427 HA ASN 56 HA ASN 56 12.515 10.107 -16.464 428 HB2 ASN 56 HB2 ASN 56 15.080 8.471 -16.445 429 HB3 ASN 56 HB3 ASN 56 14.842 9.918 -15.476 430 HD21 ASN 56 HD21 ASN 56 13.920 6.560 -15.896 431 HD22 ASN 56 HD22 ASN 56 13.178 6.375 -14.345 432 H ALA 57 H ALA 57 12.104 11.052 -18.623 433 HA ALA 57 HA ALA 57 14.329 11.873 -20.288 434 HB1 ALA 57 HB1 ALA 57 11.380 12.617 -20.394 435 HB2 ALA 57 HB2 ALA 57 12.141 11.288 -21.270 436 HB3 ALA 57 HB3 ALA 57 12.583 12.951 -21.646 437 H LYS 58 H LYS 58 13.625 14.442 -21.012 438 HA LYS 58 HA LYS 58 14.828 16.041 -18.989 439 HB2 LYS 58 HB2 LYS 58 13.411 16.953 -21.532 440 HB3 LYS 58 HB3 LYS 58 14.549 17.897 -20.574 441 HG2 LYS 58 HG2 LYS 58 16.356 16.287 -21.146 442 HG3 LYS 58 HG3 LYS 58 15.205 15.366 -22.118 443 HD2 LYS 58 HD2 LYS 58 16.517 16.767 -23.603 444 HD3 LYS 58 HD3 LYS 58 14.862 17.379 -23.569 445 HE2 LYS 58 HE2 LYS 58 16.422 19.245 -23.491 446 HE3 LYS 58 HE3 LYS 58 15.587 19.132 -21.941 447 HZ1 LYS 58 HZ1 LYS 58 17.519 18.018 -21.019 448 HZ2 LYS 58 HZ2 LYS 58 17.955 19.515 -21.665 449 HZ3 LYS 58 HZ3 LYS 58 18.315 18.099 -22.509 450 H LEU 59 H LEU 59 13.546 16.041 -17.148 451 HA LEU 59 HA LEU 59 10.858 17.207 -17.234 452 HB2 LEU 59 HB2 LEU 59 11.285 15.351 -15.664 453 HB3 LEU 59 HB3 LEU 59 12.579 16.256 -14.900 454 HG LEU 59 HG LEU 59 10.929 17.923 -14.051 455 HD11 LEU 59 HD11 LEU 59 8.789 16.151 -15.276 456 HD12 LEU 59 HD12 LEU 59 9.226 17.773 -15.814 457 HD13 LEU 59 HD13 LEU 59 8.510 17.541 -14.222 458 HD21 LEU 59 HD21 LEU 59 9.850 16.514 -12.353 459 HD22 LEU 59 HD22 LEU 59 11.513 16.002 -12.623 460 HD23 LEU 59 HD23 LEU 59 10.183 15.069 -13.312 461 H CYS 60 H CYS 60 10.420 19.255 -16.616 462 HA CYS 60 HA CYS 60 12.603 21.133 -16.055 463 HB2 CYS 60 HB2 CYS 60 9.642 21.636 -16.546 464 HB3 CYS 60 HB3 CYS 60 10.901 22.863 -16.426 465 H ASP 61 H ASP 61 13.121 20.896 -13.917 466 HA ASP 61 HA ASP 61 11.209 20.490 -11.808 467 HB2 ASP 61 HB2 ASP 61 13.130 20.779 -10.276 468 HB3 ASP 61 HB3 ASP 61 13.521 19.658 -11.570 469 HA PRO 62 HA PRO 62 10.358 24.913 -11.192 470 HB2 PRO 62 HB2 PRO 62 8.953 24.781 -8.849 471 HB3 PRO 62 HB3 PRO 62 8.255 24.266 -10.387 472 HG2 PRO 62 HG2 PRO 62 9.426 22.594 -8.177 473 HG3 PRO 62 HG3 PRO 62 7.975 22.294 -9.158 474 HD2 PRO 62 HD2 PRO 62 10.430 21.102 -9.627 475 HD3 PRO 62 HD3 PRO 62 9.204 21.349 -10.889 476 H HIS 63 H HIS 63 12.275 25.920 -10.782 477 HA HIS 63 HA HIS 63 13.426 25.825 -8.041 478 HB2 HIS 63 HB2 HIS 63 14.892 24.663 -9.748 479 HB3 HIS 63 HB3 HIS 63 15.024 26.184 -10.624 480 HD1 HIS 63 HD1 HIS 63 16.229 24.441 -7.541 481 HD2 HIS 63 HD2 HIS 63 16.739 28.109 -9.425 482 HE1 HIS 63 HE1 HIS 63 18.212 25.500 -6.434 483 HE2 HIS 63 HE2 HIS 63 18.445 27.755 -7.526 484 HA PRO 64 HA PRO 64 12.090 30.204 -8.775 485 HB2 PRO 64 HB2 PRO 64 12.157 30.240 -5.771 486 HB3 PRO 64 HB3 PRO 64 10.862 30.735 -6.874 487 HG2 PRO 64 HG2 PRO 64 10.650 28.463 -5.461 488 HG3 PRO 64 HG3 PRO 64 10.067 28.545 -7.140 489 HD2 PRO 64 HD2 PRO 64 12.673 27.402 -6.092 490 HD3 PRO 64 HD3 PRO 64 11.529 26.696 -7.259 Start of MODEL 2 1 H MET 1 H MET 1 12.193 3.561 -3.553 2 HA MET 1 HA MET 1 10.106 1.940 -4.891 3 HB2 MET 1 HB2 MET 1 11.439 1.578 -2.163 4 HB3 MET 1 HB3 MET 1 10.080 0.625 -2.756 5 HG2 MET 1 HG2 MET 1 11.516 -0.188 -4.626 6 HG3 MET 1 HG3 MET 1 12.875 0.690 -3.924 7 HE1 MET 1 HE1 MET 1 13.770 -3.057 -3.159 8 HE2 MET 1 HE2 MET 1 14.314 -1.562 -3.917 9 HE3 MET 1 HE3 MET 1 12.956 -2.461 -4.604 10 H LYS 2 H LYS 2 10.642 4.882 -3.567 11 HA LYS 2 HA LYS 2 8.369 5.180 -1.829 12 HB2 LYS 2 HB2 LYS 2 9.976 7.285 -3.348 13 HB3 LYS 2 HB3 LYS 2 8.814 7.616 -2.065 14 HG2 LYS 2 HG2 LYS 2 10.237 6.508 -0.421 15 HG3 LYS 2 HG3 LYS 2 11.350 5.991 -1.689 16 HD2 LYS 2 HD2 LYS 2 12.295 7.913 -0.527 17 HD3 LYS 2 HD3 LYS 2 11.898 8.359 -2.187 18 HE2 LYS 2 HE2 LYS 2 11.268 10.166 -0.681 19 HE3 LYS 2 HE3 LYS 2 9.806 9.447 -1.357 20 HZ1 LYS 2 HZ1 LYS 2 9.525 9.827 0.972 21 HZ2 LYS 2 HZ2 LYS 2 10.921 8.958 1.354 22 HZ3 LYS 2 HZ3 LYS 2 9.579 8.161 0.712 23 H ARG 3 H ARG 3 6.457 4.651 -2.732 24 HA ARG 3 HA ARG 3 5.702 5.121 -5.450 25 HB2 ARG 3 HB2 ARG 3 4.774 3.276 -4.019 26 HB3 ARG 3 HB3 ARG 3 3.909 4.470 -3.060 27 HG2 ARG 3 HG2 ARG 3 2.415 3.377 -4.680 28 HG3 ARG 3 HG3 ARG 3 2.558 5.101 -5.023 29 HD2 ARG 3 HD2 ARG 3 4.179 4.605 -6.825 30 HD3 ARG 3 HD3 ARG 3 4.031 2.879 -6.476 31 HE ARG 3 HE ARG 3 1.464 3.734 -6.976 32 HH11 ARG 3 HH11 ARG 3 4.476 3.719 -8.796 33 HH12 ARG 3 HH12 ARG 3 3.679 3.562 -10.327 34 HH21 ARG 3 HH21 ARG 3 0.460 3.526 -9.014 35 HH22 ARG 3 HH22 ARG 3 1.432 3.452 -10.451 36 H ALA 4 H ALA 4 5.352 6.929 -2.470 37 HA ALA 4 HA ALA 4 3.567 8.958 -3.256 38 HB1 ALA 4 HB1 ALA 4 5.942 9.143 -1.357 39 HB2 ALA 4 HB2 ALA 4 4.308 8.635 -0.927 40 HB3 ALA 4 HB3 ALA 4 4.602 10.292 -1.454 41 H ALA 5 H ALA 5 7.124 8.738 -3.510 42 HA ALA 5 HA ALA 5 7.616 11.211 -4.801 43 HB1 ALA 5 HB1 ALA 5 9.384 9.920 -3.675 44 HB2 ALA 5 HB2 ALA 5 9.825 10.279 -5.345 45 HB3 ALA 5 HB3 ALA 5 9.267 8.663 -4.907 46 H ALA 6 H ALA 6 6.908 7.968 -6.029 47 HA ALA 6 HA ALA 6 7.282 8.332 -8.781 48 HB1 ALA 6 HB1 ALA 6 5.221 6.577 -7.394 49 HB2 ALA 6 HB2 ALA 6 6.890 6.128 -7.748 50 HB3 ALA 6 HB3 ALA 6 5.758 6.418 -9.070 51 H LYS 7 H LYS 7 4.381 8.836 -6.780 52 HA LYS 7 HA LYS 7 2.690 9.793 -8.870 53 HB2 LYS 7 HB2 LYS 7 2.482 10.028 -5.842 54 HB3 LYS 7 HB3 LYS 7 1.224 10.591 -6.943 55 HG2 LYS 7 HG2 LYS 7 2.190 7.726 -6.656 56 HG3 LYS 7 HG3 LYS 7 0.678 8.388 -6.023 57 HD2 LYS 7 HD2 LYS 7 -0.028 8.902 -8.383 58 HD3 LYS 7 HD3 LYS 7 1.440 8.105 -8.965 59 HE2 LYS 7 HE2 LYS 7 -0.459 6.580 -9.103 60 HE3 LYS 7 HE3 LYS 7 0.691 5.993 -7.904 61 HZ1 LYS 7 HZ1 LYS 7 -0.720 6.938 -6.165 62 HZ2 LYS 7 HZ2 LYS 7 -1.575 5.827 -7.111 63 HZ3 LYS 7 HZ3 LYS 7 -1.816 7.480 -7.333 64 H HIS 8 H HIS 8 4.964 11.396 -6.714 65 HA HIS 8 HA HIS 8 4.124 14.091 -7.213 66 HB2 HIS 8 HB2 HIS 8 6.827 13.008 -6.301 67 HB3 HIS 8 HB3 HIS 8 6.404 14.719 -6.338 68 HD1 HIS 8 HD1 HIS 8 7.165 12.979 -3.744 69 HD2 HIS 8 HD2 HIS 8 3.355 14.188 -4.889 70 HE1 HIS 8 HE1 HIS 8 5.797 12.993 -1.643 71 HE2 HIS 8 HE2 HIS 8 3.525 13.814 -2.342 72 H LEU 9 H LEU 9 6.287 11.850 -8.836 73 HA LEU 9 HA LEU 9 7.378 13.749 -10.703 74 HB2 LEU 9 HB2 LEU 9 7.597 10.801 -10.219 75 HB3 LEU 9 HB3 LEU 9 7.866 11.297 -11.876 76 HG LEU 9 HG LEU 9 9.966 11.068 -10.515 77 HD11 LEU 9 HD11 LEU 9 9.928 12.428 -12.541 78 HD12 LEU 9 HD12 LEU 9 11.019 13.115 -11.340 79 HD13 LEU 9 HD13 LEU 9 9.432 13.845 -11.607 80 HD21 LEU 9 HD21 LEU 9 10.560 12.766 -8.873 81 HD22 LEU 9 HD22 LEU 9 9.101 11.922 -8.361 82 HD23 LEU 9 HD23 LEU 9 8.984 13.546 -9.057 83 H ILE 10 H ILE 10 4.836 11.247 -10.868 84 HA ILE 10 HA ILE 10 4.052 11.611 -13.551 85 HB ILE 10 HB ILE 10 2.328 10.749 -11.178 86 HG12 ILE 10 HG12 ILE 10 3.781 8.984 -13.225 87 HG13 ILE 10 HG13 ILE 10 4.378 9.322 -11.605 88 HG21 ILE 10 HG21 ILE 10 0.824 9.690 -12.853 89 HG22 ILE 10 HG22 ILE 10 1.799 10.369 -14.161 90 HG23 ILE 10 HG23 ILE 10 0.911 11.437 -13.073 91 HD11 ILE 10 HD11 ILE 10 1.816 7.870 -12.265 92 HD12 ILE 10 HD12 ILE 10 2.436 8.196 -10.642 93 HD13 ILE 10 HD13 ILE 10 3.332 7.143 -11.735 94 H GLU 11 H GLU 11 3.048 13.188 -10.564 95 HA GLU 11 HA GLU 11 1.114 15.012 -11.406 96 HB2 GLU 11 HB2 GLU 11 1.325 14.847 -9.081 97 HB3 GLU 11 HB3 GLU 11 3.074 14.787 -9.134 98 HG2 GLU 11 HG2 GLU 11 2.364 16.765 -7.967 99 HG3 GLU 11 HG3 GLU 11 3.154 17.230 -9.471 100 H ARG 12 H ARG 12 4.671 15.354 -11.298 101 HA ARG 12 HA ARG 12 4.654 18.086 -12.185 102 HB2 ARG 12 HB2 ARG 12 6.888 16.110 -11.635 103 HB3 ARG 12 HB3 ARG 12 7.224 17.697 -12.311 104 HG2 ARG 12 HG2 ARG 12 5.811 18.570 -10.256 105 HG3 ARG 12 HG3 ARG 12 6.169 16.988 -9.581 106 HD2 ARG 12 HD2 ARG 12 8.251 18.984 -10.521 107 HD3 ARG 12 HD3 ARG 12 7.758 18.757 -8.841 108 HE ARG 12 HE ARG 12 9.384 16.957 -10.478 109 HH11 ARG 12 HH11 ARG 12 7.700 17.342 -7.420 110 HH12 ARG 12 HH12 ARG 12 8.738 16.244 -6.579 111 HH21 ARG 12 HH21 ARG 12 10.741 15.543 -9.347 112 HH22 ARG 12 HH22 ARG 12 10.449 15.227 -7.671 113 H TYR 13 H TYR 13 5.085 14.995 -13.833 114 HA TYR 13 HA TYR 13 5.933 16.156 -16.332 115 HB2 TYR 13 HB2 TYR 13 5.090 13.364 -15.513 116 HB3 TYR 13 HB3 TYR 13 5.251 13.758 -17.219 117 HD1 TYR 13 HD1 TYR 13 7.576 14.931 -17.867 118 HD2 TYR 13 HD2 TYR 13 6.996 12.462 -14.423 119 HE1 TYR 13 HE1 TYR 13 9.986 14.481 -17.776 120 HE2 TYR 13 HE2 TYR 13 9.401 12.019 -14.340 121 HH TYR 13 HH TYR 13 11.319 12.031 -15.897 122 H TYR 14 H TYR 14 2.876 15.023 -14.970 123 HA TYR 14 HA TYR 14 1.171 15.250 -17.176 124 HB2 TYR 14 HB2 TYR 14 0.414 14.126 -15.177 125 HB3 TYR 14 HB3 TYR 14 0.686 15.553 -14.190 126 HD1 TYR 14 HD1 TYR 14 -1.457 14.313 -17.023 127 HD2 TYR 14 HD2 TYR 14 -1.137 16.989 -13.708 128 HE1 TYR 14 HE1 TYR 14 -3.814 14.936 -17.287 129 HE2 TYR 14 HE2 TYR 14 -3.494 17.612 -13.977 130 HH TYR 14 HH TYR 14 -5.210 17.620 -15.728 131 H HIS 15 H HIS 15 1.880 17.622 -14.617 132 HA HIS 15 HA HIS 15 0.402 19.752 -15.875 133 HB2 HIS 15 HB2 HIS 15 2.101 19.629 -13.364 134 HB3 HIS 15 HB3 HIS 15 1.460 21.155 -13.972 135 HD1 HIS 15 HD1 HIS 15 0.534 18.313 -11.900 136 HD2 HIS 15 HD2 HIS 15 -1.467 21.156 -14.161 137 HE1 HIS 15 HE1 HIS 15 -1.844 18.262 -11.105 138 HE2 HIS 15 HE2 HIS 15 -2.982 20.113 -12.373 139 H GLN 16 H GLN 16 3.714 18.667 -16.016 140 HA GLN 16 HA GLN 16 4.891 20.946 -17.218 141 HB2 GLN 16 HB2 GLN 16 6.310 19.105 -16.529 142 HB3 GLN 16 HB3 GLN 16 5.433 17.969 -17.542 143 HG2 GLN 16 HG2 GLN 16 6.324 19.117 -19.559 144 HG3 GLN 16 HG3 GLN 16 7.252 20.192 -18.514 145 HE21 GLN 16 HE21 GLN 16 6.946 16.885 -19.668 146 HE22 GLN 16 HE22 GLN 16 8.520 16.372 -19.177 147 H LEU 17 H LEU 17 2.821 18.405 -18.481 148 HA LEU 17 HA LEU 17 3.171 19.207 -21.277 149 HB2 LEU 17 HB2 LEU 17 1.516 17.017 -19.969 150 HB3 LEU 17 HB3 LEU 17 1.716 17.227 -21.702 151 HG LEU 17 HG LEU 17 4.047 16.704 -19.819 152 HD11 LEU 17 HD11 LEU 17 4.021 14.365 -20.578 153 HD12 LEU 17 HD12 LEU 17 2.521 14.667 -21.459 154 HD13 LEU 17 HD13 LEU 17 2.552 14.788 -19.699 155 HD21 LEU 17 HD21 LEU 17 4.698 17.778 -21.925 156 HD22 LEU 17 HD22 LEU 17 3.875 16.515 -22.845 157 HD23 LEU 17 HD23 LEU 17 5.284 16.118 -21.859 158 H THR 18 H THR 18 0.570 19.262 -18.819 159 HA THR 18 HA THR 18 -1.443 20.284 -20.621 160 HB THR 18 HB THR 18 -2.798 20.613 -18.490 161 HG1 THR 18 HG1 THR 18 -1.834 19.583 -16.596 162 HG21 THR 18 HG21 THR 18 -3.100 18.215 -18.007 163 HG22 THR 18 HG22 THR 18 -1.591 17.844 -18.842 164 HG23 THR 18 HG23 THR 18 -2.963 18.490 -19.746 165 H GLU 19 H GLU 19 0.366 21.672 -17.851 166 HA GLU 19 HA GLU 19 -0.621 24.384 -18.423 167 HB2 GLU 19 HB2 GLU 19 1.264 23.518 -16.182 168 HB3 GLU 19 HB3 GLU 19 0.303 24.990 -16.260 169 HG2 GLU 19 HG2 GLU 19 -0.730 22.169 -15.885 170 HG3 GLU 19 HG3 GLU 19 -0.633 23.420 -14.649 171 H GLY 20 H GLY 20 2.433 22.646 -18.067 172 HA2 GLY 20 HA2 GLY 20 4.452 22.969 -19.182 173 HA3 GLY 20 HA3 GLY 20 3.914 24.560 -19.695 174 H CYS 21 H CYS 21 4.884 26.167 -18.738 175 HA CYS 21 HA CYS 21 5.407 26.214 -15.860 176 HB2 CYS 21 HB2 CYS 21 7.874 26.817 -16.307 177 HB3 CYS 21 HB3 CYS 21 7.429 25.127 -16.581 178 H GLY 22 H GLY 22 4.423 27.819 -18.619 179 HA2 GLY 22 HA2 GLY 22 3.822 30.014 -18.963 180 HA3 GLY 22 HA3 GLY 22 4.485 30.427 -17.392 181 H ASN 23 H ASN 23 7.149 29.306 -18.106 182 HA ASN 23 HA ASN 23 8.304 31.750 -18.890 183 HB2 ASN 23 HB2 ASN 23 9.204 30.099 -17.172 184 HB3 ASN 23 HB3 ASN 23 9.712 29.081 -18.516 185 HD21 ASN 23 HD21 ASN 23 11.488 29.708 -19.726 186 HD22 ASN 23 HD22 ASN 23 12.555 30.972 -19.243 187 H GLU 24 H GLU 24 8.865 32.410 -20.859 188 HA GLU 24 HA GLU 24 8.324 30.996 -23.247 189 HB2 GLU 24 HB2 GLU 24 8.223 33.481 -22.985 190 HB3 GLU 24 HB3 GLU 24 9.976 33.529 -22.807 191 HG2 GLU 24 HG2 GLU 24 10.203 32.627 -25.128 192 HG3 GLU 24 HG3 GLU 24 8.446 32.694 -25.300 193 H ALA 25 H ALA 25 11.333 31.682 -21.518 194 HA ALA 25 HA ALA 25 13.066 30.424 -23.465 195 HB1 ALA 25 HB1 ALA 25 14.873 30.945 -21.876 196 HB2 ALA 25 HB2 ALA 25 13.682 31.445 -20.672 197 HB3 ALA 25 HB3 ALA 25 13.858 32.359 -22.170 198 H CYS 26 H CYS 26 11.726 28.432 -23.387 199 HA CYS 26 HA CYS 26 12.909 26.499 -21.501 200 HB2 CYS 26 HB2 CYS 26 10.556 27.059 -20.783 201 HB3 CYS 26 HB3 CYS 26 9.973 26.470 -22.341 202 H THR 27 H THR 27 14.158 25.266 -22.747 203 HA THR 27 HA THR 27 13.788 25.063 -25.625 204 HB THR 27 HB THR 27 16.056 23.939 -25.512 205 HG1 THR 27 HG1 THR 27 17.073 24.268 -23.332 206 HG21 THR 27 HG21 THR 27 17.320 25.953 -24.871 207 HG22 THR 27 HG22 THR 27 15.893 26.615 -24.072 208 HG23 THR 27 HG23 THR 27 15.900 26.394 -25.822 209 H ASN 28 H ASN 28 12.674 23.179 -23.073 210 HA ASN 28 HA ASN 28 13.088 20.558 -24.255 211 HB2 ASN 28 HB2 ASN 28 13.060 20.747 -21.813 212 HB3 ASN 28 HB3 ASN 28 11.443 21.442 -21.853 213 HD21 ASN 28 HD21 ASN 28 10.648 19.807 -20.487 214 HD22 ASN 28 HD22 ASN 28 10.391 18.187 -21.034 215 H GLU 29 H GLU 29 11.965 20.021 -25.978 216 HA GLU 29 HA GLU 29 9.503 21.083 -26.878 217 HB2 GLU 29 HB2 GLU 29 9.507 19.314 -28.570 218 HB3 GLU 29 HB3 GLU 29 11.095 20.053 -28.441 219 HG2 GLU 29 HG2 GLU 29 10.401 17.416 -27.101 220 HG3 GLU 29 HG3 GLU 29 11.011 17.518 -28.749 221 H PHE 30 H PHE 30 10.196 18.505 -24.630 222 HA PHE 30 HA PHE 30 7.466 17.433 -24.636 223 HB2 PHE 30 HB2 PHE 30 9.923 16.769 -22.953 224 HB3 PHE 30 HB3 PHE 30 8.364 15.972 -22.755 225 HD1 PHE 30 HD1 PHE 30 7.352 14.801 -24.856 226 HD2 PHE 30 HD2 PHE 30 11.484 15.888 -24.521 227 HE1 PHE 30 HE1 PHE 30 7.932 13.186 -26.620 228 HE2 PHE 30 HE2 PHE 30 12.046 14.261 -26.277 229 HZ PHE 30 HZ PHE 30 10.275 12.912 -27.329 230 H CYS 31 H CYS 31 7.950 20.282 -23.901 231 HA CYS 31 HA CYS 31 6.457 20.279 -21.354 232 HB2 CYS 31 HB2 CYS 31 8.832 20.852 -20.828 233 HB3 CYS 31 HB3 CYS 31 8.771 22.160 -21.993 234 H ALA 32 H ALA 32 4.781 21.737 -21.377 235 HA ALA 32 HA ALA 32 4.156 23.251 -23.730 236 HB1 ALA 32 HB1 ALA 32 2.164 23.987 -22.447 237 HB2 ALA 32 HB2 ALA 32 2.810 23.212 -21.005 238 HB3 ALA 32 HB3 ALA 32 2.361 22.234 -22.395 239 H SER 33 H SER 33 3.598 25.618 -23.495 240 HA SER 33 HA SER 33 4.326 27.747 -23.407 241 HB2 SER 33 HB2 SER 33 6.145 27.057 -21.062 242 HB3 SER 33 HB3 SER 33 5.545 28.651 -21.515 243 HG SER 33 HG SER 33 3.374 27.590 -21.137 244 H CYS 34 H CYS 34 6.093 25.168 -24.302 245 HA CYS 34 HA CYS 34 8.469 26.650 -25.199 246 HB2 CYS 34 HB2 CYS 34 7.829 23.670 -25.365 247 HB3 CYS 34 HB3 CYS 34 9.373 24.427 -25.764 248 HG CYS 34 HG CYS 34 10.216 23.704 -23.452 249 HA PRO 35 HA PRO 35 6.700 27.331 -29.312 250 HB2 PRO 35 HB2 PRO 35 9.516 26.882 -30.299 251 HB3 PRO 35 HB3 PRO 35 8.429 28.253 -30.576 252 HG2 PRO 35 HG2 PRO 35 10.481 28.462 -28.865 253 HG3 PRO 35 HG3 PRO 35 8.919 29.226 -28.511 254 HD2 PRO 35 HD2 PRO 35 10.088 26.695 -27.377 255 HD3 PRO 35 HD3 PRO 35 9.144 27.963 -26.565 256 H THR 36 H THR 36 8.966 24.644 -28.850 257 HA THR 36 HA THR 36 8.189 23.276 -31.313 258 HB THR 36 HB THR 36 10.040 21.702 -30.634 259 HG1 THR 36 HG1 THR 36 11.313 22.379 -28.826 260 HG21 THR 36 HG21 THR 36 10.798 24.652 -30.653 261 HG22 THR 36 HG22 THR 36 10.572 23.631 -32.078 262 HG23 THR 36 HG23 THR 36 11.901 23.307 -30.962 263 H PHE 37 H PHE 37 6.652 23.404 -28.481 264 HA PHE 37 HA PHE 37 6.294 20.590 -27.881 265 HB2 PHE 37 HB2 PHE 37 6.241 22.228 -26.059 266 HB3 PHE 37 HB3 PHE 37 4.887 23.060 -26.810 267 HD1 PHE 37 HD1 PHE 37 5.779 19.603 -25.606 268 HD2 PHE 37 HD2 PHE 37 2.746 22.593 -25.930 269 HE1 PHE 37 HE1 PHE 37 4.258 18.197 -24.300 270 HE2 PHE 37 HE2 PHE 37 1.232 21.178 -24.621 271 HZ PHE 37 HZ PHE 37 1.979 18.984 -23.799 272 H LEU 38 H LEU 38 4.650 19.313 -28.498 273 HA LEU 38 HA LEU 38 2.472 20.376 -30.189 274 HB2 LEU 38 HB2 LEU 38 3.858 18.402 -30.980 275 HB3 LEU 38 HB3 LEU 38 3.252 17.477 -29.614 276 HG LEU 38 HG LEU 38 0.929 17.695 -30.511 277 HD11 LEU 38 HD11 LEU 38 2.229 19.061 -32.893 278 HD12 LEU 38 HD12 LEU 38 1.135 19.807 -31.726 279 HD13 LEU 38 HD13 LEU 38 0.544 18.539 -32.794 280 HD21 LEU 38 HD21 LEU 38 1.188 16.147 -32.423 281 HD22 LEU 38 HD22 LEU 38 2.228 15.693 -31.079 282 HD23 LEU 38 HD23 LEU 38 2.917 16.501 -32.488 283 H ARG 39 H ARG 39 0.583 20.761 -29.198 284 HA ARG 39 HA ARG 39 0.275 20.612 -26.434 285 HB2 ARG 39 HB2 ARG 39 -1.665 21.218 -28.670 286 HB3 ARG 39 HB3 ARG 39 -2.239 21.128 -27.011 287 HG2 ARG 39 HG2 ARG 39 -0.115 23.027 -28.041 288 HG3 ARG 39 HG3 ARG 39 -1.797 23.432 -27.685 289 HD2 ARG 39 HD2 ARG 39 0.379 22.623 -25.733 290 HD3 ARG 39 HD3 ARG 39 -0.513 24.147 -25.796 291 HE ARG 39 HE ARG 39 -2.434 22.207 -25.377 292 HH11 ARG 39 HH11 ARG 39 0.358 23.404 -23.604 293 HH12 ARG 39 HH12 ARG 39 -0.229 22.832 -22.074 294 HH21 ARG 39 HH21 ARG 39 -3.170 21.432 -23.365 295 HH22 ARG 39 HH22 ARG 39 -2.229 21.727 -21.938 296 H MET 40 H MET 40 -0.308 19.088 -25.092 297 HA MET 40 HA MET 40 -2.245 17.008 -25.885 298 HB2 MET 40 HB2 MET 40 -0.972 15.313 -24.554 299 HB3 MET 40 HB3 MET 40 -0.081 15.891 -25.954 300 HG2 MET 40 HG2 MET 40 1.218 17.398 -24.446 301 HG3 MET 40 HG3 MET 40 0.386 16.675 -23.069 302 HE1 MET 40 HE1 MET 40 3.298 14.392 -25.837 303 HE2 MET 40 HE2 MET 40 2.961 16.116 -25.985 304 HE3 MET 40 HE3 MET 40 1.712 14.933 -26.386 305 H ASP 41 H ASP 41 -3.946 17.145 -24.626 306 HA ASP 41 HA ASP 41 -3.885 18.657 -22.120 307 HB2 ASP 41 HB2 ASP 41 -6.169 17.638 -23.862 308 HB3 ASP 41 HB3 ASP 41 -6.421 18.467 -22.332 309 H ASN 42 H ASN 42 -6.030 17.545 -20.762 310 HA ASN 42 HA ASN 42 -4.566 16.314 -18.869 311 HB2 ASN 42 HB2 ASN 42 -6.654 15.812 -17.696 312 HB3 ASN 42 HB3 ASN 42 -6.718 17.394 -18.455 313 HD21 ASN 42 HD21 ASN 42 -8.006 17.614 -20.404 314 HD22 ASN 42 HD22 ASN 42 -9.325 16.538 -20.692 315 H ASN 43 H ASN 43 -6.643 14.420 -21.168 316 HA ASN 43 HA ASN 43 -6.048 11.882 -19.950 317 HB2 ASN 43 HB2 ASN 43 -7.179 12.518 -22.720 318 HB3 ASN 43 HB3 ASN 43 -7.111 10.903 -22.013 319 HD21 ASN 43 HD21 ASN 43 -8.403 10.483 -20.134 320 HD22 ASN 43 HD22 ASN 43 -9.844 11.391 -19.840 321 H ALA 44 H ALA 44 -4.914 13.539 -22.892 322 HA ALA 44 HA ALA 44 -3.125 11.525 -23.820 323 HB1 ALA 44 HB1 ALA 44 -4.072 13.248 -25.282 324 HB2 ALA 44 HB2 ALA 44 -2.309 13.310 -25.328 325 HB3 ALA 44 HB3 ALA 44 -3.210 14.508 -24.394 326 H ALA 45 H ALA 45 -2.791 14.118 -21.532 327 HA ALA 45 HA ALA 45 0.122 14.181 -21.508 328 HB1 ALA 45 HB1 ALA 45 -1.913 15.705 -19.841 329 HB2 ALA 45 HB2 ALA 45 -1.135 16.282 -21.318 330 HB3 ALA 45 HB3 ALA 45 -0.171 15.992 -19.870 331 H ALA 46 H ALA 46 -2.537 12.820 -19.654 332 HA ALA 46 HA ALA 46 -1.101 12.053 -17.320 333 HB1 ALA 46 HB1 ALA 46 -3.590 10.803 -18.537 334 HB2 ALA 46 HB2 ALA 46 -3.562 12.126 -17.370 335 HB3 ALA 46 HB3 ALA 46 -2.994 10.523 -16.900 336 H ILE 47 H ILE 47 -1.972 10.343 -20.311 337 HA ILE 47 HA ILE 47 -0.619 7.913 -19.897 338 HB ILE 47 HB ILE 47 -1.165 9.365 -22.535 339 HG12 ILE 47 HG12 ILE 47 -3.251 8.975 -21.315 340 HG13 ILE 47 HG13 ILE 47 -3.181 7.869 -22.680 341 HG21 ILE 47 HG21 ILE 47 -0.973 7.148 -23.642 342 HG22 ILE 47 HG22 ILE 47 -0.478 6.426 -22.108 343 HG23 ILE 47 HG23 ILE 47 0.542 7.638 -22.885 344 HD11 ILE 47 HD11 ILE 47 -4.067 6.753 -20.735 345 HD12 ILE 47 HD12 ILE 47 -2.645 7.187 -19.787 346 HD13 ILE 47 HD13 ILE 47 -2.497 6.060 -21.139 347 H LYS 48 H LYS 48 0.426 10.913 -21.511 348 HA LYS 48 HA LYS 48 3.039 9.976 -22.194 349 HB2 LYS 48 HB2 LYS 48 1.645 11.884 -23.304 350 HB3 LYS 48 HB3 LYS 48 2.250 12.909 -22.010 351 HG2 LYS 48 HG2 LYS 48 3.679 13.266 -23.885 352 HG3 LYS 48 HG3 LYS 48 4.603 12.287 -22.742 353 HD2 LYS 48 HD2 LYS 48 4.141 10.265 -24.047 354 HD3 LYS 48 HD3 LYS 48 3.087 11.173 -25.133 355 HE2 LYS 48 HE2 LYS 48 5.082 12.545 -25.819 356 HE3 LYS 48 HE3 LYS 48 6.097 11.472 -24.848 357 HZ1 LYS 48 HZ1 LYS 48 4.390 10.639 -27.130 358 HZ2 LYS 48 HZ2 LYS 48 5.381 9.620 -26.218 359 HZ3 LYS 48 HZ3 LYS 48 6.070 10.825 -27.180 360 H ALA 49 H ALA 49 1.694 11.445 -19.310 361 HA ALA 49 HA ALA 49 4.052 12.380 -18.054 362 HB1 ALA 49 HB1 ALA 49 2.808 12.215 -15.934 363 HB2 ALA 49 HB2 ALA 49 1.556 11.256 -16.731 364 HB3 ALA 49 HB3 ALA 49 1.808 12.938 -17.196 365 H LEU 50 H LEU 50 2.385 9.237 -17.946 366 HA LEU 50 HA LEU 50 4.291 7.870 -16.336 367 HB2 LEU 50 HB2 LEU 50 2.092 6.955 -18.203 368 HB3 LEU 50 HB3 LEU 50 3.218 5.770 -17.573 369 HG LEU 50 HG LEU 50 1.190 5.755 -16.237 370 HD11 LEU 50 HD11 LEU 50 3.475 6.984 -14.668 371 HD12 LEU 50 HD12 LEU 50 3.285 5.277 -15.078 372 HD13 LEU 50 HD13 LEU 50 2.129 6.053 -14.000 373 HD21 LEU 50 HD21 LEU 50 0.442 7.679 -14.907 374 HD22 LEU 50 HD22 LEU 50 0.386 8.024 -16.633 375 HD23 LEU 50 HD23 LEU 50 1.691 8.688 -15.646 376 H GLU 51 H GLU 51 4.004 8.281 -19.843 377 HA GLU 51 HA GLU 51 6.017 6.517 -20.716 378 HB2 GLU 51 HB2 GLU 51 5.038 9.129 -21.938 379 HB3 GLU 51 HB3 GLU 51 6.052 7.966 -22.783 380 HG2 GLU 51 HG2 GLU 51 3.275 7.368 -21.723 381 HG3 GLU 51 HG3 GLU 51 3.620 7.849 -23.380 382 H LEU 52 H LEU 52 6.182 10.015 -20.074 383 HA LEU 52 HA LEU 52 8.975 10.278 -20.589 384 HB2 LEU 52 HB2 LEU 52 7.104 12.182 -19.133 385 HB3 LEU 52 HB3 LEU 52 8.721 12.572 -19.700 386 HG LEU 52 HG LEU 52 6.293 11.967 -21.432 387 HD11 LEU 52 HD11 LEU 52 7.854 14.538 -21.065 388 HD12 LEU 52 HD12 LEU 52 6.244 14.192 -20.430 389 HD13 LEU 52 HD13 LEU 52 6.497 14.295 -22.169 390 HD21 LEU 52 HD21 LEU 52 7.696 12.449 -23.395 391 HD22 LEU 52 HD22 LEU 52 8.273 11.029 -22.527 392 HD23 LEU 52 HD23 LEU 52 9.122 12.567 -22.359 393 H TYR 53 H TYR 53 7.124 9.416 -17.776 394 HA TYR 53 HA TYR 53 9.170 9.950 -15.837 395 HB2 TYR 53 HB2 TYR 53 6.829 9.849 -15.133 396 HB3 TYR 53 HB3 TYR 53 6.689 8.184 -15.689 397 HD1 TYR 53 HD1 TYR 53 9.502 9.670 -13.674 398 HD2 TYR 53 HD2 TYR 53 6.106 7.069 -13.657 399 HE1 TYR 53 HE1 TYR 53 10.134 8.856 -11.450 400 HE2 TYR 53 HE2 TYR 53 6.745 6.265 -11.432 401 HH TYR 53 HH TYR 53 8.855 6.086 -10.072 402 H LYS 54 H LYS 54 8.084 6.968 -17.542 403 HA LYS 54 HA LYS 54 9.855 5.244 -16.095 404 HB2 LYS 54 HB2 LYS 54 9.148 3.456 -17.622 405 HB3 LYS 54 HB3 LYS 54 7.762 4.371 -17.041 406 HG2 LYS 54 HG2 LYS 54 7.606 5.560 -19.174 407 HG3 LYS 54 HG3 LYS 54 9.042 4.724 -19.774 408 HD2 LYS 54 HD2 LYS 54 7.841 2.552 -19.590 409 HD3 LYS 54 HD3 LYS 54 6.403 3.396 -19.007 410 HE2 LYS 54 HE2 LYS 54 6.218 2.834 -21.401 411 HE3 LYS 54 HE3 LYS 54 6.210 4.580 -21.149 412 HZ1 LYS 54 HZ1 LYS 54 8.487 4.691 -21.820 413 HZ2 LYS 54 HZ2 LYS 54 7.616 3.867 -23.008 414 HZ3 LYS 54 HZ3 LYS 54 8.597 3.010 -21.935 415 H ILE 55 H ILE 55 10.118 6.943 -19.190 416 HA ILE 55 HA ILE 55 12.636 5.648 -19.923 417 HB ILE 55 HB ILE 55 12.651 7.103 -21.894 418 HG12 ILE 55 HG12 ILE 55 10.258 8.544 -20.647 419 HG13 ILE 55 HG13 ILE 55 11.853 9.229 -20.914 420 HG21 ILE 55 HG21 ILE 55 10.553 6.361 -22.981 421 HG22 ILE 55 HG22 ILE 55 9.857 5.991 -21.403 422 HG23 ILE 55 HG23 ILE 55 11.250 5.078 -21.989 423 HD11 ILE 55 HD11 ILE 55 9.874 8.420 -23.040 424 HD12 ILE 55 HD12 ILE 55 11.499 9.040 -23.344 425 HD13 ILE 55 HD13 ILE 55 10.301 10.057 -22.545 426 H ASN 56 H ASN 56 11.715 8.215 -17.890 427 HA ASN 56 HA ASN 56 12.711 9.911 -16.798 428 HB2 ASN 56 HB2 ASN 56 15.245 8.345 -17.445 429 HB3 ASN 56 HB3 ASN 56 15.258 9.797 -16.453 430 HD21 ASN 56 HD21 ASN 56 12.773 7.230 -16.369 431 HD22 ASN 56 HD22 ASN 56 13.123 6.739 -14.755 432 H ALA 57 H ALA 57 11.806 10.848 -18.897 433 HA ALA 57 HA ALA 57 13.647 12.103 -20.725 434 HB1 ALA 57 HB1 ALA 57 10.675 12.579 -20.306 435 HB2 ALA 57 HB2 ALA 57 11.387 11.450 -21.457 436 HB3 ALA 57 HB3 ALA 57 11.643 13.182 -21.657 437 H LYS 58 H LYS 58 13.080 14.598 -21.070 438 HA LYS 58 HA LYS 58 14.367 15.966 -18.953 439 HB2 LYS 58 HB2 LYS 58 12.941 17.036 -21.418 440 HB3 LYS 58 HB3 LYS 58 14.006 17.983 -20.384 441 HG2 LYS 58 HG2 LYS 58 14.889 15.498 -21.885 442 HG3 LYS 58 HG3 LYS 58 15.065 17.134 -22.518 443 HD2 LYS 58 HD2 LYS 58 16.356 16.063 -19.967 444 HD3 LYS 58 HD3 LYS 58 17.178 16.310 -21.511 445 HE2 LYS 58 HE2 LYS 58 15.940 18.486 -19.780 446 HE3 LYS 58 HE3 LYS 58 17.664 18.163 -19.970 447 HZ1 LYS 58 HZ1 LYS 58 17.520 18.772 -22.271 448 HZ2 LYS 58 HZ2 LYS 58 16.882 20.018 -21.333 449 HZ3 LYS 58 HZ3 LYS 58 15.847 18.985 -22.174 450 H LEU 59 H LEU 59 13.317 16.188 -17.068 451 HA LEU 59 HA LEU 59 10.551 17.097 -16.877 452 HB2 LEU 59 HB2 LEU 59 11.434 15.415 -15.268 453 HB3 LEU 59 HB3 LEU 59 12.627 16.572 -14.705 454 HG LEU 59 HG LEU 59 10.782 18.038 -13.853 455 HD11 LEU 59 HD11 LEU 59 8.983 17.386 -15.373 456 HD12 LEU 59 HD12 LEU 59 8.479 17.194 -13.698 457 HD13 LEU 59 HD13 LEU 59 8.920 15.773 -14.649 458 HD21 LEU 59 HD21 LEU 59 10.709 15.207 -12.746 459 HD22 LEU 59 HD22 LEU 59 10.167 16.662 -11.904 460 HD23 LEU 59 HD23 LEU 59 11.869 16.467 -12.312 461 H CYS 60 H CYS 60 9.939 19.189 -16.323 462 HA CYS 60 HA CYS 60 11.913 21.250 -16.873 463 HB2 CYS 60 HB2 CYS 60 9.649 21.196 -17.967 464 HB3 CYS 60 HB3 CYS 60 8.931 21.569 -16.401 465 H ASP 61 H ASP 61 11.199 19.740 -14.089 466 HA ASP 61 HA ASP 61 10.616 21.671 -12.177 467 HB2 ASP 61 HB2 ASP 61 10.666 19.244 -11.687 468 HB3 ASP 61 HB3 ASP 61 12.410 19.228 -11.910 469 HA PRO 62 HA PRO 62 14.246 24.207 -12.878 470 HB2 PRO 62 HB2 PRO 62 13.850 26.115 -10.952 471 HB3 PRO 62 HB3 PRO 62 12.883 26.032 -12.436 472 HG2 PRO 62 HG2 PRO 62 12.215 25.028 -9.669 473 HG3 PRO 62 HG3 PRO 62 11.186 25.914 -10.820 474 HD2 PRO 62 HD2 PRO 62 11.060 23.193 -10.482 475 HD3 PRO 62 HD3 PRO 62 10.689 23.977 -12.033 476 H HIS 63 H HIS 63 16.061 23.151 -12.387 477 HA HIS 63 HA HIS 63 16.871 22.546 -9.621 478 HB2 HIS 63 HB2 HIS 63 18.374 21.875 -12.201 479 HB3 HIS 63 HB3 HIS 63 18.604 21.156 -10.610 480 HD1 HIS 63 HD1 HIS 63 16.340 19.784 -9.744 481 HD2 HIS 63 HD2 HIS 63 16.803 20.377 -13.825 482 HE1 HIS 63 HE1 HIS 63 14.790 18.153 -10.843 483 HE2 HIS 63 HE2 HIS 63 14.955 18.667 -13.297 484 HA PRO 64 HA PRO 64 19.892 25.981 -9.458 485 HB2 PRO 64 HB2 PRO 64 22.127 24.644 -8.395 486 HB3 PRO 64 HB3 PRO 64 20.801 25.328 -7.449 487 HG2 PRO 64 HG2 PRO 64 21.231 22.481 -8.331 488 HG3 PRO 64 HG3 PRO 64 20.643 23.099 -6.771 489 HD2 PRO 64 HD2 PRO 64 18.953 22.079 -8.611 490 HD3 PRO 64 HD3 PRO 64 18.475 23.461 -7.598 Start of MODEL 3 1 H MET 1 H MET 1 5.347 0.190 -7.710 2 HA MET 1 HA MET 1 8.094 1.206 -7.337 3 HB2 MET 1 HB2 MET 1 8.052 1.727 -9.753 4 HB3 MET 1 HB3 MET 1 7.833 0.011 -9.463 5 HG2 MET 1 HG2 MET 1 6.339 0.523 -11.202 6 HG3 MET 1 HG3 MET 1 5.325 0.428 -9.761 7 HE1 MET 1 HE1 MET 1 4.218 1.737 -12.399 8 HE2 MET 1 HE2 MET 1 3.523 3.253 -11.828 9 HE3 MET 1 HE3 MET 1 3.285 1.771 -10.901 10 H LYS 2 H LYS 2 4.657 1.919 -7.693 11 HA LYS 2 HA LYS 2 4.951 4.758 -7.988 12 HB2 LYS 2 HB2 LYS 2 3.023 3.515 -8.953 13 HB3 LYS 2 HB3 LYS 2 2.459 3.135 -7.330 14 HG2 LYS 2 HG2 LYS 2 2.208 5.603 -6.894 15 HG3 LYS 2 HG3 LYS 2 2.666 5.906 -8.571 16 HD2 LYS 2 HD2 LYS 2 0.227 6.004 -8.325 17 HD3 LYS 2 HD3 LYS 2 0.677 4.636 -9.346 18 HE2 LYS 2 HE2 LYS 2 0.395 3.119 -7.390 19 HE3 LYS 2 HE3 LYS 2 -0.093 4.502 -6.409 20 HZ1 LYS 2 HZ1 LYS 2 -1.503 3.543 -8.836 21 HZ2 LYS 2 HZ2 LYS 2 -1.984 4.824 -7.846 22 HZ3 LYS 2 HZ3 LYS 2 -1.985 3.245 -7.247 23 H ARG 3 H ARG 3 6.217 5.318 -6.238 24 HA ARG 3 HA ARG 3 5.219 5.171 -3.511 25 HB2 ARG 3 HB2 ARG 3 7.593 6.663 -4.718 26 HB3 ARG 3 HB3 ARG 3 7.269 6.501 -2.998 27 HG2 ARG 3 HG2 ARG 3 7.908 4.221 -4.892 28 HG3 ARG 3 HG3 ARG 3 9.030 4.956 -3.744 29 HD2 ARG 3 HD2 ARG 3 6.488 3.446 -3.048 30 HD3 ARG 3 HD3 ARG 3 8.139 2.848 -2.866 31 HE ARG 3 HE ARG 3 8.032 5.193 -1.406 32 HH11 ARG 3 HH11 ARG 3 6.380 2.083 -1.271 33 HH12 ARG 3 HH12 ARG 3 6.109 2.174 0.440 34 HH21 ARG 3 HH21 ARG 3 7.650 5.283 0.833 35 HH22 ARG 3 HH22 ARG 3 6.821 3.980 1.627 36 H ALA 4 H ALA 4 5.410 7.447 -2.317 37 HA ALA 4 HA ALA 4 3.397 9.220 -3.278 38 HB1 ALA 4 HB1 ALA 4 5.450 9.670 -1.078 39 HB2 ALA 4 HB2 ALA 4 3.865 8.922 -0.875 40 HB3 ALA 4 HB3 ALA 4 3.982 10.620 -1.339 41 H ALA 5 H ALA 5 6.947 9.396 -3.173 42 HA ALA 5 HA ALA 5 7.233 11.973 -4.379 43 HB1 ALA 5 HB1 ALA 5 9.618 11.377 -4.584 44 HB2 ALA 5 HB2 ALA 5 9.244 9.703 -4.162 45 HB3 ALA 5 HB3 ALA 5 9.000 10.987 -2.978 46 H ALA 6 H ALA 6 7.151 8.654 -5.599 47 HA ALA 6 HA ALA 6 7.815 9.124 -8.304 48 HB1 ALA 6 HB1 ALA 6 6.834 6.909 -8.734 49 HB2 ALA 6 HB2 ALA 6 6.117 6.906 -7.119 50 HB3 ALA 6 HB3 ALA 6 7.871 6.888 -7.308 51 H LYS 7 H LYS 7 4.704 9.040 -6.595 52 HA LYS 7 HA LYS 7 2.989 9.508 -8.794 53 HB2 LYS 7 HB2 LYS 7 2.713 9.301 -5.889 54 HB3 LYS 7 HB3 LYS 7 1.807 10.706 -6.423 55 HG2 LYS 7 HG2 LYS 7 1.456 7.893 -7.515 56 HG3 LYS 7 HG3 LYS 7 0.443 8.638 -6.282 57 HD2 LYS 7 HD2 LYS 7 0.760 9.674 -9.124 58 HD3 LYS 7 HD3 LYS 7 -0.590 8.697 -8.551 59 HE2 LYS 7 HE2 LYS 7 -1.104 10.528 -6.883 60 HE3 LYS 7 HE3 LYS 7 0.132 11.517 -7.660 61 HZ1 LYS 7 HZ1 LYS 7 -2.317 10.445 -8.970 62 HZ2 LYS 7 HZ2 LYS 7 -1.125 11.371 -9.730 63 HZ3 LYS 7 HZ3 LYS 7 -2.064 12.050 -8.502 64 H HIS 8 H HIS 8 4.587 11.686 -6.487 65 HA HIS 8 HA HIS 8 3.636 14.149 -7.472 66 HB2 HIS 8 HB2 HIS 8 6.122 13.372 -5.917 67 HB3 HIS 8 HB3 HIS 8 5.856 15.040 -6.413 68 HD1 HIS 8 HD1 HIS 8 5.910 15.459 -3.764 69 HD2 HIS 8 HD2 HIS 8 2.595 13.401 -5.203 70 HE1 HIS 8 HE1 HIS 8 4.164 15.638 -1.974 71 HE2 HIS 8 HE2 HIS 8 2.230 14.273 -2.807 72 H LEU 9 H LEU 9 6.295 12.086 -8.502 73 HA LEU 9 HA LEU 9 7.605 13.960 -10.210 74 HB2 LEU 9 HB2 LEU 9 8.390 11.627 -9.108 75 HB3 LEU 9 HB3 LEU 9 7.877 10.986 -10.653 76 HG LEU 9 HG LEU 9 10.352 11.449 -10.473 77 HD11 LEU 9 HD11 LEU 9 10.639 12.521 -12.651 78 HD12 LEU 9 HD12 LEU 9 8.951 13.036 -12.636 79 HD13 LEU 9 HD13 LEU 9 9.351 11.318 -12.688 80 HD21 LEU 9 HD21 LEU 9 9.535 14.373 -10.421 81 HD22 LEU 9 HD22 LEU 9 11.181 13.746 -10.545 82 HD23 LEU 9 HD23 LEU 9 10.245 13.467 -9.080 83 H ILE 10 H ILE 10 5.166 11.452 -10.687 84 HA ILE 10 HA ILE 10 4.800 11.711 -13.490 85 HB ILE 10 HB ILE 10 2.800 10.849 -11.341 86 HG12 ILE 10 HG12 ILE 10 4.453 9.063 -13.201 87 HG13 ILE 10 HG13 ILE 10 4.932 9.452 -11.555 88 HG21 ILE 10 HG21 ILE 10 1.515 9.773 -13.166 89 HG22 ILE 10 HG22 ILE 10 2.630 10.443 -14.358 90 HG23 ILE 10 HG23 ILE 10 1.615 11.519 -13.397 91 HD11 ILE 10 HD11 ILE 10 2.446 7.947 -12.359 92 HD12 ILE 10 HD12 ILE 10 2.926 8.342 -10.705 93 HD13 ILE 10 HD13 ILE 10 3.923 7.263 -11.678 94 H GLU 11 H GLU 11 3.391 13.388 -10.676 95 HA GLU 11 HA GLU 11 1.581 15.087 -12.037 96 HB2 GLU 11 HB2 GLU 11 3.009 15.581 -9.391 97 HB3 GLU 11 HB3 GLU 11 1.655 16.514 -9.988 98 HG2 GLU 11 HG2 GLU 11 1.675 13.673 -8.976 99 HG3 GLU 11 HG3 GLU 11 0.773 15.051 -8.350 100 H ARG 12 H ARG 12 5.046 15.342 -11.438 101 HA ARG 12 HA ARG 12 5.382 18.081 -12.131 102 HB2 ARG 12 HB2 ARG 12 7.407 15.819 -12.388 103 HB3 ARG 12 HB3 ARG 12 7.781 17.533 -12.455 104 HG2 ARG 12 HG2 ARG 12 6.786 15.998 -10.046 105 HG3 ARG 12 HG3 ARG 12 8.433 16.577 -10.316 106 HD2 ARG 12 HD2 ARG 12 7.507 18.133 -8.814 107 HD3 ARG 12 HD3 ARG 12 7.380 18.938 -10.379 108 HE ARG 12 HE ARG 12 4.999 17.494 -9.822 109 HH11 ARG 12 HH11 ARG 12 6.660 20.453 -8.839 110 HH12 ARG 12 HH12 ARG 12 5.197 21.252 -8.356 111 HH21 ARG 12 HH21 ARG 12 3.101 18.578 -9.205 112 HH22 ARG 12 HH22 ARG 12 3.188 20.188 -8.572 113 H TYR 13 H TYR 13 5.706 15.051 -13.964 114 HA TYR 13 HA TYR 13 6.255 16.230 -16.489 115 HB2 TYR 13 HB2 TYR 13 5.389 13.476 -15.591 116 HB3 TYR 13 HB3 TYR 13 5.404 13.855 -17.313 117 HD1 TYR 13 HD1 TYR 13 7.728 15.225 -17.991 118 HD2 TYR 13 HD2 TYR 13 7.325 12.292 -14.899 119 HE1 TYR 13 HE1 TYR 13 10.109 14.691 -18.182 120 HE2 TYR 13 HE2 TYR 13 9.712 11.776 -15.096 121 HH TYR 13 HH TYR 13 11.474 11.947 -16.835 122 H TYR 14 H TYR 14 3.227 15.355 -14.886 123 HA TYR 14 HA TYR 14 1.536 15.639 -17.156 124 HB2 TYR 14 HB2 TYR 14 0.827 14.355 -15.138 125 HB3 TYR 14 HB3 TYR 14 0.787 15.851 -14.204 126 HD1 TYR 14 HD1 TYR 14 -0.756 14.155 -17.168 127 HD2 TYR 14 HD2 TYR 14 -1.203 17.232 -14.228 128 HE1 TYR 14 HE1 TYR 14 -3.044 14.572 -17.944 129 HE2 TYR 14 HE2 TYR 14 -3.481 17.647 -15.014 130 HH TYR 14 HH TYR 14 -5.071 15.565 -17.257 131 H HIS 15 H HIS 15 2.266 17.780 -14.409 132 HA HIS 15 HA HIS 15 0.827 20.059 -15.281 133 HB2 HIS 15 HB2 HIS 15 1.626 19.708 -12.922 134 HB3 HIS 15 HB3 HIS 15 3.284 19.957 -13.464 135 HD1 HIS 15 HD1 HIS 15 3.816 22.472 -14.378 136 HD2 HIS 15 HD2 HIS 15 0.279 22.013 -12.240 137 HE1 HIS 15 HE1 HIS 15 3.143 24.779 -13.685 138 HE2 HIS 15 HE2 HIS 15 1.112 24.458 -12.233 139 H GLN 16 H GLN 16 4.025 18.812 -16.023 140 HA GLN 16 HA GLN 16 5.173 21.075 -17.283 141 HB2 GLN 16 HB2 GLN 16 6.500 19.120 -16.590 142 HB3 GLN 16 HB3 GLN 16 5.619 18.086 -17.707 143 HG2 GLN 16 HG2 GLN 16 6.587 19.397 -19.597 144 HG3 GLN 16 HG3 GLN 16 7.554 20.301 -18.437 145 HE21 GLN 16 HE21 GLN 16 7.084 17.177 -19.946 146 HE22 GLN 16 HE22 GLN 16 8.606 16.505 -19.486 147 H LEU 17 H LEU 17 3.081 18.469 -18.461 148 HA LEU 17 HA LEU 17 3.242 19.215 -21.262 149 HB2 LEU 17 HB2 LEU 17 1.453 17.248 -19.773 150 HB3 LEU 17 HB3 LEU 17 1.499 17.412 -21.523 151 HG LEU 17 HG LEU 17 3.974 16.686 -19.926 152 HD11 LEU 17 HD11 LEU 17 2.313 15.001 -19.398 153 HD12 LEU 17 HD12 LEU 17 3.574 14.327 -20.430 154 HD13 LEU 17 HD13 LEU 17 1.999 14.738 -21.116 155 HD21 LEU 17 HD21 LEU 17 3.306 16.270 -22.854 156 HD22 LEU 17 HD22 LEU 17 4.803 15.786 -22.054 157 HD23 LEU 17 HD23 LEU 17 4.400 17.495 -22.205 158 H THR 18 H THR 18 0.736 19.450 -18.722 159 HA THR 18 HA THR 18 -1.245 20.512 -20.555 160 HB THR 18 HB THR 18 -2.739 20.557 -18.522 161 HG1 THR 18 HG1 THR 18 -1.699 20.629 -16.682 162 HG21 THR 18 HG21 THR 18 -2.888 18.122 -18.238 163 HG22 THR 18 HG22 THR 18 -1.282 17.914 -18.939 164 HG23 THR 18 HG23 THR 18 -2.609 18.522 -19.932 165 H GLU 19 H GLU 19 0.985 21.825 -18.179 166 HA GLU 19 HA GLU 19 -0.349 24.477 -18.341 167 HB2 GLU 19 HB2 GLU 19 1.256 23.376 -16.004 168 HB3 GLU 19 HB3 GLU 19 0.471 24.947 -16.069 169 HG2 GLU 19 HG2 GLU 19 -0.889 22.239 -16.020 170 HG3 GLU 19 HG3 GLU 19 -0.838 23.422 -14.710 171 H GLY 20 H GLY 20 2.803 22.931 -17.784 172 HA2 GLY 20 HA2 GLY 20 4.790 23.601 -18.995 173 HA3 GLY 20 HA3 GLY 20 4.211 25.262 -18.958 174 H CYS 21 H CYS 21 5.835 26.211 -17.841 175 HA CYS 21 HA CYS 21 6.206 25.564 -14.989 176 HB2 CYS 21 HB2 CYS 21 8.696 25.897 -15.279 177 HB3 CYS 21 HB3 CYS 21 8.071 24.451 -16.065 178 H GLY 22 H GLY 22 5.332 27.846 -17.162 179 HA2 GLY 22 HA2 GLY 22 4.810 30.078 -16.619 180 HA3 GLY 22 HA3 GLY 22 6.079 30.095 -15.402 181 H ASN 23 H ASN 23 8.071 28.920 -17.192 182 HA ASN 23 HA ASN 23 9.436 31.100 -18.124 183 HB2 ASN 23 HB2 ASN 23 9.546 28.187 -18.959 184 HB3 ASN 23 HB3 ASN 23 10.620 29.367 -19.695 185 HD21 ASN 23 HD21 ASN 23 12.392 30.022 -18.630 186 HD22 ASN 23 HD22 ASN 23 12.881 29.424 -17.083 187 H GLU 24 H GLU 24 8.866 32.553 -19.645 188 HA GLU 24 HA GLU 24 7.263 32.149 -21.937 189 HB2 GLU 24 HB2 GLU 24 7.747 34.389 -21.019 190 HB3 GLU 24 HB3 GLU 24 9.460 34.189 -21.353 191 HG2 GLU 24 HG2 GLU 24 8.428 35.685 -22.978 192 HG3 GLU 24 HG3 GLU 24 9.021 34.226 -23.768 193 H ALA 25 H ALA 25 10.769 32.159 -21.438 194 HA ALA 25 HA ALA 25 11.242 30.735 -23.987 195 HB1 ALA 25 HB1 ALA 25 12.468 32.857 -23.714 196 HB2 ALA 25 HB2 ALA 25 13.572 31.482 -23.760 197 HB3 ALA 25 HB3 ALA 25 13.193 32.258 -22.220 198 H CYS 26 H CYS 26 10.949 28.635 -23.492 199 HA CYS 26 HA CYS 26 12.936 27.320 -21.744 200 HB2 CYS 26 HB2 CYS 26 10.765 27.397 -20.500 201 HB3 CYS 26 HB3 CYS 26 9.972 26.575 -21.828 202 H THR 27 H THR 27 13.792 25.550 -22.675 203 HA THR 27 HA THR 27 12.966 24.903 -25.415 204 HB THR 27 HB THR 27 15.770 24.948 -24.198 205 HG1 THR 27 HG1 THR 27 14.337 26.799 -25.822 206 HG21 THR 27 HG21 THR 27 14.855 24.580 -27.068 207 HG22 THR 27 HG22 THR 27 15.546 23.331 -26.032 208 HG23 THR 27 HG23 THR 27 16.532 24.703 -26.525 209 H ASN 28 H ASN 28 11.593 23.309 -24.503 210 HA ASN 28 HA ASN 28 12.918 20.728 -24.481 211 HB2 ASN 28 HB2 ASN 28 12.850 21.164 -22.067 212 HB3 ASN 28 HB3 ASN 28 11.140 21.556 -22.143 213 HD21 ASN 28 HD21 ASN 28 10.784 19.947 -20.522 214 HD22 ASN 28 HD22 ASN 28 10.763 18.263 -20.906 215 H GLU 29 H GLU 29 11.846 19.442 -25.743 216 HA GLU 29 HA GLU 29 9.489 20.134 -27.158 217 HB2 GLU 29 HB2 GLU 29 9.779 17.890 -28.191 218 HB3 GLU 29 HB3 GLU 29 11.297 18.783 -28.124 219 HG2 GLU 29 HG2 GLU 29 11.780 17.479 -25.954 220 HG3 GLU 29 HG3 GLU 29 10.430 16.443 -26.407 221 H PHE 30 H PHE 30 9.887 18.577 -24.117 222 HA PHE 30 HA PHE 30 7.194 17.357 -24.144 223 HB2 PHE 30 HB2 PHE 30 9.479 17.066 -22.143 224 HB3 PHE 30 HB3 PHE 30 7.954 16.180 -22.096 225 HD1 PHE 30 HD1 PHE 30 7.391 15.037 -24.547 226 HD2 PHE 30 HD2 PHE 30 11.291 15.802 -22.932 227 HE1 PHE 30 HE1 PHE 30 8.347 13.294 -25.993 228 HE2 PHE 30 HE2 PHE 30 12.226 14.045 -24.372 229 HZ PHE 30 HZ PHE 30 10.757 12.794 -25.907 230 H CYS 31 H CYS 31 8.457 20.310 -23.406 231 HA CYS 31 HA CYS 31 6.816 20.721 -20.965 232 HB2 CYS 31 HB2 CYS 31 9.333 21.256 -20.909 233 HB3 CYS 31 HB3 CYS 31 8.967 22.618 -21.958 234 H ALA 32 H ALA 32 5.221 22.284 -20.952 235 HA ALA 32 HA ALA 32 4.079 22.949 -23.484 236 HB1 ALA 32 HB1 ALA 32 2.223 23.893 -22.213 237 HB2 ALA 32 HB2 ALA 32 3.168 23.796 -20.728 238 HB3 ALA 32 HB3 ALA 32 2.678 22.320 -21.556 239 H SER 33 H SER 33 3.622 24.986 -24.327 240 HA SER 33 HA SER 33 3.920 27.118 -24.950 241 HB2 SER 33 HB2 SER 33 5.307 27.637 -22.282 242 HB3 SER 33 HB3 SER 33 4.628 28.847 -23.372 243 HG SER 33 HG SER 33 2.731 27.066 -22.834 244 H CYS 34 H CYS 34 6.275 24.898 -24.726 245 HA CYS 34 HA CYS 34 8.545 26.496 -25.590 246 HB2 CYS 34 HB2 CYS 34 8.140 23.485 -25.417 247 HB3 CYS 34 HB3 CYS 34 9.674 24.283 -25.780 248 HG CYS 34 HG CYS 34 8.793 25.705 -23.088 249 HA PRO 35 HA PRO 35 7.790 26.746 -29.950 250 HB2 PRO 35 HB2 PRO 35 10.534 25.576 -30.429 251 HB3 PRO 35 HB3 PRO 35 9.820 27.070 -31.059 252 HG2 PRO 35 HG2 PRO 35 11.613 27.165 -29.081 253 HG3 PRO 35 HG3 PRO 35 10.202 28.243 -29.064 254 HD2 PRO 35 HD2 PRO 35 10.689 25.728 -27.475 255 HD3 PRO 35 HD3 PRO 35 9.906 27.242 -26.969 256 H THR 36 H THR 36 9.476 23.715 -29.132 257 HA THR 36 HA THR 36 8.442 22.319 -31.492 258 HB THR 36 HB THR 36 10.001 20.513 -30.770 259 HG1 THR 36 HG1 THR 36 11.328 20.873 -28.961 260 HG21 THR 36 HG21 THR 36 10.876 22.315 -32.211 261 HG22 THR 36 HG22 THR 36 12.123 21.755 -31.097 262 HG23 THR 36 HG23 THR 36 11.282 23.278 -30.787 263 H PHE 37 H PHE 37 6.812 23.021 -28.914 264 HA PHE 37 HA PHE 37 5.809 20.314 -28.255 265 HB2 PHE 37 HB2 PHE 37 6.712 21.635 -26.337 266 HB3 PHE 37 HB3 PHE 37 5.559 22.918 -26.683 267 HD1 PHE 37 HD1 PHE 37 5.942 19.471 -25.396 268 HD2 PHE 37 HD2 PHE 37 3.198 22.694 -26.012 269 HE1 PHE 37 HE1 PHE 37 4.307 18.372 -23.930 270 HE2 PHE 37 HE2 PHE 37 1.580 21.580 -24.544 271 HZ PHE 37 HZ PHE 37 2.136 19.431 -23.499 272 H LEU 38 H LEU 38 3.618 19.892 -28.404 273 HA LEU 38 HA LEU 38 1.743 22.003 -29.329 274 HB2 LEU 38 HB2 LEU 38 1.891 19.110 -30.270 275 HB3 LEU 38 HB3 LEU 38 0.562 20.194 -30.641 276 HG LEU 38 HG LEU 38 3.439 20.637 -31.530 277 HD11 LEU 38 HD11 LEU 38 1.098 19.617 -33.169 278 HD12 LEU 38 HD12 LEU 38 2.506 18.676 -32.671 279 HD13 LEU 38 HD13 LEU 38 2.699 20.020 -33.794 280 HD21 LEU 38 HD21 LEU 38 2.221 22.752 -31.290 281 HD22 LEU 38 HD22 LEU 38 0.909 22.137 -32.295 282 HD23 LEU 38 HD23 LEU 38 2.508 22.399 -32.994 283 H ARG 39 H ARG 39 -0.225 22.000 -28.303 284 HA ARG 39 HA ARG 39 -0.352 20.804 -25.716 285 HB2 ARG 39 HB2 ARG 39 -2.464 22.321 -27.299 286 HB3 ARG 39 HB3 ARG 39 -2.679 21.813 -25.628 287 HG2 ARG 39 HG2 ARG 39 -0.497 23.693 -26.583 288 HG3 ARG 39 HG3 ARG 39 -2.026 24.213 -25.876 289 HD2 ARG 39 HD2 ARG 39 -1.431 22.988 -23.777 290 HD3 ARG 39 HD3 ARG 39 0.122 22.563 -24.499 291 HE ARG 39 HE ARG 39 0.289 25.175 -24.721 292 HH11 ARG 39 HH11 ARG 39 -0.814 23.321 -21.958 293 HH12 ARG 39 HH12 ARG 39 -0.457 24.574 -20.821 294 HH21 ARG 39 HH21 ARG 39 0.769 26.803 -23.180 295 HH22 ARG 39 HH22 ARG 39 0.431 26.528 -21.505 296 H MET 40 H MET 40 -0.857 18.786 -25.308 297 HA MET 40 HA MET 40 -2.560 17.164 -27.058 298 HB2 MET 40 HB2 MET 40 -1.903 15.289 -25.477 299 HB3 MET 40 HB3 MET 40 -0.565 16.045 -26.329 300 HG2 MET 40 HG2 MET 40 -1.278 16.934 -23.544 301 HG3 MET 40 HG3 MET 40 -0.283 15.507 -23.810 302 HE1 MET 40 HE1 MET 40 2.887 16.993 -25.526 303 HE2 MET 40 HE2 MET 40 1.507 16.201 -26.282 304 HE3 MET 40 HE3 MET 40 2.183 15.556 -24.784 305 H ASP 41 H ASP 41 -4.282 15.820 -26.084 306 HA ASP 41 HA ASP 41 -6.159 17.173 -24.415 307 HB2 ASP 41 HB2 ASP 41 -6.796 15.469 -26.123 308 HB3 ASP 41 HB3 ASP 41 -5.980 14.217 -25.196 309 H ASN 42 H ASN 42 -6.987 16.232 -22.265 310 HA ASN 42 HA ASN 42 -4.881 16.235 -20.368 311 HB2 ASN 42 HB2 ASN 42 -6.551 16.066 -18.643 312 HB3 ASN 42 HB3 ASN 42 -7.264 17.040 -19.920 313 HD21 ASN 42 HD21 ASN 42 -7.395 14.001 -18.223 314 HD22 ASN 42 HD22 ASN 42 -8.897 13.467 -18.886 315 H ASN 43 H ASN 43 -6.787 13.605 -21.764 316 HA ASN 43 HA ASN 43 -5.741 11.507 -20.104 317 HB2 ASN 43 HB2 ASN 43 -7.212 11.410 -22.775 318 HB3 ASN 43 HB3 ASN 43 -6.831 9.987 -21.807 319 HD21 ASN 43 HD21 ASN 43 -8.888 12.792 -22.081 320 HD22 ASN 43 HD22 ASN 43 -9.976 12.357 -20.813 321 H ALA 44 H ALA 44 -4.942 12.881 -23.251 322 HA ALA 44 HA ALA 44 -2.949 11.001 -24.035 323 HB1 ALA 44 HB1 ALA 44 -3.287 13.907 -24.867 324 HB2 ALA 44 HB2 ALA 44 -4.036 12.512 -25.646 325 HB3 ALA 44 HB3 ALA 44 -2.284 12.706 -25.685 326 H ALA 45 H ALA 45 -2.905 13.961 -22.147 327 HA ALA 45 HA ALA 45 -0.060 14.195 -21.800 328 HB1 ALA 45 HB1 ALA 45 -2.334 15.460 -20.223 329 HB2 ALA 45 HB2 ALA 45 -1.561 16.151 -21.650 330 HB3 ALA 45 HB3 ALA 45 -0.634 15.938 -20.166 331 H ALA 46 H ALA 46 -2.715 12.643 -20.092 332 HA ALA 46 HA ALA 46 -1.382 11.985 -17.689 333 HB1 ALA 46 HB1 ALA 46 -3.200 10.353 -17.356 334 HB2 ALA 46 HB2 ALA 46 -3.708 10.566 -19.035 335 HB3 ALA 46 HB3 ALA 46 -3.828 11.911 -17.899 336 H ILE 47 H ILE 47 -1.953 10.107 -20.673 337 HA ILE 47 HA ILE 47 -0.420 7.828 -20.073 338 HB ILE 47 HB ILE 47 -1.017 9.095 -22.792 339 HG12 ILE 47 HG12 ILE 47 -3.071 8.418 -21.601 340 HG13 ILE 47 HG13 ILE 47 -2.803 7.355 -22.976 341 HG21 ILE 47 HG21 ILE 47 -0.472 6.871 -23.802 342 HG22 ILE 47 HG22 ILE 47 0.103 6.318 -22.227 343 HG23 ILE 47 HG23 ILE 47 0.930 7.641 -23.049 344 HD11 ILE 47 HD11 ILE 47 -2.238 6.707 -20.082 345 HD12 ILE 47 HD12 ILE 47 -1.919 5.636 -21.447 346 HD13 ILE 47 HD13 ILE 47 -3.575 6.098 -21.058 347 H LYS 48 H LYS 48 0.443 10.850 -21.755 348 HA LYS 48 HA LYS 48 3.081 10.154 -22.463 349 HB2 LYS 48 HB2 LYS 48 1.663 12.050 -23.455 350 HB3 LYS 48 HB3 LYS 48 2.069 12.999 -22.032 351 HG2 LYS 48 HG2 LYS 48 3.511 13.637 -23.875 352 HG3 LYS 48 HG3 LYS 48 4.477 12.840 -22.627 353 HD2 LYS 48 HD2 LYS 48 4.499 10.756 -23.919 354 HD3 LYS 48 HD3 LYS 48 3.412 11.460 -25.120 355 HE2 LYS 48 HE2 LYS 48 5.163 13.125 -25.699 356 HE3 LYS 48 HE3 LYS 48 6.258 12.358 -24.543 357 HZ1 LYS 48 HZ1 LYS 48 6.571 11.641 -26.876 358 HZ2 LYS 48 HZ2 LYS 48 5.029 10.956 -26.853 359 HZ3 LYS 48 HZ3 LYS 48 6.232 10.361 -25.825 360 H ALA 49 H ALA 49 1.726 11.702 -19.574 361 HA ALA 49 HA ALA 49 4.122 12.533 -18.311 362 HB1 ALA 49 HB1 ALA 49 2.799 12.611 -16.235 363 HB2 ALA 49 HB2 ALA 49 1.506 11.684 -17.003 364 HB3 ALA 49 HB3 ALA 49 1.894 13.305 -17.579 365 H LEU 50 H LEU 50 2.292 9.494 -18.167 366 HA LEU 50 HA LEU 50 4.005 8.135 -16.333 367 HB2 LEU 50 HB2 LEU 50 1.777 7.315 -18.184 368 HB3 LEU 50 HB3 LEU 50 2.849 6.047 -17.632 369 HG LEU 50 HG LEU 50 0.866 6.113 -16.232 370 HD11 LEU 50 HD11 LEU 50 3.267 7.133 -14.684 371 HD12 LEU 50 HD12 LEU 50 2.976 5.459 -15.162 372 HD13 LEU 50 HD13 LEU 50 1.893 6.245 -14.016 373 HD21 LEU 50 HD21 LEU 50 0.206 8.446 -16.528 374 HD22 LEU 50 HD22 LEU 50 1.583 8.980 -15.559 375 HD23 LEU 50 HD23 LEU 50 0.292 8.032 -14.817 376 H GLU 51 H GLU 51 3.996 8.425 -19.880 377 HA GLU 51 HA GLU 51 5.968 6.407 -20.349 378 HB2 GLU 51 HB2 GLU 51 5.093 8.698 -22.140 379 HB3 GLU 51 HB3 GLU 51 6.139 7.375 -22.646 380 HG2 GLU 51 HG2 GLU 51 3.214 7.249 -21.888 381 HG3 GLU 51 HG3 GLU 51 3.950 6.884 -23.444 382 H LEU 52 H LEU 52 6.096 9.907 -19.974 383 HA LEU 52 HA LEU 52 8.904 10.193 -20.440 384 HB2 LEU 52 HB2 LEU 52 6.995 12.032 -18.924 385 HB3 LEU 52 HB3 LEU 52 8.618 12.451 -19.448 386 HG LEU 52 HG LEU 52 6.244 11.897 -21.254 387 HD11 LEU 52 HD11 LEU 52 7.731 14.480 -20.740 388 HD12 LEU 52 HD12 LEU 52 6.124 14.069 -20.137 389 HD13 LEU 52 HD13 LEU 52 6.391 14.254 -21.869 390 HD21 LEU 52 HD21 LEU 52 7.683 12.486 -23.144 391 HD22 LEU 52 HD22 LEU 52 8.276 11.047 -22.320 392 HD23 LEU 52 HD23 LEU 52 9.074 12.601 -22.068 393 H TYR 53 H TYR 53 6.937 9.412 -17.659 394 HA TYR 53 HA TYR 53 8.920 9.787 -15.645 395 HB2 TYR 53 HB2 TYR 53 6.623 9.761 -14.931 396 HB3 TYR 53 HB3 TYR 53 6.313 8.215 -15.713 397 HD1 TYR 53 HD1 TYR 53 8.453 9.716 -12.975 398 HD2 TYR 53 HD2 TYR 53 6.336 6.266 -14.371 399 HE1 TYR 53 HE1 TYR 53 8.988 8.535 -10.888 400 HE2 TYR 53 HE2 TYR 53 6.869 5.098 -12.285 401 HH TYR 53 HH TYR 53 8.585 5.176 -10.540 402 H LYS 54 H LYS 54 7.748 6.842 -17.347 403 HA LYS 54 HA LYS 54 9.432 5.019 -16.003 404 HB2 LYS 54 HB2 LYS 54 8.843 3.396 -17.829 405 HB3 LYS 54 HB3 LYS 54 7.448 4.168 -17.094 406 HG2 LYS 54 HG2 LYS 54 7.195 5.644 -19.002 407 HG3 LYS 54 HG3 LYS 54 8.662 5.014 -19.739 408 HD2 LYS 54 HD2 LYS 54 6.231 3.273 -19.165 409 HD3 LYS 54 HD3 LYS 54 6.442 4.148 -20.680 410 HE2 LYS 54 HE2 LYS 54 8.528 2.927 -21.111 411 HE3 LYS 54 HE3 LYS 54 8.343 2.045 -19.592 412 HZ1 LYS 54 HZ1 LYS 54 6.473 1.952 -21.898 413 HZ2 LYS 54 HZ2 LYS 54 6.283 1.105 -20.450 414 HZ3 LYS 54 HZ3 LYS 54 7.579 0.745 -21.475 415 H ILE 55 H ILE 55 9.879 6.768 -19.074 416 HA ILE 55 HA ILE 55 12.419 5.473 -19.671 417 HB ILE 55 HB ILE 55 12.521 6.859 -21.663 418 HG12 ILE 55 HG12 ILE 55 10.181 8.473 -20.539 419 HG13 ILE 55 HG13 ILE 55 11.826 9.051 -20.755 420 HG21 ILE 55 HG21 ILE 55 10.994 4.923 -21.763 421 HG22 ILE 55 HG22 ILE 55 10.412 6.225 -22.796 422 HG23 ILE 55 HG23 ILE 55 9.648 5.936 -21.231 423 HD11 ILE 55 HD11 ILE 55 10.397 9.920 -22.480 424 HD12 ILE 55 HD12 ILE 55 9.896 8.295 -22.945 425 HD13 ILE 55 HD13 ILE 55 11.568 8.810 -23.194 426 H ASN 56 H ASN 56 11.384 8.128 -17.772 427 HA ASN 56 HA ASN 56 12.224 9.992 -16.873 428 HB2 ASN 56 HB2 ASN 56 14.742 8.297 -16.890 429 HB3 ASN 56 HB3 ASN 56 14.703 9.902 -16.161 430 HD21 ASN 56 HD21 ASN 56 13.457 10.220 -14.280 431 HD22 ASN 56 HD22 ASN 56 12.925 8.900 -13.301 432 H ALA 57 H ALA 57 11.644 10.979 -18.888 433 HA ALA 57 HA ALA 57 13.639 11.744 -20.826 434 HB1 ALA 57 HB1 ALA 57 10.796 12.740 -20.408 435 HB2 ALA 57 HB2 ALA 57 11.278 11.414 -21.467 436 HB3 ALA 57 HB3 ALA 57 11.806 13.059 -21.823 437 H LYS 58 H LYS 58 13.170 14.410 -21.301 438 HA LYS 58 HA LYS 58 14.692 15.773 -19.316 439 HB2 LYS 58 HB2 LYS 58 13.085 16.899 -21.649 440 HB3 LYS 58 HB3 LYS 58 14.284 17.787 -20.714 441 HG2 LYS 58 HG2 LYS 58 14.887 15.304 -22.338 442 HG3 LYS 58 HG3 LYS 58 15.140 16.945 -22.924 443 HD2 LYS 58 HD2 LYS 58 16.528 15.713 -20.497 444 HD3 LYS 58 HD3 LYS 58 17.247 15.860 -22.102 445 HE2 LYS 58 HE2 LYS 58 16.341 18.193 -20.382 446 HE3 LYS 58 HE3 LYS 58 18.008 17.649 -20.544 447 HZ1 LYS 58 HZ1 LYS 58 17.967 18.222 -22.855 448 HZ2 LYS 58 HZ2 LYS 58 17.458 19.558 -21.955 449 HZ3 LYS 58 HZ3 LYS 58 16.329 18.621 -22.785 450 H LEU 59 H LEU 59 13.653 15.670 -17.378 451 HA LEU 59 HA LEU 59 10.978 16.650 -16.935 452 HB2 LEU 59 HB2 LEU 59 11.955 14.934 -15.449 453 HB3 LEU 59 HB3 LEU 59 13.224 16.047 -14.961 454 HG LEU 59 HG LEU 59 11.510 17.531 -13.897 455 HD11 LEU 59 HD11 LEU 59 9.190 16.783 -13.614 456 HD12 LEU 59 HD12 LEU 59 9.502 15.362 -14.610 457 HD13 LEU 59 HD13 LEU 59 9.581 16.975 -15.320 458 HD21 LEU 59 HD21 LEU 59 11.392 14.661 -12.885 459 HD22 LEU 59 HD22 LEU 59 10.996 16.107 -11.956 460 HD23 LEU 59 HD23 LEU 59 12.647 15.846 -12.507 461 H CYS 60 H CYS 60 10.392 18.718 -16.422 462 HA CYS 60 HA CYS 60 12.501 20.768 -16.515 463 HB2 CYS 60 HB2 CYS 60 10.577 20.892 -18.138 464 HB3 CYS 60 HB3 CYS 60 9.511 21.233 -16.770 465 H ASP 61 H ASP 61 13.209 20.460 -14.366 466 HA ASP 61 HA ASP 61 11.627 21.263 -12.103 467 HB2 ASP 61 HB2 ASP 61 14.655 21.242 -12.542 468 HB3 ASP 61 HB3 ASP 61 13.871 21.495 -10.986 469 HA PRO 62 HA PRO 62 11.862 25.744 -12.887 470 HB2 PRO 62 HB2 PRO 62 11.637 26.725 -10.309 471 HB3 PRO 62 HB3 PRO 62 10.264 26.098 -11.231 472 HG2 PRO 62 HG2 PRO 62 11.922 24.713 -9.127 473 HG3 PRO 62 HG3 PRO 62 10.157 24.711 -9.344 474 HD2 PRO 62 HD2 PRO 62 11.720 22.642 -10.166 475 HD3 PRO 62 HD3 PRO 62 10.245 23.106 -11.041 476 H HIS 63 H HIS 63 13.873 26.313 -13.586 477 HA HIS 63 HA HIS 63 16.241 26.124 -11.837 478 HB2 HIS 63 HB2 HIS 63 16.012 26.603 -14.839 479 HB3 HIS 63 HB3 HIS 63 17.531 26.490 -13.955 480 HD1 HIS 63 HD1 HIS 63 17.731 24.042 -12.599 481 HD2 HIS 63 HD2 HIS 63 15.327 24.211 -15.983 482 HE1 HIS 63 HE1 HIS 63 17.474 21.673 -13.365 483 HE2 HIS 63 HE2 HIS 63 16.080 21.806 -15.456 484 HA PRO 64 HA PRO 64 15.655 30.722 -11.492 485 HB2 PRO 64 HB2 PRO 64 17.607 30.426 -9.237 486 HB3 PRO 64 HB3 PRO 64 15.977 31.118 -9.227 487 HG2 PRO 64 HG2 PRO 64 16.493 28.738 -8.056 488 HG3 PRO 64 HG3 PRO 64 14.952 29.044 -8.893 489 HD2 PRO 64 HD2 PRO 64 17.409 27.591 -9.916 490 HD3 PRO 64 HD3 PRO 64 15.702 27.099 -10.000 Start of MODEL 4 1 H MET 1 H MET 1 2.298 -0.243 -3.924 2 HA MET 1 HA MET 1 4.304 0.404 -5.078 3 HB2 MET 1 HB2 MET 1 1.846 0.024 -6.846 4 HB3 MET 1 HB3 MET 1 3.499 -0.093 -7.440 5 HG2 MET 1 HG2 MET 1 2.277 -1.867 -5.314 6 HG3 MET 1 HG3 MET 1 2.519 -2.310 -7.005 7 HE1 MET 1 HE1 MET 1 5.463 -0.948 -7.545 8 HE2 MET 1 HE2 MET 1 4.955 -2.532 -8.132 9 HE3 MET 1 HE3 MET 1 6.469 -2.366 -7.243 10 H LYS 2 H LYS 2 1.554 2.563 -5.641 11 HA LYS 2 HA LYS 2 3.116 4.474 -7.178 12 HB2 LYS 2 HB2 LYS 2 0.300 4.692 -6.028 13 HB3 LYS 2 HB3 LYS 2 1.037 5.840 -7.146 14 HG2 LYS 2 HG2 LYS 2 1.157 4.112 -8.886 15 HG3 LYS 2 HG3 LYS 2 0.523 2.909 -7.764 16 HD2 LYS 2 HD2 LYS 2 -1.296 3.582 -9.176 17 HD3 LYS 2 HD3 LYS 2 -1.579 4.280 -7.582 18 HE2 LYS 2 HE2 LYS 2 -0.693 6.454 -8.391 19 HE3 LYS 2 HE3 LYS 2 -0.442 5.743 -9.987 20 HZ1 LYS 2 HZ1 LYS 2 -2.829 5.373 -10.145 21 HZ2 LYS 2 HZ2 LYS 2 -2.486 7.009 -9.900 22 HZ3 LYS 2 HZ3 LYS 2 -3.057 6.066 -8.621 23 H ARG 3 H ARG 3 4.766 4.585 -5.586 24 HA ARG 3 HA ARG 3 4.618 5.621 -2.971 25 HB2 ARG 3 HB2 ARG 3 6.598 4.494 -3.889 26 HB3 ARG 3 HB3 ARG 3 6.831 5.782 -5.064 27 HG2 ARG 3 HG2 ARG 3 7.381 7.354 -3.253 28 HG3 ARG 3 HG3 ARG 3 7.102 6.082 -2.057 29 HD2 ARG 3 HD2 ARG 3 9.242 6.049 -4.223 30 HD3 ARG 3 HD3 ARG 3 9.508 6.377 -2.506 31 HE ARG 3 HE ARG 3 8.274 3.810 -3.186 32 HH11 ARG 3 HH11 ARG 3 11.251 5.470 -2.304 33 HH12 ARG 3 HH12 ARG 3 12.037 4.013 -1.793 34 HH21 ARG 3 HH21 ARG 3 9.337 1.922 -2.535 35 HH22 ARG 3 HH22 ARG 3 10.969 2.005 -1.947 36 H ALA 4 H ALA 4 4.720 7.768 -2.153 37 HA ALA 4 HA ALA 4 3.284 9.721 -3.537 38 HB1 ALA 4 HB1 ALA 4 3.817 11.217 -1.669 39 HB2 ALA 4 HB2 ALA 4 5.095 10.120 -1.135 40 HB3 ALA 4 HB3 ALA 4 3.408 9.603 -1.089 41 H ALA 5 H ALA 5 6.798 9.452 -3.061 42 HA ALA 5 HA ALA 5 7.632 11.857 -4.282 43 HB1 ALA 5 HB1 ALA 5 9.095 9.197 -4.135 44 HB2 ALA 5 HB2 ALA 5 9.119 10.459 -2.902 45 HB3 ALA 5 HB3 ALA 5 9.831 10.763 -4.486 46 H ALA 6 H ALA 6 7.161 8.607 -5.575 47 HA ALA 6 HA ALA 6 7.937 9.158 -8.291 48 HB1 ALA 6 HB1 ALA 6 7.242 6.831 -8.679 49 HB2 ALA 6 HB2 ALA 6 6.509 6.768 -7.076 50 HB3 ALA 6 HB3 ALA 6 8.256 6.950 -7.241 51 H LYS 7 H LYS 7 4.992 9.333 -6.490 52 HA LYS 7 HA LYS 7 3.097 9.070 -8.640 53 HB2 LYS 7 HB2 LYS 7 2.483 8.481 -6.321 54 HB3 LYS 7 HB3 LYS 7 2.847 10.109 -5.772 55 HG2 LYS 7 HG2 LYS 7 0.444 9.781 -5.892 56 HG3 LYS 7 HG3 LYS 7 0.945 10.985 -7.083 57 HD2 LYS 7 HD2 LYS 7 0.818 9.269 -8.872 58 HD3 LYS 7 HD3 LYS 7 0.344 8.057 -7.679 59 HE2 LYS 7 HE2 LYS 7 -1.599 8.878 -8.940 60 HE3 LYS 7 HE3 LYS 7 -1.732 9.294 -7.232 61 HZ1 LYS 7 HZ1 LYS 7 -0.836 11.125 -9.383 62 HZ2 LYS 7 HZ2 LYS 7 -1.004 11.525 -7.750 63 HZ3 LYS 7 HZ3 LYS 7 -2.366 11.117 -8.666 64 H HIS 8 H HIS 8 4.285 11.707 -6.588 65 HA HIS 8 HA HIS 8 3.084 13.814 -8.078 66 HB2 HIS 8 HB2 HIS 8 5.263 13.911 -5.957 67 HB3 HIS 8 HB3 HIS 8 4.465 15.332 -6.639 68 HD1 HIS 8 HD1 HIS 8 1.552 14.122 -6.644 69 HD2 HIS 8 HD2 HIS 8 4.157 14.122 -3.407 70 HE1 HIS 8 HE1 HIS 8 0.108 13.930 -4.615 71 HE2 HIS 8 HE2 HIS 8 1.692 14.000 -2.666 72 H LEU 9 H LEU 9 6.115 12.105 -8.322 73 HA LEU 9 HA LEU 9 7.557 13.736 -10.092 74 HB2 LEU 9 HB2 LEU 9 7.993 11.294 -8.960 75 HB3 LEU 9 HB3 LEU 9 7.517 10.758 -10.552 76 HG LEU 9 HG LEU 9 9.974 10.827 -10.257 77 HD11 LEU 9 HD11 LEU 9 9.028 12.824 -12.311 78 HD12 LEU 9 HD12 LEU 9 9.113 11.072 -12.510 79 HD13 LEU 9 HD13 LEU 9 10.592 12.004 -12.291 80 HD21 LEU 9 HD21 LEU 9 11.193 12.925 -10.052 81 HD22 LEU 9 HD22 LEU 9 10.119 12.699 -8.674 82 HD23 LEU 9 HD23 LEU 9 9.678 13.829 -9.958 83 H ILE 10 H ILE 10 5.011 11.304 -10.687 84 HA ILE 10 HA ILE 10 4.772 11.657 -13.512 85 HB ILE 10 HB ILE 10 2.654 10.662 -11.532 86 HG12 ILE 10 HG12 ILE 10 4.608 9.051 -13.246 87 HG13 ILE 10 HG13 ILE 10 4.815 9.365 -11.532 88 HG21 ILE 10 HG21 ILE 10 2.762 10.301 -14.563 89 HG22 ILE 10 HG22 ILE 10 1.610 11.299 -13.676 90 HG23 ILE 10 HG23 ILE 10 1.584 9.549 -13.480 91 HD11 ILE 10 HD11 ILE 10 2.597 7.759 -12.777 92 HD12 ILE 10 HD12 ILE 10 2.806 8.069 -11.051 93 HD13 ILE 10 HD13 ILE 10 4.013 7.135 -11.933 94 H GLU 11 H GLU 11 3.188 13.272 -10.726 95 HA GLU 11 HA GLU 11 1.498 14.979 -12.265 96 HB2 GLU 11 HB2 GLU 11 2.490 15.114 -9.409 97 HB3 GLU 11 HB3 GLU 11 1.694 16.518 -10.097 98 HG2 GLU 11 HG2 GLU 11 0.012 15.385 -8.927 99 HG3 GLU 11 HG3 GLU 11 -0.285 14.990 -10.615 100 H ARG 12 H ARG 12 4.920 15.163 -11.504 101 HA ARG 12 HA ARG 12 5.267 17.941 -12.134 102 HB2 ARG 12 HB2 ARG 12 7.318 15.691 -12.138 103 HB3 ARG 12 HB3 ARG 12 7.706 17.393 -12.320 104 HG2 ARG 12 HG2 ARG 12 6.675 15.980 -9.853 105 HG3 ARG 12 HG3 ARG 12 8.232 16.767 -10.084 106 HD2 ARG 12 HD2 ARG 12 7.043 18.286 -8.753 107 HD3 ARG 12 HD3 ARG 12 6.856 18.950 -10.375 108 HE ARG 12 HE ARG 12 4.740 17.241 -9.213 109 HH11 ARG 12 HH11 ARG 12 5.695 20.360 -10.540 110 HH12 ARG 12 HH12 ARG 12 4.095 21.028 -10.424 111 HH21 ARG 12 HH21 ARG 12 2.644 18.125 -9.095 112 HH22 ARG 12 HH22 ARG 12 2.367 19.767 -9.592 113 H TYR 13 H TYR 13 5.673 14.897 -13.908 114 HA TYR 13 HA TYR 13 6.261 15.989 -16.440 115 HB2 TYR 13 HB2 TYR 13 5.072 13.338 -15.565 116 HB3 TYR 13 HB3 TYR 13 5.260 13.727 -17.278 117 HD1 TYR 13 HD1 TYR 13 7.732 14.684 -17.887 118 HD2 TYR 13 HD2 TYR 13 6.819 12.097 -14.608 119 HE1 TYR 13 HE1 TYR 13 10.051 13.867 -17.874 120 HE2 TYR 13 HE2 TYR 13 9.129 11.299 -14.607 121 HH TYR 13 HH TYR 13 10.970 11.097 -16.258 122 H TYR 14 H TYR 14 3.167 15.029 -14.977 123 HA TYR 14 HA TYR 14 1.458 15.567 -17.128 124 HB2 TYR 14 HB2 TYR 14 0.777 14.281 -15.103 125 HB3 TYR 14 HB3 TYR 14 0.861 15.750 -14.139 126 HD1 TYR 14 HD1 TYR 14 -1.034 14.028 -16.835 127 HD2 TYR 14 HD2 TYR 14 -0.976 17.357 -14.163 128 HE1 TYR 14 HE1 TYR 14 -3.377 14.510 -17.369 129 HE2 TYR 14 HE2 TYR 14 -3.313 17.834 -14.697 130 HH TYR 14 HH TYR 14 -4.904 17.412 -16.532 131 H HIS 15 H HIS 15 2.655 17.622 -14.528 132 HA HIS 15 HA HIS 15 1.321 20.024 -15.157 133 HB2 HIS 15 HB2 HIS 15 2.382 19.852 -12.990 134 HB3 HIS 15 HB3 HIS 15 3.945 19.472 -13.706 135 HD1 HIS 15 HD1 HIS 15 5.506 21.392 -13.965 136 HD2 HIS 15 HD2 HIS 15 1.560 22.666 -13.619 137 HE1 HIS 15 HE1 HIS 15 5.598 23.891 -13.901 138 HE2 HIS 15 HE2 HIS 15 3.209 24.644 -13.714 139 H GLN 16 H GLN 16 4.419 18.630 -16.190 140 HA GLN 16 HA GLN 16 5.286 20.852 -17.733 141 HB2 GLN 16 HB2 GLN 16 6.854 19.158 -16.797 142 HB3 GLN 16 HB3 GLN 16 6.190 17.951 -17.897 143 HG2 GLN 16 HG2 GLN 16 6.994 19.254 -19.826 144 HG3 GLN 16 HG3 GLN 16 7.638 20.484 -18.745 145 HE21 GLN 16 HE21 GLN 16 8.067 17.241 -19.970 146 HE22 GLN 16 HE22 GLN 16 9.685 17.026 -19.406 147 H LEU 17 H LEU 17 3.160 18.164 -18.460 148 HA LEU 17 HA LEU 17 3.254 18.625 -21.341 149 HB2 LEU 17 HB2 LEU 17 1.826 16.611 -19.600 150 HB3 LEU 17 HB3 LEU 17 1.261 16.881 -21.233 151 HG LEU 17 HG LEU 17 2.621 14.996 -21.435 152 HD11 LEU 17 HD11 LEU 17 3.146 16.600 -23.169 153 HD12 LEU 17 HD12 LEU 17 4.547 15.605 -22.784 154 HD13 LEU 17 HD13 LEU 17 4.458 17.267 -22.192 155 HD21 LEU 17 HD21 LEU 17 4.781 16.267 -19.743 156 HD22 LEU 17 HD22 LEU 17 4.855 14.675 -20.506 157 HD23 LEU 17 HD23 LEU 17 3.675 14.986 -19.240 158 H THR 18 H THR 18 1.163 19.519 -18.624 159 HA THR 18 HA THR 18 -0.996 20.413 -20.389 160 HB THR 18 HB THR 18 -2.151 21.097 -18.251 161 HG1 THR 18 HG1 THR 18 -0.436 19.667 -16.629 162 HG21 THR 18 HG21 THR 18 -2.561 18.856 -19.207 163 HG22 THR 18 HG22 THR 18 -2.597 18.797 -17.443 164 HG23 THR 18 HG23 THR 18 -1.180 18.213 -18.317 165 H GLU 19 H GLU 19 1.186 21.932 -17.991 166 HA GLU 19 HA GLU 19 0.588 24.615 -19.096 167 HB2 GLU 19 HB2 GLU 19 1.693 23.808 -16.378 168 HB3 GLU 19 HB3 GLU 19 1.440 25.470 -16.908 169 HG2 GLU 19 HG2 GLU 19 -0.995 25.027 -17.087 170 HG3 GLU 19 HG3 GLU 19 -0.723 23.384 -16.500 171 H GLY 20 H GLY 20 3.180 22.357 -18.427 172 HA2 GLY 20 HA2 GLY 20 5.360 22.397 -19.265 173 HA3 GLY 20 HA3 GLY 20 5.193 24.107 -19.627 174 H CYS 21 H CYS 21 6.075 25.489 -18.268 175 HA CYS 21 HA CYS 21 6.320 24.987 -15.405 176 HB2 CYS 21 HB2 CYS 21 8.771 25.587 -15.418 177 HB3 CYS 21 HB3 CYS 21 8.421 24.053 -16.210 178 H GLY 22 H GLY 22 5.180 26.908 -17.659 179 HA2 GLY 22 HA2 GLY 22 4.307 29.051 -17.336 180 HA3 GLY 22 HA3 GLY 22 5.538 29.390 -16.129 181 H ASN 23 H ASN 23 7.866 28.838 -17.439 182 HA ASN 23 HA ASN 23 8.315 31.159 -18.986 183 HB2 ASN 23 HB2 ASN 23 10.024 29.967 -17.548 184 HB3 ASN 23 HB3 ASN 23 10.130 28.720 -18.782 185 HD21 ASN 23 HD21 ASN 23 12.328 30.185 -17.915 186 HD22 ASN 23 HD22 ASN 23 12.904 31.165 -19.217 187 H GLU 24 H GLU 24 7.740 31.469 -21.046 188 HA GLU 24 HA GLU 24 7.010 29.388 -22.883 189 HB2 GLU 24 HB2 GLU 24 6.529 31.144 -24.484 190 HB3 GLU 24 HB3 GLU 24 5.916 31.638 -22.912 191 HG2 GLU 24 HG2 GLU 24 8.506 32.622 -24.162 192 HG3 GLU 24 HG3 GLU 24 6.967 33.476 -24.217 193 H ALA 25 H ALA 25 9.874 31.351 -22.374 194 HA ALA 25 HA ALA 25 11.276 30.420 -24.763 195 HB1 ALA 25 HB1 ALA 25 13.068 31.942 -23.998 196 HB2 ALA 25 HB2 ALA 25 12.183 32.245 -22.500 197 HB3 ALA 25 HB3 ALA 25 11.511 32.773 -24.042 198 H CYS 26 H CYS 26 10.601 28.294 -23.310 199 HA CYS 26 HA CYS 26 12.912 27.339 -21.751 200 HB2 CYS 26 HB2 CYS 26 10.709 27.106 -20.696 201 HB3 CYS 26 HB3 CYS 26 10.083 26.286 -22.107 202 H THR 27 H THR 27 14.320 25.952 -22.713 203 HA THR 27 HA THR 27 13.977 25.214 -25.511 204 HB THR 27 HB THR 27 16.367 24.466 -25.309 205 HG1 THR 27 HG1 THR 27 17.440 24.772 -23.348 206 HG21 THR 27 HG21 THR 27 15.865 27.245 -24.176 207 HG22 THR 27 HG22 THR 27 15.887 26.826 -25.891 208 HG23 THR 27 HG23 THR 27 17.360 26.685 -24.930 209 H ASN 28 H ASN 28 12.288 23.754 -23.594 210 HA ASN 28 HA ASN 28 13.221 20.964 -23.861 211 HB2 ASN 28 HB2 ASN 28 12.872 21.833 -21.510 212 HB3 ASN 28 HB3 ASN 28 11.186 22.129 -21.906 213 HD21 ASN 28 HD21 ASN 28 12.285 20.428 -19.816 214 HD22 ASN 28 HD22 ASN 28 11.682 18.833 -20.114 215 H GLU 29 H GLU 29 12.276 20.075 -25.587 216 HA GLU 29 HA GLU 29 9.966 21.050 -26.931 217 HB2 GLU 29 HB2 GLU 29 10.193 19.102 -28.428 218 HB3 GLU 29 HB3 GLU 29 11.726 19.930 -28.205 219 HG2 GLU 29 HG2 GLU 29 10.994 17.417 -26.672 220 HG3 GLU 29 HG3 GLU 29 11.757 17.371 -28.255 221 H PHE 30 H PHE 30 10.361 18.698 -24.397 222 HA PHE 30 HA PHE 30 7.667 17.556 -24.682 223 HB2 PHE 30 HB2 PHE 30 9.919 17.057 -22.678 224 HB3 PHE 30 HB3 PHE 30 8.351 16.261 -22.585 225 HD1 PHE 30 HD1 PHE 30 7.592 14.819 -24.551 226 HD2 PHE 30 HD2 PHE 30 11.634 16.159 -24.107 227 HE1 PHE 30 HE1 PHE 30 8.351 13.052 -26.084 228 HE2 PHE 30 HE2 PHE 30 12.379 14.379 -25.635 229 HZ PHE 30 HZ PHE 30 10.741 12.827 -26.624 230 H CYS 31 H CYS 31 8.070 20.474 -24.036 231 HA CYS 31 HA CYS 31 6.777 20.648 -21.365 232 HB2 CYS 31 HB2 CYS 31 9.150 21.344 -21.262 233 HB3 CYS 31 HB3 CYS 31 8.878 22.504 -22.543 234 H ALA 32 H ALA 32 4.881 21.686 -21.443 235 HA ALA 32 HA ALA 32 3.854 22.929 -23.793 236 HB1 ALA 32 HB1 ALA 32 2.399 21.653 -22.270 237 HB2 ALA 32 HB2 ALA 32 1.830 23.317 -22.439 238 HB3 ALA 32 HB3 ALA 32 2.703 22.826 -20.987 239 H SER 33 H SER 33 2.881 25.131 -23.728 240 HA SER 33 HA SER 33 3.127 27.357 -23.807 241 HB2 SER 33 HB2 SER 33 3.109 27.347 -21.316 242 HB3 SER 33 HB3 SER 33 4.852 27.107 -21.296 243 HG SER 33 HG SER 33 4.983 29.161 -22.435 244 H CYS 34 H CYS 34 5.551 25.199 -24.460 245 HA CYS 34 HA CYS 34 7.509 27.216 -25.354 246 HB2 CYS 34 HB2 CYS 34 7.707 24.175 -25.434 247 HB3 CYS 34 HB3 CYS 34 9.023 25.322 -25.696 248 HG CYS 34 HG CYS 34 7.352 24.896 -22.735 249 HA PRO 35 HA PRO 35 5.882 26.926 -29.556 250 HB2 PRO 35 HB2 PRO 35 7.952 27.950 -30.996 251 HB3 PRO 35 HB3 PRO 35 7.005 28.955 -29.885 252 HG2 PRO 35 HG2 PRO 35 9.681 27.634 -29.426 253 HG3 PRO 35 HG3 PRO 35 9.178 29.300 -29.059 254 HD2 PRO 35 HD2 PRO 35 9.230 27.313 -27.167 255 HD3 PRO 35 HD3 PRO 35 8.084 28.669 -27.101 256 H THR 36 H THR 36 8.417 25.021 -28.415 257 HA THR 36 HA THR 36 8.732 23.409 -30.849 258 HB THR 36 HB THR 36 10.592 22.320 -29.503 259 HG1 THR 36 HG1 THR 36 10.133 22.718 -27.401 260 HG21 THR 36 HG21 THR 36 12.156 24.229 -29.663 261 HG22 THR 36 HG22 THR 36 10.795 25.340 -29.825 262 HG23 THR 36 HG23 THR 36 11.113 24.145 -31.085 263 H PHE 37 H PHE 37 6.439 23.510 -28.669 264 HA PHE 37 HA PHE 37 6.196 20.576 -28.305 265 HB2 PHE 37 HB2 PHE 37 6.506 21.747 -26.142 266 HB3 PHE 37 HB3 PHE 37 5.141 22.793 -26.503 267 HD1 PHE 37 HD1 PHE 37 5.992 19.158 -26.094 268 HD2 PHE 37 HD2 PHE 37 3.006 22.182 -25.650 269 HE1 PHE 37 HE1 PHE 37 4.520 17.547 -24.976 270 HE2 PHE 37 HE2 PHE 37 1.539 20.559 -24.532 271 HZ PHE 37 HZ PHE 37 2.291 18.242 -24.187 272 H LEU 38 H LEU 38 4.089 19.705 -28.506 273 HA LEU 38 HA LEU 38 2.052 21.346 -29.919 274 HB2 LEU 38 HB2 LEU 38 2.931 19.562 -31.333 275 HB3 LEU 38 HB3 LEU 38 2.730 18.377 -30.054 276 HG LEU 38 HG LEU 38 0.256 18.585 -30.251 277 HD11 LEU 38 HD11 LEU 38 -0.763 19.796 -32.135 278 HD12 LEU 38 HD12 LEU 38 0.817 20.445 -32.581 279 HD13 LEU 38 HD13 LEU 38 0.080 20.893 -31.040 280 HD21 LEU 38 HD21 LEU 38 1.446 16.831 -31.512 281 HD22 LEU 38 HD22 LEU 38 1.631 17.928 -32.883 282 HD23 LEU 38 HD23 LEU 38 0.025 17.395 -32.388 283 H ARG 39 H ARG 39 0.509 21.921 -28.466 284 HA ARG 39 HA ARG 39 0.076 20.856 -25.925 285 HB2 ARG 39 HB2 ARG 39 -1.847 22.418 -27.696 286 HB3 ARG 39 HB3 ARG 39 -2.178 22.041 -26.010 287 HG2 ARG 39 HG2 ARG 39 0.163 23.703 -26.975 288 HG3 ARG 39 HG3 ARG 39 -1.360 24.359 -26.387 289 HD2 ARG 39 HD2 ARG 39 -0.905 23.189 -24.182 290 HD3 ARG 39 HD3 ARG 39 0.698 22.778 -24.804 291 HE ARG 39 HE ARG 39 0.926 25.312 -25.132 292 HH11 ARG 39 HH11 ARG 39 -0.814 23.869 -22.427 293 HH12 ARG 39 HH12 ARG 39 -0.619 25.263 -21.417 294 HH21 ARG 39 HH21 ARG 39 1.124 27.128 -23.781 295 HH22 ARG 39 HH22 ARG 39 0.449 27.098 -22.183 296 H MET 40 H MET 40 -1.319 19.390 -25.065 297 HA MET 40 HA MET 40 -2.905 17.650 -26.849 298 HB2 MET 40 HB2 MET 40 -2.045 15.668 -25.570 299 HB3 MET 40 HB3 MET 40 -0.796 16.492 -26.489 300 HG2 MET 40 HG2 MET 40 0.001 17.588 -24.409 301 HG3 MET 40 HG3 MET 40 -1.236 16.723 -23.498 302 HE1 MET 40 HE1 MET 40 0.948 15.298 -26.509 303 HE2 MET 40 HE2 MET 40 2.310 14.618 -25.618 304 HE3 MET 40 HE3 MET 40 2.060 16.364 -25.647 305 H ASP 41 H ASP 41 -4.401 16.262 -25.610 306 HA ASP 41 HA ASP 41 -6.039 17.746 -23.795 307 HB2 ASP 41 HB2 ASP 41 -7.017 16.162 -25.391 308 HB3 ASP 41 HB3 ASP 41 -6.100 14.827 -24.704 309 H ASN 42 H ASN 42 -6.715 16.901 -21.618 310 HA ASN 42 HA ASN 42 -4.556 16.642 -19.842 311 HB2 ASN 42 HB2 ASN 42 -6.247 16.374 -18.070 312 HB3 ASN 42 HB3 ASN 42 -6.716 17.650 -19.182 313 HD21 ASN 42 HD21 ASN 42 -8.417 17.189 -20.713 314 HD22 ASN 42 HD22 ASN 42 -9.588 15.971 -20.363 315 H ASN 43 H ASN 43 -6.768 14.156 -21.135 316 HA ASN 43 HA ASN 43 -5.716 11.977 -19.595 317 HB2 ASN 43 HB2 ASN 43 -7.328 11.948 -22.191 318 HB3 ASN 43 HB3 ASN 43 -6.954 10.516 -21.229 319 HD21 ASN 43 HD21 ASN 43 -8.868 13.426 -21.395 320 HD22 ASN 43 HD22 ASN 43 -9.940 13.033 -20.107 321 H ALA 44 H ALA 44 -5.076 13.286 -22.830 322 HA ALA 44 HA ALA 44 -3.150 11.368 -23.693 323 HB1 ALA 44 HB1 ALA 44 -2.548 13.032 -25.408 324 HB2 ALA 44 HB2 ALA 44 -3.472 14.269 -24.553 325 HB3 ALA 44 HB3 ALA 44 -4.302 12.886 -25.267 326 H ALA 45 H ALA 45 -2.972 14.234 -21.711 327 HA ALA 45 HA ALA 45 -0.117 14.539 -21.648 328 HB1 ALA 45 HB1 ALA 45 -0.557 16.199 -19.881 329 HB2 ALA 45 HB2 ALA 45 -2.247 15.688 -19.815 330 HB3 ALA 45 HB3 ALA 45 -1.615 16.453 -21.272 331 H ALA 46 H ALA 46 -2.536 12.808 -19.800 332 HA ALA 46 HA ALA 46 -0.865 12.023 -17.605 333 HB1 ALA 46 HB1 ALA 46 -3.469 10.818 -18.591 334 HB2 ALA 46 HB2 ALA 46 -3.315 12.108 -17.399 335 HB3 ALA 46 HB3 ALA 46 -2.706 10.492 -17.033 336 H ILE 47 H ILE 47 -1.783 10.589 -20.712 337 HA ILE 47 HA ILE 47 -0.479 8.074 -20.452 338 HB ILE 47 HB ILE 47 -1.170 9.695 -22.956 339 HG12 ILE 47 HG12 ILE 47 -3.153 8.995 -21.634 340 HG13 ILE 47 HG13 ILE 47 -3.110 8.164 -23.182 341 HG21 ILE 47 HG21 ILE 47 -0.870 7.603 -24.271 342 HG22 ILE 47 HG22 ILE 47 -0.239 6.797 -22.833 343 HG23 ILE 47 HG23 ILE 47 0.636 8.156 -23.539 344 HD11 ILE 47 HD11 ILE 47 -2.336 6.992 -20.505 345 HD12 ILE 47 HD12 ILE 47 -2.266 6.145 -22.052 346 HD13 ILE 47 HD13 ILE 47 -3.818 6.674 -21.406 347 H LYS 48 H LYS 48 0.518 11.171 -21.904 348 HA LYS 48 HA LYS 48 3.126 10.366 -22.695 349 HB2 LYS 48 HB2 LYS 48 1.773 12.351 -23.591 350 HB3 LYS 48 HB3 LYS 48 2.232 13.217 -22.132 351 HG2 LYS 48 HG2 LYS 48 3.707 13.891 -23.910 352 HG3 LYS 48 HG3 LYS 48 4.638 12.925 -22.762 353 HD2 LYS 48 HD2 LYS 48 4.529 10.983 -24.236 354 HD3 LYS 48 HD3 LYS 48 3.443 11.839 -25.333 355 HE2 LYS 48 HE2 LYS 48 5.286 13.486 -25.782 356 HE3 LYS 48 HE3 LYS 48 6.365 12.487 -24.804 357 HZ1 LYS 48 HZ1 LYS 48 6.021 10.673 -26.338 358 HZ2 LYS 48 HZ2 LYS 48 6.560 12.028 -27.191 359 HZ3 LYS 48 HZ3 LYS 48 4.930 11.588 -27.243 360 H ALA 49 H ALA 49 1.820 11.848 -19.764 361 HA ALA 49 HA ALA 49 4.188 12.492 -18.397 362 HB1 ALA 49 HB1 ALA 49 1.981 13.239 -17.598 363 HB2 ALA 49 HB2 ALA 49 2.855 12.385 -16.325 364 HB3 ALA 49 HB3 ALA 49 1.552 11.572 -17.198 365 H LEU 50 H LEU 50 2.336 9.489 -18.616 366 HA LEU 50 HA LEU 50 3.918 8.012 -16.744 367 HB2 LEU 50 HB2 LEU 50 1.418 7.641 -18.003 368 HB3 LEU 50 HB3 LEU 50 2.399 6.356 -18.662 369 HG LEU 50 HG LEU 50 1.161 5.536 -16.737 370 HD11 LEU 50 HD11 LEU 50 2.960 4.628 -15.349 371 HD12 LEU 50 HD12 LEU 50 4.098 5.796 -16.024 372 HD13 LEU 50 HD13 LEU 50 3.378 4.560 -17.058 373 HD21 LEU 50 HD21 LEU 50 2.505 7.715 -15.108 374 HD22 LEU 50 HD22 LEU 50 1.442 6.449 -14.485 375 HD23 LEU 50 HD23 LEU 50 0.804 7.669 -15.585 376 H GLU 51 H GLU 51 3.903 8.336 -20.276 377 HA GLU 51 HA GLU 51 5.824 6.407 -20.977 378 HB2 GLU 51 HB2 GLU 51 5.106 9.080 -22.241 379 HB3 GLU 51 HB3 GLU 51 6.269 7.983 -22.974 380 HG2 GLU 51 HG2 GLU 51 3.371 7.300 -22.420 381 HG3 GLU 51 HG3 GLU 51 3.983 7.876 -23.966 382 H LEU 52 H LEU 52 6.208 9.867 -20.344 383 HA LEU 52 HA LEU 52 9.031 9.932 -20.509 384 HB2 LEU 52 HB2 LEU 52 7.128 11.915 -19.224 385 HB3 LEU 52 HB3 LEU 52 8.817 12.218 -19.597 386 HG LEU 52 HG LEU 52 6.561 11.799 -21.597 387 HD11 LEU 52 HD11 LEU 52 8.263 14.241 -21.017 388 HD12 LEU 52 HD12 LEU 52 6.564 14.019 -20.598 389 HD13 LEU 52 HD13 LEU 52 7.044 14.112 -22.290 390 HD21 LEU 52 HD21 LEU 52 9.516 12.167 -22.208 391 HD22 LEU 52 HD22 LEU 52 8.209 12.184 -23.393 392 HD23 LEU 52 HD23 LEU 52 8.558 10.710 -22.495 393 H TYR 53 H TYR 53 6.810 9.230 -17.917 394 HA TYR 53 HA TYR 53 8.530 9.583 -15.697 395 HB2 TYR 53 HB2 TYR 53 6.176 9.442 -15.274 396 HB3 TYR 53 HB3 TYR 53 6.038 7.903 -16.114 397 HD1 TYR 53 HD1 TYR 53 7.852 9.377 -13.132 398 HD2 TYR 53 HD2 TYR 53 5.843 5.978 -14.784 399 HE1 TYR 53 HE1 TYR 53 8.068 8.190 -10.987 400 HE2 TYR 53 HE2 TYR 53 6.067 4.808 -12.642 401 HH TYR 53 HH TYR 53 7.609 4.926 -10.620 402 H LYS 54 H LYS 54 7.676 6.681 -17.585 403 HA LYS 54 HA LYS 54 9.259 4.955 -15.938 404 HB2 LYS 54 HB2 LYS 54 8.670 3.183 -17.593 405 HB3 LYS 54 HB3 LYS 54 7.280 4.049 -16.956 406 HG2 LYS 54 HG2 LYS 54 7.167 5.380 -19.045 407 HG3 LYS 54 HG3 LYS 54 8.526 4.456 -19.694 408 HD2 LYS 54 HD2 LYS 54 7.229 2.401 -19.670 409 HD3 LYS 54 HD3 LYS 54 5.904 3.179 -18.801 410 HE2 LYS 54 HE2 LYS 54 5.432 2.863 -21.229 411 HE3 LYS 54 HE3 LYS 54 5.377 4.552 -20.729 412 HZ1 LYS 54 HZ1 LYS 54 7.665 3.243 -22.095 413 HZ2 LYS 54 HZ2 LYS 54 7.577 4.874 -21.647 414 HZ3 LYS 54 HZ3 LYS 54 6.528 4.265 -22.825 415 H ILE 55 H ILE 55 9.886 6.720 -18.909 416 HA ILE 55 HA ILE 55 12.465 5.379 -19.359 417 HB ILE 55 HB ILE 55 12.701 6.789 -21.335 418 HG12 ILE 55 HG12 ILE 55 10.185 8.264 -20.414 419 HG13 ILE 55 HG13 ILE 55 11.808 8.938 -20.438 420 HG21 ILE 55 HG21 ILE 55 9.845 5.735 -21.116 421 HG22 ILE 55 HG22 ILE 55 11.269 4.783 -21.545 422 HG23 ILE 55 HG23 ILE 55 10.706 6.057 -22.626 423 HD11 ILE 55 HD11 ILE 55 10.170 8.130 -22.838 424 HD12 ILE 55 HD12 ILE 55 11.817 8.766 -22.891 425 HD13 ILE 55 HD13 ILE 55 10.502 9.768 -22.280 426 H ASN 56 H ASN 56 11.298 7.970 -17.490 427 HA ASN 56 HA ASN 56 12.126 9.712 -16.341 428 HB2 ASN 56 HB2 ASN 56 14.701 8.107 -16.495 429 HB3 ASN 56 HB3 ASN 56 14.569 9.597 -15.567 430 HD21 ASN 56 HD21 ASN 56 12.296 6.840 -15.883 431 HD22 ASN 56 HD22 ASN 56 12.255 6.473 -14.201 432 H ALA 57 H ALA 57 11.598 10.793 -18.430 433 HA ALA 57 HA ALA 57 13.699 11.843 -20.071 434 HB1 ALA 57 HB1 ALA 57 10.784 12.666 -19.840 435 HB2 ALA 57 HB2 ALA 57 11.437 11.470 -20.961 436 HB3 ALA 57 HB3 ALA 57 11.901 13.166 -21.117 437 H LYS 58 H LYS 58 13.479 14.369 -20.426 438 HA LYS 58 HA LYS 58 14.690 15.631 -18.188 439 HB2 LYS 58 HB2 LYS 58 14.750 17.644 -19.746 440 HB3 LYS 58 HB3 LYS 58 15.480 16.171 -20.380 441 HG2 LYS 58 HG2 LYS 58 13.213 15.749 -21.544 442 HG3 LYS 58 HG3 LYS 58 12.841 17.430 -21.167 443 HD2 LYS 58 HD2 LYS 58 15.221 16.479 -22.809 444 HD3 LYS 58 HD3 LYS 58 13.726 17.146 -23.465 445 HE2 LYS 58 HE2 LYS 58 14.212 19.277 -22.218 446 HE3 LYS 58 HE3 LYS 58 15.777 18.596 -21.765 447 HZ1 LYS 58 HZ1 LYS 58 14.838 19.032 -24.552 448 HZ2 LYS 58 HZ2 LYS 58 16.352 18.429 -24.101 449 HZ3 LYS 58 HZ3 LYS 58 15.930 20.020 -23.717 450 H LEU 59 H LEU 59 13.643 16.432 -16.493 451 HA LEU 59 HA LEU 59 10.967 17.634 -16.739 452 HB2 LEU 59 HB2 LEU 59 12.492 16.407 -14.473 453 HB3 LEU 59 HB3 LEU 59 11.490 17.775 -14.044 454 HG LEU 59 HG LEU 59 10.519 15.208 -15.341 455 HD11 LEU 59 HD11 LEU 59 11.133 14.887 -12.989 456 HD12 LEU 59 HD12 LEU 59 9.388 14.772 -13.203 457 HD13 LEU 59 HD13 LEU 59 10.096 16.238 -12.517 458 HD21 LEU 59 HD21 LEU 59 8.925 17.650 -14.461 459 HD22 LEU 59 HD22 LEU 59 8.238 16.116 -14.999 460 HD23 LEU 59 HD23 LEU 59 9.169 17.098 -16.125 461 H CYS 60 H CYS 60 10.560 19.707 -16.317 462 HA CYS 60 HA CYS 60 12.683 21.654 -15.867 463 HB2 CYS 60 HB2 CYS 60 9.663 22.012 -15.993 464 HB3 CYS 60 HB3 CYS 60 10.869 23.305 -16.040 465 H ASP 61 H ASP 61 10.216 19.949 -14.151 466 HA ASP 61 HA ASP 61 10.003 21.646 -11.868 467 HB2 ASP 61 HB2 ASP 61 9.030 18.827 -12.384 468 HB3 ASP 61 HB3 ASP 61 8.592 19.779 -10.970 469 HA PRO 62 HA PRO 62 13.293 19.742 -9.322 470 HB2 PRO 62 HB2 PRO 62 12.262 20.486 -6.846 471 HB3 PRO 62 HB3 PRO 62 13.237 21.543 -7.876 472 HG2 PRO 62 HG2 PRO 62 10.242 21.428 -7.568 473 HG3 PRO 62 HG3 PRO 62 11.307 22.848 -7.677 474 HD2 PRO 62 HD2 PRO 62 9.865 21.970 -9.797 475 HD3 PRO 62 HD3 PRO 62 11.476 22.682 -10.009 476 H HIS 63 H HIS 63 13.492 17.748 -8.363 477 HA HIS 63 HA HIS 63 11.365 15.865 -8.511 478 HB2 HIS 63 HB2 HIS 63 14.061 15.626 -7.100 479 HB3 HIS 63 HB3 HIS 63 12.976 14.284 -7.436 480 HD1 HIS 63 HD1 HIS 63 15.708 16.252 -8.897 481 HD2 HIS 63 HD2 HIS 63 12.725 13.711 -10.297 482 HE1 HIS 63 HE1 HIS 63 16.417 15.573 -11.203 483 HE2 HIS 63 HE2 HIS 63 14.548 14.144 -12.071 484 HA PRO 64 HA PRO 64 9.565 16.859 -4.420 485 HB2 PRO 64 HB2 PRO 64 7.854 14.452 -4.905 486 HB3 PRO 64 HB3 PRO 64 7.375 16.133 -4.647 487 HG2 PRO 64 HG2 PRO 64 7.182 14.977 -7.080 488 HG3 PRO 64 HG3 PRO 64 7.635 16.689 -6.904 489 HD2 PRO 64 HD2 PRO 64 9.418 14.293 -7.391 490 HD3 PRO 64 HD3 PRO 64 9.435 15.894 -8.176 Start of MODEL 5 1 H MET 1 H MET 1 2.504 0.225 -7.393 2 HA MET 1 HA MET 1 5.205 1.135 -6.599 3 HB2 MET 1 HB2 MET 1 5.033 2.715 -8.525 4 HB3 MET 1 HB3 MET 1 5.047 1.032 -9.033 5 HG2 MET 1 HG2 MET 1 2.559 2.754 -8.838 6 HG3 MET 1 HG3 MET 1 3.451 2.416 -10.324 7 HE1 MET 1 HE1 MET 1 0.290 1.861 -10.058 8 HE2 MET 1 HE2 MET 1 0.180 0.279 -10.826 9 HE3 MET 1 HE3 MET 1 1.218 1.524 -11.519 10 H LYS 2 H LYS 2 2.960 1.050 -4.848 11 HA LYS 2 HA LYS 2 1.723 3.616 -4.588 12 HB2 LYS 2 HB2 LYS 2 2.101 1.388 -2.540 13 HB3 LYS 2 HB3 LYS 2 1.145 2.841 -2.259 14 HG2 LYS 2 HG2 LYS 2 -0.302 2.179 -4.219 15 HG3 LYS 2 HG3 LYS 2 0.593 0.659 -4.290 16 HD2 LYS 2 HD2 LYS 2 -1.511 0.347 -3.062 17 HD3 LYS 2 HD3 LYS 2 -0.130 0.112 -1.988 18 HE2 LYS 2 HE2 LYS 2 -1.930 1.418 -0.893 19 HE3 LYS 2 HE3 LYS 2 -0.449 2.365 -1.048 20 HZ1 LYS 2 HZ1 LYS 2 -2.781 2.541 -2.875 21 HZ2 LYS 2 HZ2 LYS 2 -1.381 3.489 -2.947 22 HZ3 LYS 2 HZ3 LYS 2 -2.429 3.627 -1.630 23 H ARG 3 H ARG 3 3.257 5.188 -4.679 24 HA ARG 3 HA ARG 3 4.942 5.644 -2.323 25 HB2 ARG 3 HB2 ARG 3 6.462 4.429 -3.832 26 HB3 ARG 3 HB3 ARG 3 6.026 5.473 -5.178 27 HG2 ARG 3 HG2 ARG 3 7.099 7.393 -4.019 28 HG3 ARG 3 HG3 ARG 3 7.562 6.320 -2.697 29 HD2 ARG 3 HD2 ARG 3 8.464 6.037 -5.581 30 HD3 ARG 3 HD3 ARG 3 9.428 6.747 -4.282 31 HE ARG 3 HE ARG 3 8.483 3.995 -3.914 32 HH11 ARG 3 HH11 ARG 3 11.186 6.090 -4.693 33 HH12 ARG 3 HH12 ARG 3 12.365 4.837 -4.492 34 HH21 ARG 3 HH21 ARG 3 10.041 2.396 -3.584 35 HH22 ARG 3 HH22 ARG 3 11.718 2.750 -3.843 36 H ALA 4 H ALA 4 4.792 7.745 -1.760 37 HA ALA 4 HA ALA 4 3.152 9.607 -3.118 38 HB1 ALA 4 HB1 ALA 4 3.887 11.222 -1.415 39 HB2 ALA 4 HB2 ALA 4 5.179 10.123 -0.919 40 HB3 ALA 4 HB3 ALA 4 3.491 9.664 -0.688 41 H ALA 5 H ALA 5 6.685 9.281 -2.918 42 HA ALA 5 HA ALA 5 7.418 11.597 -4.364 43 HB1 ALA 5 HB1 ALA 5 9.004 10.341 -2.951 44 HB2 ALA 5 HB2 ALA 5 9.628 10.550 -4.588 45 HB3 ALA 5 HB3 ALA 5 8.960 8.993 -4.090 46 H ALA 6 H ALA 6 6.473 8.366 -5.421 47 HA ALA 6 HA ALA 6 7.301 8.610 -8.162 48 HB1 ALA 6 HB1 ALA 6 6.058 6.514 -8.515 49 HB2 ALA 6 HB2 ALA 6 5.356 6.647 -6.900 50 HB3 ALA 6 HB3 ALA 6 7.092 6.403 -7.088 51 H LYS 7 H LYS 7 4.174 8.809 -6.452 52 HA LYS 7 HA LYS 7 2.488 9.393 -8.621 53 HB2 LYS 7 HB2 LYS 7 1.541 8.734 -6.493 54 HB3 LYS 7 HB3 LYS 7 2.305 10.078 -5.657 55 HG2 LYS 7 HG2 LYS 7 -0.128 10.415 -5.919 56 HG3 LYS 7 HG3 LYS 7 0.798 11.671 -6.740 57 HD2 LYS 7 HD2 LYS 7 0.444 10.448 -8.912 58 HD3 LYS 7 HD3 LYS 7 -0.567 9.285 -8.051 59 HE2 LYS 7 HE2 LYS 7 -2.178 11.026 -7.497 60 HE3 LYS 7 HE3 LYS 7 -1.140 12.265 -8.206 61 HZ1 LYS 7 HZ1 LYS 7 -1.444 11.276 -10.358 62 HZ2 LYS 7 HZ2 LYS 7 -2.959 11.592 -9.675 63 HZ3 LYS 7 HZ3 LYS 7 -2.356 10.013 -9.704 64 H HIS 8 H HIS 8 4.260 11.544 -6.439 65 HA HIS 8 HA HIS 8 3.388 13.970 -7.669 66 HB2 HIS 8 HB2 HIS 8 5.463 13.373 -5.542 67 HB3 HIS 8 HB3 HIS 8 5.308 14.988 -6.232 68 HD1 HIS 8 HD1 HIS 8 3.374 16.429 -5.451 69 HD2 HIS 8 HD2 HIS 8 3.106 12.536 -4.036 70 HE1 HIS 8 HE1 HIS 8 1.535 16.448 -3.757 71 HE2 HIS 8 HE2 HIS 8 1.298 14.055 -3.023 72 H LEU 9 H LEU 9 6.022 11.755 -8.313 73 HA LEU 9 HA LEU 9 7.621 13.515 -9.910 74 HB2 LEU 9 HB2 LEU 9 7.854 10.863 -8.971 75 HB3 LEU 9 HB3 LEU 9 7.739 10.664 -10.701 76 HG LEU 9 HG LEU 9 10.086 10.729 -9.936 77 HD11 LEU 9 HD11 LEU 9 9.368 13.144 -11.618 78 HD12 LEU 9 HD12 LEU 9 9.615 11.497 -12.205 79 HD13 LEU 9 HD13 LEU 9 10.960 12.391 -11.501 80 HD21 LEU 9 HD21 LEU 9 9.517 13.571 -9.017 81 HD22 LEU 9 HD22 LEU 9 11.084 12.754 -9.004 82 HD23 LEU 9 HD23 LEU 9 9.787 12.178 -7.960 83 H ILE 10 H ILE 10 5.126 11.109 -10.673 84 HA ILE 10 HA ILE 10 4.879 11.513 -13.456 85 HB ILE 10 HB ILE 10 2.767 10.640 -11.420 86 HG12 ILE 10 HG12 ILE 10 4.471 8.864 -13.233 87 HG13 ILE 10 HG13 ILE 10 4.879 9.216 -11.560 88 HG21 ILE 10 HG21 ILE 10 1.556 9.589 -13.318 89 HG22 ILE 10 HG22 ILE 10 2.716 10.285 -14.451 90 HG23 ILE 10 HG23 ILE 10 1.661 11.340 -13.509 91 HD11 ILE 10 HD11 ILE 10 2.419 7.753 -12.515 92 HD12 ILE 10 HD12 ILE 10 2.819 8.104 -10.829 93 HD13 ILE 10 HD13 ILE 10 3.856 7.042 -11.781 94 H GLU 11 H GLU 11 3.438 13.102 -10.668 95 HA GLU 11 HA GLU 11 1.576 14.823 -11.867 96 HB2 GLU 11 HB2 GLU 11 1.613 14.363 -9.469 97 HB3 GLU 11 HB3 GLU 11 3.212 15.075 -9.333 98 HG2 GLU 11 HG2 GLU 11 2.194 17.296 -9.956 99 HG3 GLU 11 HG3 GLU 11 0.603 16.536 -9.845 100 H ARG 12 H ARG 12 5.066 15.158 -11.371 101 HA ARG 12 HA ARG 12 5.249 17.901 -12.184 102 HB2 ARG 12 HB2 ARG 12 7.426 15.767 -12.085 103 HB3 ARG 12 HB3 ARG 12 7.707 17.497 -12.285 104 HG2 ARG 12 HG2 ARG 12 6.675 17.917 -10.090 105 HG3 ARG 12 HG3 ARG 12 6.408 16.198 -9.891 106 HD2 ARG 12 HD2 ARG 12 8.890 15.842 -10.007 107 HD3 ARG 12 HD3 ARG 12 9.087 17.603 -10.020 108 HE ARG 12 HE ARG 12 7.563 17.261 -7.853 109 HH11 ARG 12 HH11 ARG 12 10.561 15.725 -8.781 110 HH12 ARG 12 HH12 ARG 12 10.993 15.310 -7.154 111 HH21 ARG 12 HH21 ARG 12 8.139 16.718 -5.724 112 HH22 ARG 12 HH22 ARG 12 9.626 15.870 -5.430 113 H TYR 13 H TYR 13 5.670 14.802 -13.881 114 HA TYR 13 HA TYR 13 6.375 15.910 -16.414 115 HB2 TYR 13 HB2 TYR 13 5.244 13.213 -15.597 116 HB3 TYR 13 HB3 TYR 13 5.548 13.607 -17.286 117 HD1 TYR 13 HD1 TYR 13 7.993 14.411 -17.869 118 HD2 TYR 13 HD2 TYR 13 7.002 12.209 -14.333 119 HE1 TYR 13 HE1 TYR 13 10.323 13.671 -17.671 120 HE2 TYR 13 HE2 TYR 13 9.333 11.480 -14.148 121 HH TYR 13 HH TYR 13 11.275 11.172 -15.652 122 H TYR 14 H TYR 14 3.273 15.113 -14.915 123 HA TYR 14 HA TYR 14 1.615 15.518 -17.194 124 HB2 TYR 14 HB2 TYR 14 0.855 14.188 -15.235 125 HB3 TYR 14 HB3 TYR 14 0.907 15.631 -14.224 126 HD1 TYR 14 HD1 TYR 14 -0.767 14.205 -17.256 127 HD2 TYR 14 HD2 TYR 14 -1.053 17.044 -14.070 128 HE1 TYR 14 HE1 TYR 14 -3.070 14.706 -17.902 129 HE2 TYR 14 HE2 TYR 14 -3.366 17.539 -14.726 130 HH TYR 14 HH TYR 14 -5.083 15.597 -16.953 131 H HIS 15 H HIS 15 2.470 17.519 -14.402 132 HA HIS 15 HA HIS 15 1.080 19.876 -15.038 133 HB2 HIS 15 HB2 HIS 15 2.063 19.391 -12.790 134 HB3 HIS 15 HB3 HIS 15 3.680 19.561 -13.465 135 HD1 HIS 15 HD1 HIS 15 4.256 22.073 -14.368 136 HD2 HIS 15 HD2 HIS 15 0.987 21.739 -11.823 137 HE1 HIS 15 HE1 HIS 15 3.775 24.390 -13.583 138 HE2 HIS 15 HE2 HIS 15 1.725 24.187 -12.152 139 H GLN 16 H GLN 16 4.233 18.656 -15.965 140 HA GLN 16 HA GLN 16 5.360 20.912 -17.181 141 HB2 GLN 16 HB2 GLN 16 6.645 18.926 -16.591 142 HB3 GLN 16 HB3 GLN 16 5.708 17.934 -17.702 143 HG2 GLN 16 HG2 GLN 16 6.704 19.020 -19.611 144 HG3 GLN 16 HG3 GLN 16 7.522 20.196 -18.585 145 HE21 GLN 16 HE21 GLN 16 7.476 16.822 -19.578 146 HE22 GLN 16 HE22 GLN 16 9.067 16.445 -19.027 147 H LEU 17 H LEU 17 3.294 18.332 -18.508 148 HA LEU 17 HA LEU 17 3.413 19.323 -21.230 149 HB2 LEU 17 HB2 LEU 17 1.633 17.189 -19.997 150 HB3 LEU 17 HB3 LEU 17 1.864 17.467 -21.717 151 HG LEU 17 HG LEU 17 4.062 16.582 -19.805 152 HD11 LEU 17 HD11 LEU 17 2.392 14.815 -20.047 153 HD12 LEU 17 HD12 LEU 17 3.905 14.365 -20.831 154 HD13 LEU 17 HD13 LEU 17 2.535 14.904 -21.805 155 HD21 LEU 17 HD21 LEU 17 4.121 16.752 -22.836 156 HD22 LEU 17 HD22 LEU 17 5.406 16.121 -21.808 157 HD23 LEU 17 HD23 LEU 17 4.974 17.826 -21.722 158 H THR 18 H THR 18 0.927 19.371 -18.646 159 HA THR 18 HA THR 18 -1.079 20.570 -20.386 160 HB THR 18 HB THR 18 -2.526 20.544 -18.296 161 HG1 THR 18 HG1 THR 18 -1.625 19.216 -16.546 162 HG21 THR 18 HG21 THR 18 -1.240 17.887 -19.017 163 HG22 THR 18 HG22 THR 18 -2.573 18.653 -19.886 164 HG23 THR 18 HG23 THR 18 -2.801 18.099 -18.226 165 H GLU 19 H GLU 19 0.463 21.515 -17.293 166 HA GLU 19 HA GLU 19 -0.699 24.166 -17.370 167 HB2 GLU 19 HB2 GLU 19 1.346 23.031 -15.423 168 HB3 GLU 19 HB3 GLU 19 0.358 24.464 -15.175 169 HG2 GLU 19 HG2 GLU 19 -0.675 21.620 -15.394 170 HG3 GLU 19 HG3 GLU 19 -0.451 22.510 -13.888 171 H GLY 20 H GLY 20 2.505 22.749 -17.757 172 HA2 GLY 20 HA2 GLY 20 4.289 23.537 -19.013 173 HA3 GLY 20 HA3 GLY 20 3.550 25.132 -19.087 174 H CYS 21 H CYS 21 5.564 26.017 -18.547 175 HA CYS 21 HA CYS 21 6.084 26.087 -15.625 176 HB2 CYS 21 HB2 CYS 21 8.530 26.402 -16.191 177 HB3 CYS 21 HB3 CYS 21 7.892 24.817 -16.626 178 H GLY 22 H GLY 22 4.962 27.853 -18.164 179 HA2 GLY 22 HA2 GLY 22 4.342 30.069 -18.229 180 HA3 GLY 22 HA3 GLY 22 5.278 30.365 -16.777 181 H ASN 23 H ASN 23 7.789 29.330 -17.987 182 HA ASN 23 HA ASN 23 8.907 31.760 -18.740 183 HB2 ASN 23 HB2 ASN 23 10.188 29.917 -17.690 184 HB3 ASN 23 HB3 ASN 23 10.044 28.964 -19.166 185 HD21 ASN 23 HD21 ASN 23 11.309 29.567 -20.986 186 HD22 ASN 23 HD22 ASN 23 12.667 30.626 -20.841 187 H GLU 24 H GLU 24 9.483 32.694 -20.659 188 HA GLU 24 HA GLU 24 7.958 32.314 -22.967 189 HB2 GLU 24 HB2 GLU 24 9.025 34.457 -22.285 190 HB3 GLU 24 HB3 GLU 24 10.611 33.775 -22.610 191 HG2 GLU 24 HG2 GLU 24 10.148 35.160 -24.467 192 HG3 GLU 24 HG3 GLU 24 9.860 33.524 -25.048 193 H ALA 25 H ALA 25 11.569 32.025 -22.990 194 HA ALA 25 HA ALA 25 11.365 30.049 -25.177 195 HB1 ALA 25 HB1 ALA 25 12.759 32.020 -25.607 196 HB2 ALA 25 HB2 ALA 25 13.741 30.553 -25.596 197 HB3 ALA 25 HB3 ALA 25 13.761 31.643 -24.206 198 H CYS 26 H CYS 26 10.647 28.415 -23.685 199 HA CYS 26 HA CYS 26 12.488 27.352 -21.713 200 HB2 CYS 26 HB2 CYS 26 10.178 27.118 -21.148 201 HB3 CYS 26 HB3 CYS 26 9.780 26.430 -22.721 202 H THR 27 H THR 27 13.957 25.737 -22.001 203 HA THR 27 HA THR 27 14.460 24.862 -24.761 204 HB THR 27 HB THR 27 16.289 26.026 -23.697 205 HG1 THR 27 HG1 THR 27 17.103 23.318 -23.667 206 HG21 THR 27 HG21 THR 27 15.784 25.582 -21.320 207 HG22 THR 27 HG22 THR 27 17.470 25.221 -21.703 208 HG23 THR 27 HG23 THR 27 16.303 23.907 -21.522 209 H ASN 28 H ASN 28 12.383 23.405 -24.022 210 HA ASN 28 HA ASN 28 13.440 20.707 -24.126 211 HB2 ASN 28 HB2 ASN 28 13.216 20.906 -21.694 212 HB3 ASN 28 HB3 ASN 28 11.565 21.493 -21.849 213 HD21 ASN 28 HD21 ASN 28 10.966 19.763 -20.419 214 HD22 ASN 28 HD22 ASN 28 10.777 18.154 -21.010 215 H GLU 29 H GLU 29 12.422 19.826 -25.759 216 HA GLU 29 HA GLU 29 10.149 20.773 -27.084 217 HB2 GLU 29 HB2 GLU 29 10.234 18.553 -28.280 218 HB3 GLU 29 HB3 GLU 29 11.767 19.419 -28.223 219 HG2 GLU 29 HG2 GLU 29 12.456 17.962 -26.284 220 HG3 GLU 29 HG3 GLU 29 10.974 17.038 -26.511 221 H PHE 30 H PHE 30 10.442 18.278 -24.575 222 HA PHE 30 HA PHE 30 7.572 17.646 -24.589 223 HB2 PHE 30 HB2 PHE 30 9.842 16.578 -22.831 224 HB3 PHE 30 HB3 PHE 30 8.179 15.995 -22.802 225 HD1 PHE 30 HD1 PHE 30 7.215 15.140 -25.112 226 HD2 PHE 30 HD2 PHE 30 11.394 15.455 -24.222 227 HE1 PHE 30 HE1 PHE 30 7.721 13.513 -26.883 228 HE2 PHE 30 HE2 PHE 30 11.884 13.828 -25.993 229 HZ PHE 30 HZ PHE 30 10.055 12.856 -27.324 230 H CYS 31 H CYS 31 7.412 20.144 -24.066 231 HA CYS 31 HA CYS 31 6.579 20.372 -21.320 232 HB2 CYS 31 HB2 CYS 31 9.082 20.845 -21.151 233 HB3 CYS 31 HB3 CYS 31 8.838 22.232 -22.195 234 H ALA 32 H ALA 32 4.823 21.717 -21.328 235 HA ALA 32 HA ALA 32 4.215 23.519 -23.476 236 HB1 ALA 32 HB1 ALA 32 3.007 23.283 -20.695 237 HB2 ALA 32 HB2 ALA 32 2.422 22.495 -22.159 238 HB3 ALA 32 HB3 ALA 32 2.346 24.252 -22.013 239 H SER 33 H SER 33 3.861 25.911 -22.999 240 HA SER 33 HA SER 33 4.880 27.913 -22.901 241 HB2 SER 33 HB2 SER 33 6.714 26.851 -20.709 242 HB3 SER 33 HB3 SER 33 6.408 28.545 -21.107 243 HG SER 33 HG SER 33 4.065 27.546 -20.686 244 H CYS 34 H CYS 34 6.087 25.231 -24.161 245 HA CYS 34 HA CYS 34 8.305 26.670 -25.479 246 HB2 CYS 34 HB2 CYS 34 7.695 23.676 -25.499 247 HB3 CYS 34 HB3 CYS 34 9.110 24.461 -26.207 248 HG CYS 34 HG CYS 34 10.492 23.863 -24.160 249 HA PRO 35 HA PRO 35 5.368 26.905 -28.993 250 HB2 PRO 35 HB2 PRO 35 7.185 27.595 -30.958 251 HB3 PRO 35 HB3 PRO 35 6.570 28.748 -29.766 252 HG2 PRO 35 HG2 PRO 35 9.148 27.173 -29.707 253 HG3 PRO 35 HG3 PRO 35 8.899 28.910 -29.412 254 HD2 PRO 35 HD2 PRO 35 9.160 27.184 -27.364 255 HD3 PRO 35 HD3 PRO 35 8.013 28.539 -27.261 256 H THR 36 H THR 36 8.167 24.877 -28.766 257 HA THR 36 HA THR 36 7.813 23.258 -31.095 258 HB THR 36 HB THR 36 9.471 21.748 -29.968 259 HG1 THR 36 HG1 THR 36 8.979 21.920 -27.817 260 HG21 THR 36 HG21 THR 36 11.337 23.359 -29.843 261 HG22 THR 36 HG22 THR 36 10.193 24.701 -29.773 262 HG23 THR 36 HG23 THR 36 10.303 23.711 -31.230 263 H PHE 37 H PHE 37 6.395 23.278 -27.910 264 HA PHE 37 HA PHE 37 5.546 20.516 -27.896 265 HB2 PHE 37 HB2 PHE 37 5.953 21.695 -25.772 266 HB3 PHE 37 HB3 PHE 37 4.692 22.864 -26.147 267 HD1 PHE 37 HD1 PHE 37 5.255 19.207 -25.550 268 HD2 PHE 37 HD2 PHE 37 2.447 22.436 -25.437 269 HE1 PHE 37 HE1 PHE 37 3.606 17.746 -24.463 270 HE2 PHE 37 HE2 PHE 37 0.808 20.966 -24.351 271 HZ PHE 37 HZ PHE 37 1.384 18.621 -23.863 272 H LEU 38 H LEU 38 3.883 19.764 -29.107 273 HA LEU 38 HA LEU 38 1.718 21.443 -30.063 274 HB2 LEU 38 HB2 LEU 38 2.507 19.566 -31.430 275 HB3 LEU 38 HB3 LEU 38 2.133 18.429 -30.143 276 HG LEU 38 HG LEU 38 -0.306 18.991 -30.394 277 HD11 LEU 38 HD11 LEU 38 -1.109 20.242 -32.343 278 HD12 LEU 38 HD12 LEU 38 0.549 20.614 -32.816 279 HD13 LEU 38 HD13 LEU 38 -0.109 21.264 -31.312 280 HD21 LEU 38 HD21 LEU 38 -0.682 17.757 -32.480 281 HD22 LEU 38 HD22 LEU 38 0.614 17.019 -31.541 282 HD23 LEU 38 HD23 LEU 38 1.001 18.004 -32.956 283 H ARG 39 H ARG 39 -0.096 21.870 -28.942 284 HA ARG 39 HA ARG 39 -0.596 20.971 -26.334 285 HB2 ARG 39 HB2 ARG 39 -2.298 22.433 -28.374 286 HB3 ARG 39 HB3 ARG 39 -2.970 21.955 -26.819 287 HG2 ARG 39 HG2 ARG 39 -0.541 23.740 -27.188 288 HG3 ARG 39 HG3 ARG 39 -2.173 24.298 -26.806 289 HD2 ARG 39 HD2 ARG 39 -2.127 23.072 -24.675 290 HD3 ARG 39 HD3 ARG 39 -0.531 22.417 -25.056 291 HE ARG 39 HE ARG 39 -0.398 25.222 -25.128 292 HH11 ARG 39 HH11 ARG 39 -0.835 22.651 -22.758 293 HH12 ARG 39 HH12 ARG 39 -0.134 23.574 -21.474 294 HH21 ARG 39 HH21 ARG 39 0.542 26.375 -23.424 295 HH22 ARG 39 HH22 ARG 39 0.642 25.662 -21.847 296 H MET 40 H MET 40 -0.898 18.929 -25.917 297 HA MET 40 HA MET 40 -2.660 17.175 -27.477 298 HB2 MET 40 HB2 MET 40 -1.695 15.384 -26.101 299 HB3 MET 40 HB3 MET 40 -0.415 16.350 -26.804 300 HG2 MET 40 HG2 MET 40 -0.498 17.619 -24.477 301 HG3 MET 40 HG3 MET 40 -1.247 16.124 -23.926 302 HE1 MET 40 HE1 MET 40 0.480 14.171 -26.115 303 HE2 MET 40 HE2 MET 40 0.034 13.665 -24.485 304 HE3 MET 40 HE3 MET 40 1.718 13.591 -25.003 305 H ASP 41 H ASP 41 -4.109 15.728 -26.103 306 HA ASP 41 HA ASP 41 -5.901 17.278 -24.478 307 HB2 ASP 41 HB2 ASP 41 -6.653 15.434 -26.013 308 HB3 ASP 41 HB3 ASP 41 -5.828 14.258 -24.992 309 H ASN 42 H ASN 42 -6.562 16.559 -22.256 310 HA ASN 42 HA ASN 42 -4.393 16.504 -20.431 311 HB2 ASN 42 HB2 ASN 42 -6.143 16.341 -18.673 312 HB3 ASN 42 HB3 ASN 42 -6.528 17.578 -19.864 313 HD21 ASN 42 HD21 ASN 42 -8.254 17.178 -21.347 314 HD22 ASN 42 HD22 ASN 42 -9.463 15.985 -21.022 315 H ASN 43 H ASN 43 -6.599 13.956 -21.598 316 HA ASN 43 HA ASN 43 -5.651 11.840 -19.948 317 HB2 ASN 43 HB2 ASN 43 -7.801 11.739 -21.217 318 HB3 ASN 43 HB3 ASN 43 -6.916 11.673 -22.722 319 HD21 ASN 43 HD21 ASN 43 -7.737 9.876 -19.830 320 HD22 ASN 43 HD22 ASN 43 -7.310 8.322 -20.444 321 H ALA 44 H ALA 44 -4.825 12.989 -23.187 322 HA ALA 44 HA ALA 44 -2.870 11.118 -23.926 323 HB1 ALA 44 HB1 ALA 44 -3.944 12.708 -25.482 324 HB2 ALA 44 HB2 ALA 44 -2.184 12.798 -25.585 325 HB3 ALA 44 HB3 ALA 44 -3.084 14.045 -24.718 326 H ALA 45 H ALA 45 -2.656 14.117 -22.086 327 HA ALA 45 HA ALA 45 0.198 14.198 -21.855 328 HB1 ALA 45 HB1 ALA 45 -1.170 16.242 -21.773 329 HB2 ALA 45 HB2 ALA 45 -0.209 16.062 -20.305 330 HB3 ALA 45 HB3 ALA 45 -1.934 15.680 -20.285 331 H ALA 46 H ALA 46 -2.433 12.788 -20.002 332 HA ALA 46 HA ALA 46 -0.925 12.168 -17.646 333 HB1 ALA 46 HB1 ALA 46 -2.841 10.751 -17.036 334 HB2 ALA 46 HB2 ALA 46 -3.511 10.946 -18.659 335 HB3 ALA 46 HB3 ALA 46 -3.371 12.342 -17.590 336 H ILE 47 H ILE 47 -1.741 10.422 -20.626 337 HA ILE 47 HA ILE 47 -0.506 7.944 -20.019 338 HB ILE 47 HB ILE 47 -0.983 9.269 -22.733 339 HG12 ILE 47 HG12 ILE 47 -3.090 8.790 -21.514 340 HG13 ILE 47 HG13 ILE 47 -2.939 7.749 -22.924 341 HG21 ILE 47 HG21 ILE 47 -0.180 6.384 -22.178 342 HG22 ILE 47 HG22 ILE 47 0.799 7.609 -22.985 343 HG23 ILE 47 HG23 ILE 47 -0.672 7.016 -23.752 344 HD11 ILE 47 HD11 ILE 47 -2.388 6.942 -20.068 345 HD12 ILE 47 HD12 ILE 47 -2.252 5.897 -21.483 346 HD13 ILE 47 HD13 ILE 47 -3.823 6.542 -21.012 347 H LYS 48 H LYS 48 0.626 10.862 -21.745 348 HA LYS 48 HA LYS 48 3.242 9.864 -22.250 349 HB2 LYS 48 HB2 LYS 48 1.964 11.670 -23.565 350 HB3 LYS 48 HB3 LYS 48 2.407 12.787 -22.284 351 HG2 LYS 48 HG2 LYS 48 3.908 12.974 -24.238 352 HG3 LYS 48 HG3 LYS 48 4.788 12.472 -22.791 353 HD2 LYS 48 HD2 LYS 48 4.840 10.152 -23.565 354 HD3 LYS 48 HD3 LYS 48 3.805 10.547 -24.936 355 HE2 LYS 48 HE2 LYS 48 6.586 11.691 -24.526 356 HE3 LYS 48 HE3 LYS 48 6.234 10.276 -25.517 357 HZ1 LYS 48 HZ1 LYS 48 4.825 11.643 -26.912 358 HZ2 LYS 48 HZ2 LYS 48 6.396 12.260 -26.854 359 HZ3 LYS 48 HZ3 LYS 48 5.163 13.007 -25.973 360 H ALA 49 H ALA 49 1.772 11.525 -19.530 361 HA ALA 49 HA ALA 49 4.110 12.342 -18.157 362 HB1 ALA 49 HB1 ALA 49 2.741 12.287 -16.111 363 HB2 ALA 49 HB2 ALA 49 1.478 11.397 -16.967 364 HB3 ALA 49 HB3 ALA 49 1.864 13.052 -17.437 365 H LEU 50 H LEU 50 2.296 9.285 -18.173 366 HA LEU 50 HA LEU 50 4.025 7.858 -16.402 367 HB2 LEU 50 HB2 LEU 50 1.762 7.107 -18.241 368 HB3 LEU 50 HB3 LEU 50 2.822 5.819 -17.712 369 HG LEU 50 HG LEU 50 0.850 5.889 -16.299 370 HD11 LEU 50 HD11 LEU 50 2.945 5.193 -15.251 371 HD12 LEU 50 HD12 LEU 50 1.894 5.999 -14.091 372 HD13 LEU 50 HD13 LEU 50 3.281 6.859 -14.766 373 HD21 LEU 50 HD21 LEU 50 1.598 8.738 -15.586 374 HD22 LEU 50 HD22 LEU 50 0.299 7.788 -14.861 375 HD23 LEU 50 HD23 LEU 50 0.216 8.233 -16.562 376 H GLU 51 H GLU 51 3.971 8.255 -19.936 377 HA GLU 51 HA GLU 51 5.909 6.274 -20.575 378 HB2 GLU 51 HB2 GLU 51 5.300 8.825 -22.130 379 HB3 GLU 51 HB3 GLU 51 6.139 7.411 -22.751 380 HG2 GLU 51 HG2 GLU 51 3.209 7.685 -22.055 381 HG3 GLU 51 HG3 GLU 51 3.916 7.353 -23.631 382 H LEU 52 H LEU 52 6.205 9.819 -20.345 383 HA LEU 52 HA LEU 52 8.998 10.002 -20.511 384 HB2 LEU 52 HB2 LEU 52 7.079 11.921 -19.130 385 HB3 LEU 52 HB3 LEU 52 8.738 12.280 -19.572 386 HG LEU 52 HG LEU 52 6.443 11.785 -21.510 387 HD11 LEU 52 HD11 LEU 52 6.714 14.160 -22.119 388 HD12 LEU 52 HD12 LEU 52 7.945 14.342 -20.867 389 HD13 LEU 52 HD13 LEU 52 6.281 13.962 -20.421 390 HD21 LEU 52 HD21 LEU 52 8.552 10.924 -22.458 391 HD22 LEU 52 HD22 LEU 52 9.313 12.494 -22.195 392 HD23 LEU 52 HD23 LEU 52 7.971 12.341 -23.330 393 H TYR 53 H TYR 53 6.924 9.221 -17.812 394 HA TYR 53 HA TYR 53 8.693 9.723 -15.669 395 HB2 TYR 53 HB2 TYR 53 6.319 9.411 -15.238 396 HB3 TYR 53 HB3 TYR 53 6.349 7.792 -15.929 397 HD1 TYR 53 HD1 TYR 53 8.008 9.762 -13.160 398 HD2 TYR 53 HD2 TYR 53 6.440 5.975 -14.404 399 HE1 TYR 53 HE1 TYR 53 8.446 8.836 -10.928 400 HE2 TYR 53 HE2 TYR 53 6.880 5.062 -12.164 401 HH TYR 53 HH TYR 53 8.458 5.574 -10.237 402 H LYS 54 H LYS 54 7.938 6.684 -17.409 403 HA LYS 54 HA LYS 54 9.842 5.189 -15.835 404 HB2 LYS 54 HB2 LYS 54 9.183 3.251 -17.192 405 HB3 LYS 54 HB3 LYS 54 7.783 4.112 -16.571 406 HG2 LYS 54 HG2 LYS 54 7.226 4.984 -18.726 407 HG3 LYS 54 HG3 LYS 54 8.792 4.519 -19.398 408 HD2 LYS 54 HD2 LYS 54 8.223 2.143 -19.231 409 HD3 LYS 54 HD3 LYS 54 6.709 2.524 -18.405 410 HE2 LYS 54 HE2 LYS 54 7.348 3.424 -21.232 411 HE3 LYS 54 HE3 LYS 54 6.464 1.945 -20.855 412 HZ1 LYS 54 HZ1 LYS 54 5.629 4.669 -20.048 413 HZ2 LYS 54 HZ2 LYS 54 4.783 3.233 -19.773 414 HZ3 LYS 54 HZ3 LYS 54 4.995 3.794 -21.350 415 H ILE 55 H ILE 55 9.857 6.646 -19.065 416 HA ILE 55 HA ILE 55 12.392 5.419 -19.815 417 HB ILE 55 HB ILE 55 12.272 6.654 -21.889 418 HG12 ILE 55 HG12 ILE 55 10.034 8.298 -20.611 419 HG13 ILE 55 HG13 ILE 55 11.606 8.895 -21.128 420 HG21 ILE 55 HG21 ILE 55 9.480 5.689 -21.139 421 HG22 ILE 55 HG22 ILE 55 10.803 4.683 -21.724 422 HG23 ILE 55 HG23 ILE 55 10.086 5.892 -22.786 423 HD11 ILE 55 HD11 ILE 55 9.352 7.941 -22.888 424 HD12 ILE 55 HD12 ILE 55 10.956 8.388 -23.474 425 HD13 ILE 55 HD13 ILE 55 9.938 9.592 -22.685 426 H ASN 56 H ASN 56 11.494 7.968 -17.817 427 HA ASN 56 HA ASN 56 12.572 9.547 -16.630 428 HB2 ASN 56 HB2 ASN 56 15.016 7.925 -17.437 429 HB3 ASN 56 HB3 ASN 56 15.039 9.193 -16.213 430 HD21 ASN 56 HD21 ASN 56 12.545 8.577 -14.961 431 HD22 ASN 56 HD22 ASN 56 12.725 7.074 -14.140 432 H ALA 57 H ALA 57 11.744 10.562 -18.808 433 HA ALA 57 HA ALA 57 13.698 11.741 -20.558 434 HB1 ALA 57 HB1 ALA 57 11.446 11.108 -21.349 435 HB2 ALA 57 HB2 ALA 57 11.765 12.825 -21.609 436 HB3 ALA 57 HB3 ALA 57 10.730 12.311 -20.275 437 H LYS 58 H LYS 58 12.914 14.280 -20.957 438 HA LYS 58 HA LYS 58 14.493 15.615 -19.002 439 HB2 LYS 58 HB2 LYS 58 12.880 16.835 -21.280 440 HB3 LYS 58 HB3 LYS 58 14.235 17.574 -20.430 441 HG2 LYS 58 HG2 LYS 58 15.719 15.747 -21.314 442 HG3 LYS 58 HG3 LYS 58 14.347 15.148 -22.247 443 HD2 LYS 58 HD2 LYS 58 15.746 16.495 -23.700 444 HD3 LYS 58 HD3 LYS 58 14.225 17.354 -23.433 445 HE2 LYS 58 HE2 LYS 58 16.176 18.877 -23.314 446 HE3 LYS 58 HE3 LYS 58 15.325 18.803 -21.771 447 HZ1 LYS 58 HZ1 LYS 58 16.988 17.307 -20.926 448 HZ2 LYS 58 HZ2 LYS 58 17.746 18.689 -21.534 449 HZ3 LYS 58 HZ3 LYS 58 17.778 17.255 -22.420 450 H LEU 59 H LEU 59 13.528 15.862 -16.993 451 HA LEU 59 HA LEU 59 10.978 17.143 -16.616 452 HB2 LEU 59 HB2 LEU 59 13.221 16.269 -14.815 453 HB3 LEU 59 HB3 LEU 59 12.158 17.522 -14.204 454 HG LEU 59 HG LEU 59 11.250 14.770 -15.111 455 HD11 LEU 59 HD11 LEU 59 12.565 14.633 -13.052 456 HD12 LEU 59 HD12 LEU 59 10.866 14.294 -12.736 457 HD13 LEU 59 HD13 LEU 59 11.547 15.863 -12.300 458 HD21 LEU 59 HD21 LEU 59 9.663 17.002 -13.774 459 HD22 LEU 59 HD22 LEU 59 9.064 15.382 -14.134 460 HD23 LEU 59 HD23 LEU 59 9.492 16.469 -15.450 461 H CYS 60 H CYS 60 10.566 19.208 -16.378 462 HA CYS 60 HA CYS 60 12.702 21.257 -16.593 463 HB2 CYS 60 HB2 CYS 60 11.227 21.176 -18.560 464 HB3 CYS 60 HB3 CYS 60 9.805 21.308 -17.531 465 H ASP 61 H ASP 61 9.718 20.240 -15.059 466 HA ASP 61 HA ASP 61 9.499 22.320 -13.134 467 HB2 ASP 61 HB2 ASP 61 8.444 19.465 -13.237 468 HB3 ASP 61 HB3 ASP 61 8.003 20.615 -11.976 469 HA PRO 62 HA PRO 62 12.851 21.441 -10.439 470 HB2 PRO 62 HB2 PRO 62 11.806 21.990 -7.916 471 HB3 PRO 62 HB3 PRO 62 12.300 23.225 -9.080 472 HG2 PRO 62 HG2 PRO 62 9.537 22.145 -8.529 473 HG3 PRO 62 HG3 PRO 62 10.059 23.830 -8.763 474 HD2 PRO 62 HD2 PRO 62 8.885 22.451 -10.761 475 HD3 PRO 62 HD3 PRO 62 10.209 23.593 -11.093 476 H HIS 63 H HIS 63 13.765 19.669 -9.601 477 HA HIS 63 HA HIS 63 12.098 17.467 -8.481 478 HB2 HIS 63 HB2 HIS 63 13.065 16.881 -10.694 479 HB3 HIS 63 HB3 HIS 63 14.673 17.287 -10.111 480 HD1 HIS 63 HD1 HIS 63 15.624 15.688 -8.151 481 HD2 HIS 63 HD2 HIS 63 12.322 14.275 -10.229 482 HE1 HIS 63 HE1 HIS 63 15.537 13.232 -7.687 483 HE2 HIS 63 HE2 HIS 63 13.634 12.375 -9.094 484 HA PRO 64 HA PRO 64 14.924 18.661 -4.957 485 HB2 PRO 64 HB2 PRO 64 12.673 17.440 -3.393 486 HB3 PRO 64 HB3 PRO 64 13.477 19.000 -3.165 487 HG2 PRO 64 HG2 PRO 64 10.984 18.874 -4.167 488 HG3 PRO 64 HG3 PRO 64 12.157 20.066 -4.770 489 HD2 PRO 64 HD2 PRO 64 11.343 17.422 -5.999 490 HD3 PRO 64 HD3 PRO 64 11.534 19.008 -6.781 Start of MODEL 6 1 H MET 1 H MET 1 8.711 0.074 0.653 2 HA MET 1 HA MET 1 7.863 2.309 0.878 3 HB2 MET 1 HB2 MET 1 9.970 1.936 -0.375 4 HB3 MET 1 HB3 MET 1 9.073 1.695 -1.865 5 HG2 MET 1 HG2 MET 1 8.305 4.061 -1.744 6 HG3 MET 1 HG3 MET 1 9.288 4.277 -0.295 7 HE1 MET 1 HE1 MET 1 11.906 2.500 -1.086 8 HE2 MET 1 HE2 MET 1 11.996 4.085 -0.317 9 HE3 MET 1 HE3 MET 1 12.929 3.764 -1.775 10 H LYS 2 H LYS 2 6.070 3.546 0.609 11 HA LYS 2 HA LYS 2 4.011 2.920 -1.289 12 HB2 LYS 2 HB2 LYS 2 4.339 5.357 0.516 13 HB3 LYS 2 HB3 LYS 2 2.930 5.049 -0.483 14 HG2 LYS 2 HG2 LYS 2 2.267 4.372 1.666 15 HG3 LYS 2 HG3 LYS 2 2.647 2.862 0.838 16 HD2 LYS 2 HD2 LYS 2 3.554 2.771 3.092 17 HD3 LYS 2 HD3 LYS 2 4.893 2.863 1.947 18 HE2 LYS 2 HE2 LYS 2 5.070 5.311 2.394 19 HE3 LYS 2 HE3 LYS 2 3.785 5.161 3.596 20 HZ1 LYS 2 HZ1 LYS 2 5.195 3.667 4.861 21 HZ2 LYS 2 HZ2 LYS 2 5.983 5.142 4.606 22 HZ3 LYS 2 HZ3 LYS 2 6.414 3.783 3.694 23 H ARG 3 H ARG 3 3.318 4.280 -3.020 24 HA ARG 3 HA ARG 3 5.597 5.331 -4.538 25 HB2 ARG 3 HB2 ARG 3 2.747 4.704 -5.444 26 HB3 ARG 3 HB3 ARG 3 4.121 5.040 -6.494 27 HG2 ARG 3 HG2 ARG 3 3.858 2.647 -4.645 28 HG3 ARG 3 HG3 ARG 3 3.603 2.620 -6.390 29 HD2 ARG 3 HD2 ARG 3 5.924 3.047 -6.824 30 HD3 ARG 3 HD3 ARG 3 6.242 3.455 -5.133 31 HE ARG 3 HE ARG 3 5.552 1.006 -4.733 32 HH11 ARG 3 HH11 ARG 3 7.319 2.079 -7.574 33 HH12 ARG 3 HH12 ARG 3 8.201 0.593 -7.722 34 HH21 ARG 3 HH21 ARG 3 6.727 -0.908 -4.927 35 HH22 ARG 3 HH22 ARG 3 7.863 -1.100 -6.228 36 H ALA 4 H ALA 4 4.440 6.959 -2.373 37 HA ALA 4 HA ALA 4 2.798 9.034 -3.418 38 HB1 ALA 4 HB1 ALA 4 2.866 8.511 -1.016 39 HB2 ALA 4 HB2 ALA 4 3.284 10.202 -1.303 40 HB3 ALA 4 HB3 ALA 4 4.552 9.030 -0.940 41 H ALA 5 H ALA 5 6.303 8.799 -2.750 42 HA ALA 5 HA ALA 5 7.034 11.375 -3.726 43 HB1 ALA 5 HB1 ALA 5 8.489 10.068 -2.230 44 HB2 ALA 5 HB2 ALA 5 9.344 10.496 -3.711 45 HB3 ALA 5 HB3 ALA 5 8.729 8.856 -3.489 46 H ALA 6 H ALA 6 6.706 8.215 -5.234 47 HA ALA 6 HA ALA 6 7.720 8.853 -7.824 48 HB1 ALA 6 HB1 ALA 6 5.800 6.655 -6.973 49 HB2 ALA 6 HB2 ALA 6 7.561 6.540 -6.982 50 HB3 ALA 6 HB3 ALA 6 6.683 6.726 -8.501 51 H LYS 7 H LYS 7 4.555 9.040 -6.302 52 HA LYS 7 HA LYS 7 2.954 9.561 -8.611 53 HB2 LYS 7 HB2 LYS 7 2.025 8.679 -6.493 54 HB3 LYS 7 HB3 LYS 7 2.449 10.178 -5.674 55 HG2 LYS 7 HG2 LYS 7 0.851 11.422 -7.049 56 HG3 LYS 7 HG3 LYS 7 0.463 9.961 -7.963 57 HD2 LYS 7 HD2 LYS 7 -0.416 8.916 -5.879 58 HD3 LYS 7 HD3 LYS 7 -0.055 10.401 -4.992 59 HE2 LYS 7 HE2 LYS 7 -2.431 10.286 -5.595 60 HE3 LYS 7 HE3 LYS 7 -1.639 11.635 -6.410 61 HZ1 LYS 7 HZ1 LYS 7 -3.159 10.313 -7.838 62 HZ2 LYS 7 HZ2 LYS 7 -2.108 9.000 -7.682 63 HZ3 LYS 7 HZ3 LYS 7 -1.579 10.420 -8.432 64 H HIS 8 H HIS 8 4.545 11.587 -6.179 65 HA HIS 8 HA HIS 8 3.766 14.120 -7.163 66 HB2 HIS 8 HB2 HIS 8 6.000 13.185 -5.348 67 HB3 HIS 8 HB3 HIS 8 6.052 14.831 -5.971 68 HD1 HIS 8 HD1 HIS 8 4.777 16.527 -4.714 69 HD2 HIS 8 HD2 HIS 8 3.500 12.684 -3.792 70 HE1 HIS 8 HE1 HIS 8 3.159 16.795 -2.820 71 HE2 HIS 8 HE2 HIS 8 2.507 14.449 -2.195 72 H LEU 9 H LEU 9 6.497 11.994 -7.925 73 HA LEU 9 HA LEU 9 7.927 13.762 -9.607 74 HB2 LEU 9 HB2 LEU 9 8.349 11.198 -8.574 75 HB3 LEU 9 HB3 LEU 9 8.187 10.880 -10.281 76 HG LEU 9 HG LEU 9 10.553 11.127 -9.615 77 HD11 LEU 9 HD11 LEU 9 11.283 12.737 -11.302 78 HD12 LEU 9 HD12 LEU 9 9.648 13.390 -11.411 79 HD13 LEU 9 HD13 LEU 9 9.970 11.727 -11.903 80 HD21 LEU 9 HD21 LEU 9 11.458 13.271 -8.855 81 HD22 LEU 9 HD22 LEU 9 10.252 12.667 -7.725 82 HD23 LEU 9 HD23 LEU 9 9.839 13.976 -8.838 83 H ILE 10 H ILE 10 5.453 11.296 -10.316 84 HA ILE 10 HA ILE 10 5.231 11.693 -13.120 85 HB ILE 10 HB ILE 10 3.130 10.717 -11.119 86 HG12 ILE 10 HG12 ILE 10 4.835 9.053 -13.038 87 HG13 ILE 10 HG13 ILE 10 5.240 9.308 -11.342 88 HG21 ILE 10 HG21 ILE 10 1.996 11.502 -13.150 89 HG22 ILE 10 HG22 ILE 10 1.920 9.746 -13.069 90 HG23 ILE 10 HG23 ILE 10 3.063 10.528 -14.166 91 HD11 ILE 10 HD11 ILE 10 2.756 7.932 -12.363 92 HD12 ILE 10 HD12 ILE 10 3.209 8.142 -10.669 93 HD13 ILE 10 HD13 ILE 10 4.200 7.145 -11.731 94 H GLU 11 H GLU 11 3.770 13.284 -10.326 95 HA GLU 11 HA GLU 11 1.751 14.787 -11.627 96 HB2 GLU 11 HB2 GLU 11 1.966 14.306 -9.104 97 HB3 GLU 11 HB3 GLU 11 3.186 15.566 -9.054 98 HG2 GLU 11 HG2 GLU 11 1.181 16.577 -8.300 99 HG3 GLU 11 HG3 GLU 11 1.422 17.172 -9.943 100 H ARG 12 H ARG 12 5.174 15.338 -11.063 101 HA ARG 12 HA ARG 12 5.233 18.088 -11.906 102 HB2 ARG 12 HB2 ARG 12 7.566 16.129 -11.747 103 HB3 ARG 12 HB3 ARG 12 7.672 17.887 -11.817 104 HG2 ARG 12 HG2 ARG 12 6.415 17.945 -9.616 105 HG3 ARG 12 HG3 ARG 12 6.603 16.201 -9.552 106 HD2 ARG 12 HD2 ARG 12 8.392 16.902 -8.243 107 HD3 ARG 12 HD3 ARG 12 9.166 16.746 -9.819 108 HE ARG 12 HE ARG 12 9.484 19.011 -9.870 109 HH11 ARG 12 HH11 ARG 12 7.092 18.340 -7.362 110 HH12 ARG 12 HH12 ARG 12 7.130 19.955 -6.733 111 HH21 ARG 12 HH21 ARG 12 9.503 21.122 -9.010 112 HH22 ARG 12 HH22 ARG 12 8.492 21.519 -7.661 113 H TYR 13 H TYR 13 5.887 14.944 -13.458 114 HA TYR 13 HA TYR 13 6.579 15.950 -16.024 115 HB2 TYR 13 HB2 TYR 13 5.527 13.260 -15.088 116 HB3 TYR 13 HB3 TYR 13 5.716 13.585 -16.807 117 HD1 TYR 13 HD1 TYR 13 8.108 14.484 -17.544 118 HD2 TYR 13 HD2 TYR 13 7.397 12.303 -13.932 119 HE1 TYR 13 HE1 TYR 13 10.472 13.828 -17.466 120 HE2 TYR 13 HE2 TYR 13 9.762 11.658 -13.866 121 HH TYR 13 HH TYR 13 11.636 11.408 -15.377 122 H TYR 14 H TYR 14 3.461 15.125 -14.559 123 HA TYR 14 HA TYR 14 1.852 15.475 -16.878 124 HB2 TYR 14 HB2 TYR 14 1.027 14.175 -14.934 125 HB3 TYR 14 HB3 TYR 14 1.070 15.622 -13.931 126 HD1 TYR 14 HD1 TYR 14 -0.546 14.234 -17.026 127 HD2 TYR 14 HD2 TYR 14 -0.880 17.017 -13.798 128 HE1 TYR 14 HE1 TYR 14 -2.825 14.792 -17.739 129 HE2 TYR 14 HE2 TYR 14 -3.156 17.575 -14.513 130 HH TYR 14 HH TYR 14 -4.857 15.714 -16.836 131 H HIS 15 H HIS 15 2.871 17.565 -14.232 132 HA HIS 15 HA HIS 15 1.461 19.910 -14.873 133 HB2 HIS 15 HB2 HIS 15 2.694 19.606 -12.718 134 HB3 HIS 15 HB3 HIS 15 4.228 19.652 -13.588 135 HD1 HIS 15 HD1 HIS 15 4.938 22.001 -14.602 136 HD2 HIS 15 HD2 HIS 15 1.648 22.082 -12.061 137 HE1 HIS 15 HE1 HIS 15 4.593 24.414 -14.019 138 HE2 HIS 15 HE2 HIS 15 2.735 24.405 -12.314 139 H GLN 16 H GLN 16 4.568 18.600 -15.954 140 HA GLN 16 HA GLN 16 5.450 20.746 -17.517 141 HB2 GLN 16 HB2 GLN 16 6.943 18.933 -16.826 142 HB3 GLN 16 HB3 GLN 16 6.029 17.772 -17.787 143 HG2 GLN 16 HG2 GLN 16 6.700 18.968 -19.849 144 HG3 GLN 16 HG3 GLN 16 7.636 20.098 -18.880 145 HE21 GLN 16 HE21 GLN 16 7.460 16.801 -20.044 146 HE22 GLN 16 HE22 GLN 16 9.109 16.400 -19.703 147 H LEU 17 H LEU 17 3.427 17.905 -18.467 148 HA LEU 17 HA LEU 17 3.255 18.654 -21.227 149 HB2 LEU 17 HB2 LEU 17 1.561 16.785 -19.546 150 HB3 LEU 17 HB3 LEU 17 1.118 17.161 -21.198 151 HG LEU 17 HG LEU 17 2.188 15.129 -21.426 152 HD11 LEU 17 HD11 LEU 17 4.304 15.449 -22.580 153 HD12 LEU 17 HD12 LEU 17 4.434 17.078 -21.914 154 HD13 LEU 17 HD13 LEU 17 3.124 16.680 -23.027 155 HD21 LEU 17 HD21 LEU 17 4.239 14.394 -20.323 156 HD22 LEU 17 HD22 LEU 17 3.014 14.865 -19.148 157 HD23 LEU 17 HD23 LEU 17 4.362 15.950 -19.498 158 H THR 18 H THR 18 1.278 19.515 -18.389 159 HA THR 18 HA THR 18 -0.846 20.640 -20.071 160 HB THR 18 HB THR 18 -2.019 21.053 -17.855 161 HG1 THR 18 HG1 THR 18 -0.268 19.340 -16.538 162 HG21 THR 18 HG21 THR 18 -1.111 18.185 -18.327 163 HG22 THR 18 HG22 THR 18 -2.467 18.978 -19.135 164 HG23 THR 18 HG23 THR 18 -2.523 18.686 -17.397 165 H GLU 19 H GLU 19 0.944 21.878 -17.218 166 HA GLU 19 HA GLU 19 0.301 24.626 -17.899 167 HB2 GLU 19 HB2 GLU 19 1.995 23.514 -15.628 168 HB3 GLU 19 HB3 GLU 19 1.388 25.158 -15.750 169 HG2 GLU 19 HG2 GLU 19 -0.328 22.680 -15.449 170 HG3 GLU 19 HG3 GLU 19 0.136 23.756 -14.134 171 H GLY 20 H GLY 20 3.200 22.608 -17.660 172 HA2 GLY 20 HA2 GLY 20 5.205 22.786 -18.817 173 HA3 GLY 20 HA3 GLY 20 4.800 24.424 -19.298 174 H CYS 21 H CYS 21 5.722 26.025 -18.222 175 HA CYS 21 HA CYS 21 6.434 25.854 -15.401 176 HB2 CYS 21 HB2 CYS 21 8.823 26.621 -15.896 177 HB3 CYS 21 HB3 CYS 21 8.461 24.955 -16.337 178 H GLY 22 H GLY 22 5.040 27.591 -17.805 179 HA2 GLY 22 HA2 GLY 22 4.253 29.779 -17.724 180 HA3 GLY 22 HA3 GLY 22 5.392 30.150 -16.443 181 H ASN 23 H ASN 23 7.674 29.059 -18.021 182 HA ASN 23 HA ASN 23 8.773 31.376 -19.006 183 HB2 ASN 23 HB2 ASN 23 9.460 28.522 -19.833 184 HB3 ASN 23 HB3 ASN 23 10.469 29.926 -20.162 185 HD21 ASN 23 HD21 ASN 23 12.199 29.115 -19.039 186 HD22 ASN 23 HD22 ASN 23 12.229 28.985 -17.314 187 H GLU 24 H GLU 24 8.756 32.482 -20.880 188 HA GLU 24 HA GLU 24 7.204 31.738 -23.182 189 HB2 GLU 24 HB2 GLU 24 7.600 34.107 -22.516 190 HB3 GLU 24 HB3 GLU 24 9.325 33.911 -22.797 191 HG2 GLU 24 HG2 GLU 24 8.309 35.125 -24.637 192 HG3 GLU 24 HG3 GLU 24 8.898 33.566 -25.206 193 H ALA 25 H ALA 25 10.706 32.243 -22.679 194 HA ALA 25 HA ALA 25 11.399 30.406 -24.856 195 HB1 ALA 25 HB1 ALA 25 13.704 31.203 -24.498 196 HB2 ALA 25 HB2 ALA 25 13.170 32.151 -23.107 197 HB3 ALA 25 HB3 ALA 25 12.591 32.554 -24.723 198 H CYS 26 H CYS 26 11.027 28.375 -24.131 199 HA CYS 26 HA CYS 26 12.827 27.331 -22.043 200 HB2 CYS 26 HB2 CYS 26 10.645 27.360 -20.964 201 HB3 CYS 26 HB3 CYS 26 9.877 26.628 -22.370 202 H THR 27 H THR 27 14.158 25.938 -23.022 203 HA THR 27 HA THR 27 13.501 24.867 -25.674 204 HB THR 27 HB THR 27 15.591 26.085 -25.515 205 HG1 THR 27 HG1 THR 27 16.320 23.346 -25.692 206 HG21 THR 27 HG21 THR 27 17.504 25.334 -24.162 207 HG22 THR 27 HG22 THR 27 16.515 24.066 -23.438 208 HG23 THR 27 HG23 THR 27 16.139 25.764 -23.133 209 H ASN 28 H ASN 28 11.918 23.541 -24.209 210 HA ASN 28 HA ASN 28 13.080 20.836 -23.906 211 HB2 ASN 28 HB2 ASN 28 12.735 21.816 -21.635 212 HB3 ASN 28 HB3 ASN 28 11.042 22.089 -21.999 213 HD21 ASN 28 HD21 ASN 28 12.368 20.469 -19.888 214 HD22 ASN 28 HD22 ASN 28 11.693 18.882 -20.030 215 H GLU 29 H GLU 29 12.125 19.500 -25.182 216 HA GLU 29 HA GLU 29 10.115 20.218 -27.047 217 HB2 GLU 29 HB2 GLU 29 10.492 17.869 -27.878 218 HB3 GLU 29 HB3 GLU 29 11.974 18.793 -27.668 219 HG2 GLU 29 HG2 GLU 29 12.154 17.651 -25.360 220 HG3 GLU 29 HG3 GLU 29 10.907 16.555 -25.943 221 H PHE 30 H PHE 30 9.974 18.510 -24.018 222 HA PHE 30 HA PHE 30 7.275 17.417 -24.516 223 HB2 PHE 30 HB2 PHE 30 9.239 16.929 -22.240 224 HB3 PHE 30 HB3 PHE 30 7.670 16.149 -22.396 225 HD1 PHE 30 HD1 PHE 30 7.383 15.138 -24.990 226 HD2 PHE 30 HD2 PHE 30 11.015 15.493 -22.756 227 HE1 PHE 30 HE1 PHE 30 8.373 13.301 -26.291 228 HE2 PHE 30 HE2 PHE 30 11.993 13.657 -24.062 229 HZ PHE 30 HZ PHE 30 10.676 12.558 -25.832 230 H CYS 31 H CYS 31 8.294 20.335 -23.608 231 HA CYS 31 HA CYS 31 6.696 20.602 -21.119 232 HB2 CYS 31 HB2 CYS 31 9.121 21.278 -21.079 233 HB3 CYS 31 HB3 CYS 31 8.763 22.533 -22.241 234 H ALA 32 H ALA 32 4.937 21.868 -21.076 235 HA ALA 32 HA ALA 32 3.847 23.004 -23.482 236 HB1 ALA 32 HB1 ALA 32 1.908 23.558 -22.066 237 HB2 ALA 32 HB2 ALA 32 2.812 23.100 -20.620 238 HB3 ALA 32 HB3 ALA 32 2.400 21.878 -21.827 239 H SER 33 H SER 33 3.058 25.266 -23.521 240 HA SER 33 HA SER 33 3.560 27.448 -23.789 241 HB2 SER 33 HB2 SER 33 5.032 27.255 -21.123 242 HB3 SER 33 HB3 SER 33 4.472 28.741 -21.898 243 HG SER 33 HG SER 33 2.385 27.120 -21.705 244 H CYS 34 H CYS 34 5.592 25.134 -24.462 245 HA CYS 34 HA CYS 34 7.866 26.907 -25.162 246 HB2 CYS 34 HB2 CYS 34 7.763 23.861 -25.148 247 HB3 CYS 34 HB3 CYS 34 9.196 24.874 -25.359 248 HG CYS 34 HG CYS 34 7.356 25.061 -22.502 249 HA PRO 35 HA PRO 35 6.473 26.678 -29.442 250 HB2 PRO 35 HB2 PRO 35 8.765 27.254 -30.800 251 HB3 PRO 35 HB3 PRO 35 7.933 28.465 -29.812 252 HG2 PRO 35 HG2 PRO 35 10.297 26.734 -29.069 253 HG3 PRO 35 HG3 PRO 35 10.097 28.491 -28.876 254 HD2 PRO 35 HD2 PRO 35 9.674 26.772 -26.819 255 HD3 PRO 35 HD3 PRO 35 8.709 28.253 -27.007 256 H THR 36 H THR 36 8.688 24.449 -28.138 257 HA THR 36 HA THR 36 8.916 22.766 -30.530 258 HB THR 36 HB THR 36 10.464 21.418 -29.006 259 HG1 THR 36 HG1 THR 36 9.660 22.069 -26.988 260 HG21 THR 36 HG21 THR 36 11.143 24.371 -29.355 261 HG22 THR 36 HG22 THR 36 11.398 23.101 -30.554 262 HG23 THR 36 HG23 THR 36 12.304 23.079 -29.043 263 H PHE 37 H PHE 37 6.561 23.193 -28.311 264 HA PHE 37 HA PHE 37 5.734 20.358 -28.379 265 HB2 PHE 37 HB2 PHE 37 6.547 20.849 -26.101 266 HB3 PHE 37 HB3 PHE 37 5.454 22.222 -25.999 267 HD1 PHE 37 HD1 PHE 37 5.379 18.513 -26.598 268 HD2 PHE 37 HD2 PHE 37 3.380 21.903 -24.924 269 HE1 PHE 37 HE1 PHE 37 3.655 17.040 -25.652 270 HE2 PHE 37 HE2 PHE 37 1.664 20.421 -23.980 271 HZ PHE 37 HZ PHE 37 1.796 17.989 -24.344 272 H LEU 38 H LEU 38 3.633 20.009 -28.916 273 HA LEU 38 HA LEU 38 1.977 22.344 -29.679 274 HB2 LEU 38 HB2 LEU 38 1.919 19.448 -30.626 275 HB3 LEU 38 HB3 LEU 38 0.694 20.628 -31.052 276 HG LEU 38 HG LEU 38 2.134 20.474 -32.940 277 HD11 LEU 38 HD11 LEU 38 3.047 22.725 -33.183 278 HD12 LEU 38 HD12 LEU 38 2.948 22.976 -31.440 279 HD13 LEU 38 HD13 LEU 38 1.475 22.765 -32.388 280 HD21 LEU 38 HD21 LEU 38 4.534 20.849 -31.112 281 HD22 LEU 38 HD22 LEU 38 4.586 20.765 -32.875 282 HD23 LEU 38 HD23 LEU 38 4.069 19.361 -31.945 283 H ARG 39 H ARG 39 -0.349 22.119 -29.389 284 HA ARG 39 HA ARG 39 -1.016 21.502 -26.688 285 HB2 ARG 39 HB2 ARG 39 -2.861 22.281 -28.990 286 HB3 ARG 39 HB3 ARG 39 -3.281 22.318 -27.282 287 HG2 ARG 39 HG2 ARG 39 -1.198 24.048 -28.655 288 HG3 ARG 39 HG3 ARG 39 -2.789 24.574 -28.100 289 HD2 ARG 39 HD2 ARG 39 -2.116 24.081 -25.762 290 HD3 ARG 39 HD3 ARG 39 -0.518 23.584 -26.334 291 HE ARG 39 HE ARG 39 -0.890 26.141 -27.299 292 HH11 ARG 39 HH11 ARG 39 -0.767 24.677 -24.091 293 HH12 ARG 39 HH12 ARG 39 -0.175 26.122 -23.331 294 HH21 ARG 39 HH21 ARG 39 -0.126 28.010 -26.267 295 HH22 ARG 39 HH22 ARG 39 0.185 27.999 -24.562 296 H MET 40 H MET 40 -1.864 19.721 -25.853 297 HA MET 40 HA MET 40 -2.481 17.397 -27.589 298 HB2 MET 40 HB2 MET 40 -1.889 16.063 -25.461 299 HB3 MET 40 HB3 MET 40 -0.559 16.914 -26.240 300 HG2 MET 40 HG2 MET 40 -0.461 17.124 -23.791 301 HG3 MET 40 HG3 MET 40 -0.658 18.692 -24.571 302 HE1 MET 40 HE1 MET 40 -1.599 20.110 -22.636 303 HE2 MET 40 HE2 MET 40 -1.169 18.773 -21.567 304 HE3 MET 40 HE3 MET 40 -2.762 19.515 -21.451 305 H ASP 41 H ASP 41 -3.777 15.733 -25.944 306 HA ASP 41 HA ASP 41 -6.221 17.109 -24.989 307 HB2 ASP 41 HB2 ASP 41 -6.540 15.349 -26.735 308 HB3 ASP 41 HB3 ASP 41 -5.748 14.172 -25.695 309 H ASN 42 H ASN 42 -7.158 16.245 -22.966 310 HA ASN 42 HA ASN 42 -5.397 16.343 -20.804 311 HB2 ASN 42 HB2 ASN 42 -7.333 15.870 -19.392 312 HB3 ASN 42 HB3 ASN 42 -7.814 16.951 -20.687 313 HD21 ASN 42 HD21 ASN 42 -9.014 15.998 -22.476 314 HD22 ASN 42 HD22 ASN 42 -9.980 14.598 -22.222 315 H ASN 43 H ASN 43 -6.882 13.535 -22.370 316 HA ASN 43 HA ASN 43 -5.892 11.541 -20.584 317 HB2 ASN 43 HB2 ASN 43 -6.836 11.299 -23.483 318 HB3 ASN 43 HB3 ASN 43 -6.544 9.940 -22.405 319 HD21 ASN 43 HD21 ASN 43 -7.762 11.185 -20.059 320 HD22 ASN 43 HD22 ASN 43 -9.462 11.193 -20.348 321 H ALA 44 H ALA 44 -4.743 12.971 -23.611 322 HA ALA 44 HA ALA 44 -2.529 11.255 -24.093 323 HB1 ALA 44 HB1 ALA 44 -3.507 12.660 -25.850 324 HB2 ALA 44 HB2 ALA 44 -1.782 12.986 -25.673 325 HB3 ALA 44 HB3 ALA 44 -2.966 14.115 -25.008 326 H ALA 45 H ALA 45 -2.936 14.188 -22.201 327 HA ALA 45 HA ALA 45 -0.197 14.698 -21.599 328 HB1 ALA 45 HB1 ALA 45 -1.090 16.214 -19.868 329 HB2 ALA 45 HB2 ALA 45 -2.704 15.537 -20.105 330 HB3 ALA 45 HB3 ALA 45 -1.926 16.436 -21.407 331 H ALA 46 H ALA 46 -2.777 12.838 -20.050 332 HA ALA 46 HA ALA 46 -1.403 12.154 -17.659 333 HB1 ALA 46 HB1 ALA 46 -3.188 10.500 -17.342 334 HB2 ALA 46 HB2 ALA 46 -3.710 10.728 -19.014 335 HB3 ALA 46 HB3 ALA 46 -3.844 12.054 -17.860 336 H ILE 47 H ILE 47 -1.876 10.392 -20.726 337 HA ILE 47 HA ILE 47 -0.455 8.039 -20.077 338 HB ILE 47 HB ILE 47 -0.953 9.311 -22.814 339 HG12 ILE 47 HG12 ILE 47 -3.041 8.649 -21.659 340 HG13 ILE 47 HG13 ILE 47 -2.755 7.607 -23.045 341 HG21 ILE 47 HG21 ILE 47 -0.419 7.083 -23.806 342 HG22 ILE 47 HG22 ILE 47 0.090 6.511 -22.215 343 HG23 ILE 47 HG23 ILE 47 0.973 7.815 -23.007 344 HD11 ILE 47 HD11 ILE 47 -3.585 6.346 -21.136 345 HD12 ILE 47 HD12 ILE 47 -2.219 6.882 -20.160 346 HD13 ILE 47 HD13 ILE 47 -1.951 5.835 -21.555 347 H LYS 48 H LYS 48 0.558 11.041 -21.739 348 HA LYS 48 HA LYS 48 3.209 10.167 -22.252 349 HB2 LYS 48 HB2 LYS 48 1.918 12.019 -23.490 350 HB3 LYS 48 HB3 LYS 48 2.342 13.077 -22.150 351 HG2 LYS 48 HG2 LYS 48 3.889 13.389 -24.025 352 HG3 LYS 48 HG3 LYS 48 4.737 12.739 -22.621 353 HD2 LYS 48 HD2 LYS 48 4.720 10.486 -23.608 354 HD3 LYS 48 HD3 LYS 48 3.774 11.068 -24.978 355 HE2 LYS 48 HE2 LYS 48 6.568 12.038 -24.305 356 HE3 LYS 48 HE3 LYS 48 6.218 10.764 -25.469 357 HZ1 LYS 48 HZ1 LYS 48 5.275 13.577 -25.658 358 HZ2 LYS 48 HZ2 LYS 48 4.947 12.343 -26.767 359 HZ3 LYS 48 HZ3 LYS 48 6.534 12.883 -26.556 360 H ALA 49 H ALA 49 1.712 11.817 -19.515 361 HA ALA 49 HA ALA 49 4.006 12.642 -18.090 362 HB1 ALA 49 HB1 ALA 49 2.583 12.547 -16.081 363 HB2 ALA 49 HB2 ALA 49 1.379 11.604 -16.963 364 HB3 ALA 49 HB3 ALA 49 1.710 13.271 -17.433 365 H LEU 50 H LEU 50 2.233 9.567 -18.057 366 HA LEU 50 HA LEU 50 3.990 8.184 -16.292 367 HB2 LEU 50 HB2 LEU 50 1.729 7.395 -18.110 368 HB3 LEU 50 HB3 LEU 50 2.802 6.117 -17.576 369 HG LEU 50 HG LEU 50 0.762 6.294 -16.175 370 HD11 LEU 50 HD11 LEU 50 1.851 6.197 -13.981 371 HD12 LEU 50 HD12 LEU 50 3.305 6.944 -14.646 372 HD13 LEU 50 HD13 LEU 50 2.802 5.344 -15.195 373 HD21 LEU 50 HD21 LEU 50 0.403 8.162 -14.661 374 HD22 LEU 50 HD22 LEU 50 0.417 8.739 -16.325 375 HD23 LEU 50 HD23 LEU 50 1.831 8.992 -15.291 376 H GLU 51 H GLU 51 3.891 8.469 -19.846 377 HA GLU 51 HA GLU 51 5.837 6.551 -20.513 378 HB2 GLU 51 HB2 GLU 51 5.175 9.174 -21.922 379 HB3 GLU 51 HB3 GLU 51 6.182 7.911 -22.614 380 HG2 GLU 51 HG2 GLU 51 3.228 7.696 -21.960 381 HG3 GLU 51 HG3 GLU 51 3.941 7.857 -23.562 382 H LEU 52 H LEU 52 6.163 10.054 -19.995 383 HA LEU 52 HA LEU 52 8.940 10.251 -20.377 384 HB2 LEU 52 HB2 LEU 52 7.118 12.099 -18.796 385 HB3 LEU 52 HB3 LEU 52 8.749 12.484 -19.324 386 HG LEU 52 HG LEU 52 6.329 12.064 -21.105 387 HD11 LEU 52 HD11 LEU 52 7.981 14.538 -20.572 388 HD12 LEU 52 HD12 LEU 52 6.349 14.221 -19.980 389 HD13 LEU 52 HD13 LEU 52 6.635 14.413 -21.707 390 HD21 LEU 52 HD21 LEU 52 8.272 11.126 -22.243 391 HD22 LEU 52 HD22 LEU 52 9.180 12.613 -21.965 392 HD23 LEU 52 HD23 LEU 52 7.764 12.626 -23.015 393 H TYR 53 H TYR 53 7.023 9.577 -17.530 394 HA TYR 53 HA TYR 53 9.046 9.795 -15.575 395 HB2 TYR 53 HB2 TYR 53 6.680 9.732 -14.952 396 HB3 TYR 53 HB3 TYR 53 6.490 8.123 -15.641 397 HD1 TYR 53 HD1 TYR 53 8.201 10.014 -12.889 398 HD2 TYR 53 HD2 TYR 53 6.932 6.182 -14.296 399 HE1 TYR 53 HE1 TYR 53 8.814 9.013 -10.727 400 HE2 TYR 53 HE2 TYR 53 7.545 5.190 -12.139 401 HH TYR 53 HH TYR 53 9.137 5.698 -10.270 402 H LYS 54 H LYS 54 7.831 6.931 -17.372 403 HA LYS 54 HA LYS 54 9.677 5.170 -16.010 404 HB2 LYS 54 HB2 LYS 54 8.581 3.361 -17.216 405 HB3 LYS 54 HB3 LYS 54 7.385 4.447 -16.523 406 HG2 LYS 54 HG2 LYS 54 7.106 5.514 -18.771 407 HG3 LYS 54 HG3 LYS 54 8.209 4.307 -19.439 408 HD2 LYS 54 HD2 LYS 54 6.665 2.499 -18.749 409 HD3 LYS 54 HD3 LYS 54 5.566 3.691 -18.053 410 HE2 LYS 54 HE2 LYS 54 4.750 2.971 -20.237 411 HE3 LYS 54 HE3 LYS 54 5.226 4.669 -20.298 412 HZ1 LYS 54 HZ1 LYS 54 5.991 3.506 -22.235 413 HZ2 LYS 54 HZ2 LYS 54 6.801 2.362 -21.292 414 HZ3 LYS 54 HZ3 LYS 54 7.333 3.963 -21.310 415 H ILE 55 H ILE 55 9.838 6.979 -18.967 416 HA ILE 55 HA ILE 55 12.064 5.342 -20.018 417 HB ILE 55 HB ILE 55 12.101 6.829 -21.960 418 HG12 ILE 55 HG12 ILE 55 10.027 8.493 -20.469 419 HG13 ILE 55 HG13 ILE 55 11.615 9.012 -21.014 420 HG21 ILE 55 HG21 ILE 55 9.885 6.309 -22.927 421 HG22 ILE 55 HG22 ILE 55 9.250 5.972 -21.315 422 HG23 ILE 55 HG23 ILE 55 10.512 4.946 -21.998 423 HD11 ILE 55 HD11 ILE 55 9.919 9.964 -22.404 424 HD12 ILE 55 HD12 ILE 55 9.230 8.379 -22.744 425 HD13 ILE 55 HD13 ILE 55 10.837 8.794 -23.355 426 H ASN 56 H ASN 56 11.556 7.960 -17.905 427 HA ASN 56 HA ASN 56 12.815 9.511 -16.869 428 HB2 ASN 56 HB2 ASN 56 15.081 7.696 -17.775 429 HB3 ASN 56 HB3 ASN 56 15.371 9.132 -16.801 430 HD21 ASN 56 HD21 ASN 56 12.550 7.026 -16.336 431 HD22 ASN 56 HD22 ASN 56 13.049 6.420 -14.804 432 H ALA 57 H ALA 57 11.852 10.734 -18.677 433 HA ALA 57 HA ALA 57 13.629 11.792 -20.723 434 HB1 ALA 57 HB1 ALA 57 10.765 12.525 -20.032 435 HB2 ALA 57 HB2 ALA 57 11.260 11.353 -21.253 436 HB3 ALA 57 HB3 ALA 57 11.661 13.058 -21.459 437 H LYS 58 H LYS 58 13.393 14.273 -21.010 438 HA LYS 58 HA LYS 58 14.750 15.573 -18.867 439 HB2 LYS 58 HB2 LYS 58 14.632 17.592 -20.422 440 HB3 LYS 58 HB3 LYS 58 15.370 16.155 -21.109 441 HG2 LYS 58 HG2 LYS 58 12.960 15.706 -22.078 442 HG3 LYS 58 HG3 LYS 58 12.720 17.424 -21.789 443 HD2 LYS 58 HD2 LYS 58 14.967 16.264 -23.483 444 HD3 LYS 58 HD3 LYS 58 13.448 16.875 -24.126 445 HE2 LYS 58 HE2 LYS 58 13.969 19.116 -23.291 446 HE3 LYS 58 HE3 LYS 58 15.474 18.524 -22.582 447 HZ1 LYS 58 HZ1 LYS 58 16.346 18.063 -24.725 448 HZ2 LYS 58 HZ2 LYS 58 15.715 19.630 -24.795 449 HZ3 LYS 58 HZ3 LYS 58 14.858 18.337 -25.484 450 H LEU 59 H LEU 59 13.568 15.826 -17.046 451 HA LEU 59 HA LEU 59 10.878 16.930 -17.024 452 HB2 LEU 59 HB2 LEU 59 11.517 15.193 -15.383 453 HB3 LEU 59 HB3 LEU 59 12.763 16.242 -14.726 454 HG LEU 59 HG LEU 59 11.043 17.810 -13.887 455 HD11 LEU 59 HD11 LEU 59 9.321 17.530 -15.604 456 HD12 LEU 59 HD12 LEU 59 8.644 17.293 -13.993 457 HD13 LEU 59 HD13 LEU 59 8.981 15.897 -15.019 458 HD21 LEU 59 HD21 LEU 59 10.455 14.948 -13.051 459 HD22 LEU 59 HD22 LEU 59 10.038 16.400 -12.136 460 HD23 LEU 59 HD23 LEU 59 11.729 15.981 -12.396 461 H CYS 60 H CYS 60 10.363 19.002 -16.678 462 HA CYS 60 HA CYS 60 12.517 21.003 -16.640 463 HB2 CYS 60 HB2 CYS 60 10.853 21.040 -18.491 464 HB3 CYS 60 HB3 CYS 60 9.568 21.335 -17.322 465 H ASP 61 H ASP 61 9.655 19.983 -14.851 466 HA ASP 61 HA ASP 61 9.702 22.065 -12.893 467 HB2 ASP 61 HB2 ASP 61 8.418 19.307 -12.968 468 HB3 ASP 61 HB3 ASP 61 8.286 20.351 -11.559 469 HA PRO 62 HA PRO 62 13.492 20.621 -10.888 470 HB2 PRO 62 HB2 PRO 62 12.525 22.259 -8.570 471 HB3 PRO 62 HB3 PRO 62 14.071 22.325 -9.428 472 HG2 PRO 62 HG2 PRO 62 12.233 24.229 -9.805 473 HG3 PRO 62 HG3 PRO 62 13.194 23.624 -11.175 474 HD2 PRO 62 HD2 PRO 62 10.354 22.942 -10.399 475 HD3 PRO 62 HD3 PRO 62 11.031 23.264 -12.013 476 H HIS 63 H HIS 63 13.294 18.493 -10.367 477 HA HIS 63 HA HIS 63 11.286 17.447 -8.634 478 HB2 HIS 63 HB2 HIS 63 12.625 15.266 -8.832 479 HB3 HIS 63 HB3 HIS 63 12.006 15.949 -10.324 480 HD1 HIS 63 HD1 HIS 63 13.632 15.657 -12.160 481 HD2 HIS 63 HD2 HIS 63 15.576 16.264 -8.536 482 HE1 HIS 63 HE1 HIS 63 16.081 15.539 -12.679 483 HE2 HIS 63 HE2 HIS 63 17.224 16.069 -10.499 484 HA PRO 64 HA PRO 64 13.043 18.233 -4.621 485 HB2 PRO 64 HB2 PRO 64 11.867 15.597 -3.756 486 HB3 PRO 64 HB3 PRO 64 11.607 17.217 -3.094 487 HG2 PRO 64 HG2 PRO 64 9.718 16.048 -4.586 488 HG3 PRO 64 HG3 PRO 64 10.050 17.788 -4.756 489 HD2 PRO 64 HD2 PRO 64 10.942 15.502 -6.522 490 HD3 PRO 64 HD3 PRO 64 10.311 17.099 -6.986 Start of MODEL 7 1 H MET 1 H MET 1 11.936 2.475 -6.491 2 HA MET 1 HA MET 1 10.474 1.048 -5.269 3 HB2 MET 1 HB2 MET 1 12.817 1.343 -4.511 4 HB3 MET 1 HB3 MET 1 12.350 2.711 -3.514 5 HG2 MET 1 HG2 MET 1 11.292 -0.089 -3.065 6 HG3 MET 1 HG3 MET 1 12.767 0.512 -2.318 7 HE1 MET 1 HE1 MET 1 11.994 3.568 -1.622 8 HE2 MET 1 HE2 MET 1 12.826 2.481 -0.511 9 HE3 MET 1 HE3 MET 1 11.396 3.361 0.023 10 H LYS 2 H LYS 2 10.468 4.393 -4.013 11 HA LYS 2 HA LYS 2 8.240 3.851 -2.217 12 HB2 LYS 2 HB2 LYS 2 10.251 5.133 -1.471 13 HB3 LYS 2 HB3 LYS 2 9.854 6.402 -2.622 14 HG2 LYS 2 HG2 LYS 2 8.110 7.228 -1.345 15 HG3 LYS 2 HG3 LYS 2 7.710 5.653 -0.662 16 HD2 LYS 2 HD2 LYS 2 8.612 7.215 1.048 17 HD3 LYS 2 HD3 LYS 2 9.600 5.766 0.872 18 HE2 LYS 2 HE2 LYS 2 11.218 7.042 -0.505 19 HE3 LYS 2 HE3 LYS 2 10.224 8.490 -0.322 20 HZ1 LYS 2 HZ1 LYS 2 12.088 8.451 1.219 21 HZ2 LYS 2 HZ2 LYS 2 11.534 6.999 1.886 22 HZ3 LYS 2 HZ3 LYS 2 10.618 8.411 2.058 23 H ARG 3 H ARG 3 6.259 3.973 -2.976 24 HA ARG 3 HA ARG 3 5.599 4.876 -5.590 25 HB2 ARG 3 HB2 ARG 3 3.287 4.181 -5.025 26 HB3 ARG 3 HB3 ARG 3 4.469 2.952 -4.587 27 HG2 ARG 3 HG2 ARG 3 4.358 3.759 -2.215 28 HG3 ARG 3 HG3 ARG 3 3.078 4.877 -2.691 29 HD2 ARG 3 HD2 ARG 3 1.579 3.063 -3.200 30 HD3 ARG 3 HD3 ARG 3 2.879 1.872 -3.043 31 HE ARG 3 HE ARG 3 2.696 3.264 -0.623 32 HH11 ARG 3 HH11 ARG 3 0.681 1.053 -2.454 33 HH12 ARG 3 HH12 ARG 3 0.017 0.301 -1.041 34 HH21 ARG 3 HH21 ARG 3 1.825 2.270 1.214 35 HH22 ARG 3 HH22 ARG 3 0.654 1.000 1.036 36 H ALA 4 H ALA 4 5.528 6.511 -2.516 37 HA ALA 4 HA ALA 4 3.565 8.511 -3.087 38 HB1 ALA 4 HB1 ALA 4 4.271 7.980 -0.787 39 HB2 ALA 4 HB2 ALA 4 4.513 9.692 -1.131 40 HB3 ALA 4 HB3 ALA 4 5.893 8.591 -1.124 41 H ALA 5 H ALA 5 7.131 8.511 -3.231 42 HA ALA 5 HA ALA 5 7.525 11.058 -4.409 43 HB1 ALA 5 HB1 ALA 5 9.284 8.584 -4.582 44 HB2 ALA 5 HB2 ALA 5 9.334 9.807 -3.310 45 HB3 ALA 5 HB3 ALA 5 9.784 10.232 -4.963 46 H ALA 6 H ALA 6 7.003 7.854 -5.735 47 HA ALA 6 HA ALA 6 7.476 8.306 -8.475 48 HB1 ALA 6 HB1 ALA 6 5.628 6.292 -7.154 49 HB2 ALA 6 HB2 ALA 6 7.352 6.068 -7.456 50 HB3 ALA 6 HB3 ALA 6 6.228 6.213 -8.809 51 H LYS 7 H LYS 7 4.454 8.389 -6.586 52 HA LYS 7 HA LYS 7 2.603 9.013 -8.594 53 HB2 LYS 7 HB2 LYS 7 1.823 8.280 -6.426 54 HB3 LYS 7 HB3 LYS 7 2.644 9.596 -5.603 55 HG2 LYS 7 HG2 LYS 7 0.206 9.930 -5.634 56 HG3 LYS 7 HG3 LYS 7 1.043 11.217 -6.502 57 HD2 LYS 7 HD2 LYS 7 0.457 10.123 -8.665 58 HD3 LYS 7 HD3 LYS 7 -0.389 8.851 -7.777 59 HE2 LYS 7 HE2 LYS 7 -1.998 10.481 -6.906 60 HE3 LYS 7 HE3 LYS 7 -1.124 11.804 -7.678 61 HZ1 LYS 7 HZ1 LYS 7 -3.061 11.158 -8.947 62 HZ2 LYS 7 HZ2 LYS 7 -2.480 9.577 -9.087 63 HZ3 LYS 7 HZ3 LYS 7 -1.649 10.847 -9.823 64 H HIS 8 H HIS 8 4.420 11.152 -6.433 65 HA HIS 8 HA HIS 8 3.327 13.593 -7.402 66 HB2 HIS 8 HB2 HIS 8 5.836 13.074 -5.753 67 HB3 HIS 8 HB3 HIS 8 5.165 14.676 -6.074 68 HD1 HIS 8 HD1 HIS 8 2.139 13.252 -5.684 69 HD2 HIS 8 HD2 HIS 8 5.250 13.673 -2.979 70 HE1 HIS 8 HE1 HIS 8 1.085 13.086 -3.429 71 HE2 HIS 8 HE2 HIS 8 2.996 13.268 -1.801 72 H LEU 9 H LEU 9 6.123 11.666 -8.345 73 HA LEU 9 HA LEU 9 7.395 13.578 -10.018 74 HB2 LEU 9 HB2 LEU 9 7.768 10.750 -9.368 75 HB3 LEU 9 HB3 LEU 9 7.934 10.960 -11.097 76 HG LEU 9 HG LEU 9 10.122 11.077 -9.958 77 HD11 LEU 9 HD11 LEU 9 9.290 13.742 -11.145 78 HD12 LEU 9 HD12 LEU 9 9.834 12.323 -12.040 79 HD13 LEU 9 HD13 LEU 9 10.946 13.153 -10.957 80 HD21 LEU 9 HD21 LEU 9 9.039 13.535 -8.542 81 HD22 LEU 9 HD22 LEU 9 10.686 12.905 -8.450 82 HD23 LEU 9 HD23 LEU 9 9.350 11.965 -7.792 83 H ILE 10 H ILE 10 5.039 11.004 -10.711 84 HA ILE 10 HA ILE 10 4.667 11.426 -13.457 85 HB ILE 10 HB ILE 10 2.614 10.508 -11.384 86 HG12 ILE 10 HG12 ILE 10 4.322 8.769 -13.243 87 HG13 ILE 10 HG13 ILE 10 4.749 9.111 -11.572 88 HG21 ILE 10 HG21 ILE 10 2.519 10.178 -14.418 89 HG22 ILE 10 HG22 ILE 10 1.466 11.209 -13.449 90 HG23 ILE 10 HG23 ILE 10 1.381 9.459 -13.271 91 HD11 ILE 10 HD11 ILE 10 2.287 7.631 -12.498 92 HD12 ILE 10 HD12 ILE 10 2.722 7.960 -10.818 93 HD13 ILE 10 HD13 ILE 10 3.745 6.921 -11.807 94 H GLU 11 H GLU 11 3.222 13.032 -10.652 95 HA GLU 11 HA GLU 11 1.393 14.700 -12.068 96 HB2 GLU 11 HB2 GLU 11 2.550 14.962 -9.278 97 HB3 GLU 11 HB3 GLU 11 1.255 15.975 -9.909 98 HG2 GLU 11 HG2 GLU 11 -0.191 13.979 -10.158 99 HG3 GLU 11 HG3 GLU 11 1.112 12.966 -9.536 100 H ARG 12 H ARG 12 4.796 15.063 -11.196 101 HA ARG 12 HA ARG 12 5.012 17.868 -11.710 102 HB2 ARG 12 HB2 ARG 12 7.151 15.693 -11.723 103 HB3 ARG 12 HB3 ARG 12 7.498 17.408 -11.870 104 HG2 ARG 12 HG2 ARG 12 6.222 16.089 -9.448 105 HG3 ARG 12 HG3 ARG 12 7.919 16.532 -9.596 106 HD2 ARG 12 HD2 ARG 12 6.831 18.222 -8.285 107 HD3 ARG 12 HD3 ARG 12 7.201 18.930 -9.858 108 HE ARG 12 HE ARG 12 4.495 17.879 -9.276 109 HH11 ARG 12 HH11 ARG 12 6.521 20.595 -10.177 110 HH12 ARG 12 HH12 ARG 12 5.180 21.663 -10.458 111 HH21 ARG 12 HH21 ARG 12 2.745 19.262 -9.702 112 HH22 ARG 12 HH22 ARG 12 3.032 20.902 -10.193 113 H TYR 13 H TYR 13 5.673 14.968 -13.639 114 HA TYR 13 HA TYR 13 6.324 16.270 -16.064 115 HB2 TYR 13 HB2 TYR 13 5.280 13.469 -15.510 116 HB3 TYR 13 HB3 TYR 13 5.783 14.007 -17.111 117 HD1 TYR 13 HD1 TYR 13 8.277 15.142 -17.114 118 HD2 TYR 13 HD2 TYR 13 6.888 12.262 -14.272 119 HE1 TYR 13 HE1 TYR 13 10.593 14.467 -16.647 120 HE2 TYR 13 HE2 TYR 13 9.199 11.608 -13.812 121 HH TYR 13 HH TYR 13 11.360 11.654 -14.940 122 H TYR 14 H TYR 14 3.249 15.112 -14.719 123 HA TYR 14 HA TYR 14 1.578 15.497 -16.956 124 HB2 TYR 14 HB2 TYR 14 0.882 14.167 -14.960 125 HB3 TYR 14 HB3 TYR 14 0.834 15.642 -13.998 126 HD1 TYR 14 HD1 TYR 14 -0.651 14.153 -17.102 127 HD2 TYR 14 HD2 TYR 14 -1.239 16.826 -13.823 128 HE1 TYR 14 HE1 TYR 14 -2.958 14.543 -17.828 129 HE2 TYR 14 HE2 TYR 14 -3.538 17.223 -14.559 130 HH TYR 14 HH TYR 14 -5.048 15.291 -16.995 131 H HIS 15 H HIS 15 2.359 17.590 -14.226 132 HA HIS 15 HA HIS 15 0.933 19.907 -14.901 133 HB2 HIS 15 HB2 HIS 15 1.809 19.872 -12.704 134 HB3 HIS 15 HB3 HIS 15 3.404 19.350 -13.221 135 HD1 HIS 15 HD1 HIS 15 1.226 22.460 -13.257 136 HD2 HIS 15 HD2 HIS 15 5.236 21.400 -13.452 137 HE1 HIS 15 HE1 HIS 15 2.496 24.617 -13.229 138 HE2 HIS 15 HE2 HIS 15 4.914 23.940 -13.158 139 H GLN 16 H GLN 16 4.057 18.682 -15.958 140 HA GLN 16 HA GLN 16 4.981 21.034 -17.247 141 HB2 GLN 16 HB2 GLN 16 6.502 19.284 -16.428 142 HB3 GLN 16 HB3 GLN 16 5.834 18.132 -17.575 143 HG2 GLN 16 HG2 GLN 16 6.767 19.353 -19.445 144 HG3 GLN 16 HG3 GLN 16 7.287 20.667 -18.395 145 HE21 GLN 16 HE21 GLN 16 7.927 17.356 -19.363 146 HE22 GLN 16 HE22 GLN 16 9.522 17.269 -18.695 147 H LEU 17 H LEU 17 2.944 18.342 -18.384 148 HA LEU 17 HA LEU 17 3.086 19.285 -21.163 149 HB2 LEU 17 HB2 LEU 17 1.518 17.025 -19.878 150 HB3 LEU 17 HB3 LEU 17 1.211 17.528 -21.526 151 HG LEU 17 HG LEU 17 2.591 15.636 -21.728 152 HD11 LEU 17 HD11 LEU 17 3.305 17.457 -23.198 153 HD12 LEU 17 HD12 LEU 17 4.655 16.416 -22.760 154 HD13 LEU 17 HD13 LEU 17 4.479 17.995 -21.990 155 HD21 LEU 17 HD21 LEU 17 3.325 15.433 -19.417 156 HD22 LEU 17 HD22 LEU 17 4.464 16.764 -19.639 157 HD23 LEU 17 HD23 LEU 17 4.678 15.253 -20.529 158 H THR 18 H THR 18 0.779 19.462 -18.457 159 HA THR 18 HA THR 18 -1.400 20.454 -20.071 160 HB THR 18 HB THR 18 -2.518 20.854 -17.812 161 HG1 THR 18 HG1 THR 18 -0.993 19.479 -16.209 162 HG21 THR 18 HG21 THR 18 -2.776 18.455 -17.265 163 HG22 THR 18 HG22 THR 18 -1.356 18.068 -18.235 164 HG23 THR 18 HG23 THR 18 -2.810 18.696 -19.012 165 H GLU 19 H GLU 19 0.984 21.891 -17.908 166 HA GLU 19 HA GLU 19 0.005 24.626 -18.538 167 HB2 GLU 19 HB2 GLU 19 1.421 23.612 -16.033 168 HB3 GLU 19 HB3 GLU 19 0.929 25.279 -16.320 169 HG2 GLU 19 HG2 GLU 19 -1.448 24.573 -16.368 170 HG3 GLU 19 HG3 GLU 19 -0.955 22.904 -16.087 171 H GLY 20 H GLY 20 2.957 22.892 -17.539 172 HA2 GLY 20 HA2 GLY 20 4.870 22.889 -19.100 173 HA3 GLY 20 HA3 GLY 20 4.576 24.603 -19.344 174 H CYS 21 H CYS 21 5.938 25.848 -18.291 175 HA CYS 21 HA CYS 21 6.636 25.357 -15.496 176 HB2 CYS 21 HB2 CYS 21 9.112 25.617 -15.972 177 HB3 CYS 21 HB3 CYS 21 8.406 24.120 -16.566 178 H GLY 22 H GLY 22 5.568 27.492 -17.711 179 HA2 GLY 22 HA2 GLY 22 5.190 29.777 -17.488 180 HA3 GLY 22 HA3 GLY 22 6.380 29.848 -16.196 181 H ASN 23 H ASN 23 8.578 28.757 -17.420 182 HA ASN 23 HA ASN 23 9.742 30.693 -19.048 183 HB2 ASN 23 HB2 ASN 23 11.054 29.092 -17.726 184 HB3 ASN 23 HB3 ASN 23 10.421 27.741 -18.655 185 HD21 ASN 23 HD21 ASN 23 11.606 30.810 -19.995 186 HD22 ASN 23 HD22 ASN 23 12.960 30.127 -20.823 187 H GLU 24 H GLU 24 8.771 31.265 -20.943 188 HA GLU 24 HA GLU 24 7.599 29.432 -22.815 189 HB2 GLU 24 HB2 GLU 24 7.392 31.402 -24.319 190 HB3 GLU 24 HB3 GLU 24 6.751 31.714 -22.712 191 HG2 GLU 24 HG2 GLU 24 8.765 32.987 -22.119 192 HG3 GLU 24 HG3 GLU 24 9.479 32.625 -23.687 193 H ALA 25 H ALA 25 10.726 31.000 -22.474 194 HA ALA 25 HA ALA 25 11.827 29.885 -24.939 195 HB1 ALA 25 HB1 ALA 25 12.498 32.144 -24.211 196 HB2 ALA 25 HB2 ALA 25 13.888 31.060 -24.268 197 HB3 ALA 25 HB3 ALA 25 13.157 31.480 -22.717 198 H CYS 26 H CYS 26 11.032 27.764 -23.953 199 HA CYS 26 HA CYS 26 13.053 26.497 -22.186 200 HB2 CYS 26 HB2 CYS 26 10.858 26.536 -21.134 201 HB3 CYS 26 HB3 CYS 26 10.093 25.897 -22.584 202 H THR 27 H THR 27 14.361 25.096 -23.236 203 HA THR 27 HA THR 27 13.726 24.160 -25.930 204 HB THR 27 HB THR 27 16.109 23.348 -25.919 205 HG1 THR 27 HG1 THR 27 16.680 22.941 -23.875 206 HG21 THR 27 HG21 THR 27 15.770 26.248 -25.052 207 HG22 THR 27 HG22 THR 27 15.627 25.644 -26.704 208 HG23 THR 27 HG23 THR 27 17.182 25.579 -25.875 209 H ASN 28 H ASN 28 11.913 22.913 -24.594 210 HA ASN 28 HA ASN 28 12.766 20.102 -24.532 211 HB2 ASN 28 HB2 ASN 28 12.789 20.844 -22.152 212 HB3 ASN 28 HB3 ASN 28 11.130 21.413 -22.301 213 HD21 ASN 28 HD21 ASN 28 10.664 20.008 -20.494 214 HD22 ASN 28 HD22 ASN 28 10.430 18.317 -20.726 215 H GLU 29 H GLU 29 11.600 19.259 -26.104 216 HA GLU 29 HA GLU 29 9.145 20.182 -27.176 217 HB2 GLU 29 HB2 GLU 29 9.163 18.022 -28.419 218 HB3 GLU 29 HB3 GLU 29 10.728 18.830 -28.465 219 HG2 GLU 29 HG2 GLU 29 11.475 17.324 -26.562 220 HG3 GLU 29 HG3 GLU 29 9.960 16.444 -26.744 221 H PHE 30 H PHE 30 9.881 18.057 -24.539 222 HA PHE 30 HA PHE 30 7.214 16.889 -24.247 223 HB2 PHE 30 HB2 PHE 30 9.713 16.644 -22.503 224 HB3 PHE 30 HB3 PHE 30 8.263 15.661 -22.369 225 HD1 PHE 30 HD1 PHE 30 7.574 14.667 -24.901 226 HD2 PHE 30 HD2 PHE 30 11.515 15.435 -23.407 227 HE1 PHE 30 HE1 PHE 30 8.500 12.995 -26.460 228 HE2 PHE 30 HE2 PHE 30 12.422 13.761 -24.963 229 HZ PHE 30 HZ PHE 30 10.923 12.541 -26.488 230 H CYS 31 H CYS 31 7.212 19.729 -24.044 231 HA CYS 31 HA CYS 31 6.354 20.218 -21.309 232 HB2 CYS 31 HB2 CYS 31 8.824 20.650 -21.280 233 HB3 CYS 31 HB3 CYS 31 8.617 21.854 -22.531 234 H ALA 32 H ALA 32 4.855 21.798 -21.225 235 HA ALA 32 HA ALA 32 3.890 23.058 -23.643 236 HB1 ALA 32 HB1 ALA 32 2.010 23.789 -22.223 237 HB2 ALA 32 HB2 ALA 32 2.819 23.129 -20.800 238 HB3 ALA 32 HB3 ALA 32 2.277 22.052 -22.086 239 H SER 33 H SER 33 3.259 25.377 -23.502 240 HA SER 33 HA SER 33 3.846 27.538 -23.593 241 HB2 SER 33 HB2 SER 33 5.657 27.059 -21.178 242 HB3 SER 33 HB3 SER 33 5.109 28.624 -21.775 243 HG SER 33 HG SER 33 3.564 26.566 -20.572 244 H CYS 34 H CYS 34 5.850 25.060 -24.359 245 HA CYS 34 HA CYS 34 8.204 26.615 -25.125 246 HB2 CYS 34 HB2 CYS 34 7.573 23.649 -25.496 247 HB3 CYS 34 HB3 CYS 34 9.151 24.417 -25.711 248 HG CYS 34 HG CYS 34 7.602 24.662 -22.702 249 HA PRO 35 HA PRO 35 6.820 27.309 -29.402 250 HB2 PRO 35 HB2 PRO 35 9.654 26.723 -30.214 251 HB3 PRO 35 HB3 PRO 35 8.677 28.165 -30.517 252 HG2 PRO 35 HG2 PRO 35 10.674 28.151 -28.701 253 HG3 PRO 35 HG3 PRO 35 9.199 29.105 -28.461 254 HD2 PRO 35 HD2 PRO 35 10.007 26.510 -27.191 255 HD3 PRO 35 HD3 PRO 35 9.107 27.873 -26.495 256 H THR 36 H THR 36 8.759 24.557 -28.508 257 HA THR 36 HA THR 36 8.245 22.979 -30.896 258 HB THR 36 HB THR 36 9.734 21.315 -29.684 259 HG1 THR 36 HG1 THR 36 9.391 21.804 -27.545 260 HG21 THR 36 HG21 THR 36 10.860 24.145 -29.889 261 HG22 THR 36 HG22 THR 36 10.737 22.987 -31.219 262 HG23 THR 36 HG23 THR 36 11.809 22.656 -29.859 263 H PHE 37 H PHE 37 6.123 23.677 -28.616 264 HA PHE 37 HA PHE 37 5.219 20.910 -28.047 265 HB2 PHE 37 HB2 PHE 37 5.520 22.413 -26.065 266 HB3 PHE 37 HB3 PHE 37 4.330 23.521 -26.740 267 HD1 PHE 37 HD1 PHE 37 4.703 19.933 -25.675 268 HD2 PHE 37 HD2 PHE 37 2.055 23.273 -26.075 269 HE1 PHE 37 HE1 PHE 37 2.937 18.684 -24.507 270 HE2 PHE 37 HE2 PHE 37 0.301 22.014 -24.902 271 HZ PHE 37 HZ PHE 37 0.738 19.719 -24.115 272 H LEU 38 H LEU 38 3.424 20.151 -28.987 273 HA LEU 38 HA LEU 38 1.505 21.976 -30.328 274 HB2 LEU 38 HB2 LEU 38 1.999 18.984 -30.706 275 HB3 LEU 38 HB3 LEU 38 0.650 19.841 -31.423 276 HG LEU 38 HG LEU 38 2.277 19.551 -33.151 277 HD11 LEU 38 HD11 LEU 38 2.801 21.831 -33.852 278 HD12 LEU 38 HD12 LEU 38 2.491 22.430 -32.221 279 HD13 LEU 38 HD13 LEU 38 1.177 21.737 -33.174 280 HD21 LEU 38 HD21 LEU 38 4.620 20.258 -33.031 281 HD22 LEU 38 HD22 LEU 38 4.261 19.072 -31.779 282 HD23 LEU 38 HD23 LEU 38 4.399 20.780 -31.357 283 H ARG 39 H ARG 39 -0.710 21.786 -29.789 284 HA ARG 39 HA ARG 39 -1.268 21.226 -27.058 285 HB2 ARG 39 HB2 ARG 39 -3.029 22.003 -29.406 286 HB3 ARG 39 HB3 ARG 39 -3.763 21.555 -27.868 287 HG2 ARG 39 HG2 ARG 39 -1.789 23.818 -28.287 288 HG3 ARG 39 HG3 ARG 39 -3.536 23.993 -28.089 289 HD2 ARG 39 HD2 ARG 39 -3.355 22.979 -25.815 290 HD3 ARG 39 HD3 ARG 39 -1.599 22.888 -26.006 291 HE ARG 39 HE ARG 39 -3.220 25.342 -25.748 292 HH11 ARG 39 HH11 ARG 39 -0.045 23.863 -25.782 293 HH12 ARG 39 HH12 ARG 39 0.730 25.252 -25.096 294 HH21 ARG 39 HH21 ARG 39 -2.191 27.143 -24.872 295 HH22 ARG 39 HH22 ARG 39 -0.480 27.107 -24.581 296 H MET 40 H MET 40 -1.455 19.304 -26.215 297 HA MET 40 HA MET 40 -2.837 17.091 -27.621 298 HB2 MET 40 HB2 MET 40 -1.586 15.575 -26.128 299 HB3 MET 40 HB3 MET 40 -0.475 16.606 -27.007 300 HG2 MET 40 HG2 MET 40 -0.483 18.093 -24.868 301 HG3 MET 40 HG3 MET 40 -1.173 16.675 -24.072 302 HE1 MET 40 HE1 MET 40 1.797 14.068 -24.963 303 HE2 MET 40 HE2 MET 40 0.532 14.498 -26.113 304 HE3 MET 40 HE3 MET 40 0.123 14.179 -24.425 305 H ASP 41 H ASP 41 -4.174 15.745 -26.189 306 HA ASP 41 HA ASP 41 -5.967 17.305 -24.577 307 HB2 ASP 41 HB2 ASP 41 -5.835 14.313 -25.185 308 HB3 ASP 41 HB3 ASP 41 -7.116 15.054 -24.223 309 H ASN 42 H ASN 42 -6.678 16.492 -22.379 310 HA ASN 42 HA ASN 42 -4.453 16.560 -20.567 311 HB2 ASN 42 HB2 ASN 42 -7.432 16.182 -20.039 312 HB3 ASN 42 HB3 ASN 42 -6.220 16.409 -18.776 313 HD21 ASN 42 HD21 ASN 42 -8.544 18.089 -19.567 314 HD22 ASN 42 HD22 ASN 42 -7.892 19.664 -19.850 315 H ASN 43 H ASN 43 -6.629 14.032 -21.706 316 HA ASN 43 HA ASN 43 -5.589 11.932 -20.042 317 HB2 ASN 43 HB2 ASN 43 -7.129 11.839 -22.677 318 HB3 ASN 43 HB3 ASN 43 -6.688 10.405 -21.750 319 HD21 ASN 43 HD21 ASN 43 -8.888 9.863 -21.464 320 HD22 ASN 43 HD22 ASN 43 -9.914 10.724 -20.375 321 H ALA 44 H ALA 44 -4.766 13.244 -23.225 322 HA ALA 44 HA ALA 44 -2.737 11.368 -23.940 323 HB1 ALA 44 HB1 ALA 44 -3.787 12.863 -25.604 324 HB2 ALA 44 HB2 ALA 44 -2.034 13.049 -25.599 325 HB3 ALA 44 HB3 ALA 44 -3.050 14.265 -24.822 326 H ALA 45 H ALA 45 -2.796 14.281 -22.005 327 HA ALA 45 HA ALA 45 0.034 14.602 -21.656 328 HB1 ALA 45 HB1 ALA 45 -0.593 16.307 -19.985 329 HB2 ALA 45 HB2 ALA 45 -2.279 15.792 -20.086 330 HB3 ALA 45 HB3 ALA 45 -1.496 16.522 -21.487 331 H ALA 46 H ALA 46 -2.561 12.911 -19.987 332 HA ALA 46 HA ALA 46 -1.141 12.178 -17.620 333 HB1 ALA 46 HB1 ALA 46 -3.596 12.129 -17.740 334 HB2 ALA 46 HB2 ALA 46 -2.955 10.554 -17.272 335 HB3 ALA 46 HB3 ALA 46 -3.524 10.820 -18.923 336 H ILE 47 H ILE 47 -1.753 10.532 -20.714 337 HA ILE 47 HA ILE 47 -0.225 8.204 -20.319 338 HB ILE 47 HB ILE 47 -0.784 9.753 -22.900 339 HG12 ILE 47 HG12 ILE 47 -2.841 8.896 -21.837 340 HG13 ILE 47 HG13 ILE 47 -2.522 7.992 -23.310 341 HG21 ILE 47 HG21 ILE 47 1.204 8.375 -23.278 342 HG22 ILE 47 HG22 ILE 47 -0.160 7.687 -24.155 343 HG23 ILE 47 HG23 ILE 47 0.384 6.944 -22.649 344 HD11 ILE 47 HD11 ILE 47 -1.993 7.059 -20.484 345 HD12 ILE 47 HD12 ILE 47 -1.608 6.148 -21.946 346 HD13 ILE 47 HD13 ILE 47 -3.285 6.517 -21.556 347 H LYS 48 H LYS 48 0.654 11.409 -21.572 348 HA LYS 48 HA LYS 48 3.347 10.821 -22.227 349 HB2 LYS 48 HB2 LYS 48 1.836 12.794 -23.051 350 HB3 LYS 48 HB3 LYS 48 2.363 13.616 -21.592 351 HG2 LYS 48 HG2 LYS 48 3.770 14.351 -23.374 352 HG3 LYS 48 HG3 LYS 48 4.742 13.299 -22.339 353 HD2 LYS 48 HD2 LYS 48 4.501 11.448 -23.928 354 HD3 LYS 48 HD3 LYS 48 3.390 12.406 -24.914 355 HE2 LYS 48 HE2 LYS 48 5.242 14.047 -25.315 356 HE3 LYS 48 HE3 LYS 48 6.338 12.968 -24.450 357 HZ1 LYS 48 HZ1 LYS 48 4.820 12.254 -26.895 358 HZ2 LYS 48 HZ2 LYS 48 5.959 11.289 -26.105 359 HZ3 LYS 48 HZ3 LYS 48 6.443 12.719 -26.868 360 H ALA 49 H ALA 49 1.776 11.972 -19.303 361 HA ALA 49 HA ALA 49 3.984 12.732 -17.751 362 HB1 ALA 49 HB1 ALA 49 2.544 12.334 -15.799 363 HB2 ALA 49 HB2 ALA 49 1.399 11.443 -16.804 364 HB3 ALA 49 HB3 ALA 49 1.654 13.167 -17.074 365 H LEU 50 H LEU 50 2.413 9.561 -18.143 366 HA LEU 50 HA LEU 50 4.275 8.093 -16.548 367 HB2 LEU 50 HB2 LEU 50 2.118 7.294 -18.510 368 HB3 LEU 50 HB3 LEU 50 3.264 6.084 -17.975 369 HG LEU 50 HG LEU 50 1.242 5.897 -16.654 370 HD11 LEU 50 HD11 LEU 50 3.352 5.413 -15.505 371 HD12 LEU 50 HD12 LEU 50 2.150 6.052 -14.389 372 HD13 LEU 50 HD13 LEU 50 3.460 7.090 -14.955 373 HD21 LEU 50 HD21 LEU 50 0.415 7.693 -15.192 374 HD22 LEU 50 HD22 LEU 50 0.355 8.156 -16.890 375 HD23 LEU 50 HD23 LEU 50 1.629 8.794 -15.851 376 H GLU 51 H GLU 51 4.168 8.898 -20.006 377 HA GLU 51 HA GLU 51 6.210 7.239 -20.997 378 HB2 GLU 51 HB2 GLU 51 5.418 10.057 -21.835 379 HB3 GLU 51 HB3 GLU 51 6.530 9.058 -22.756 380 HG2 GLU 51 HG2 GLU 51 3.653 8.276 -22.191 381 HG3 GLU 51 HG3 GLU 51 4.160 9.166 -23.622 382 H LEU 52 H LEU 52 6.364 10.546 -19.742 383 HA LEU 52 HA LEU 52 9.200 10.820 -19.992 384 HB2 LEU 52 HB2 LEU 52 7.326 12.562 -18.377 385 HB3 LEU 52 HB3 LEU 52 8.928 12.979 -18.965 386 HG LEU 52 HG LEU 52 6.382 12.684 -20.580 387 HD11 LEU 52 HD11 LEU 52 6.618 14.799 -19.408 388 HD12 LEU 52 HD12 LEU 52 6.758 15.030 -21.148 389 HD13 LEU 52 HD13 LEU 52 8.206 15.053 -20.140 390 HD21 LEU 52 HD21 LEU 52 9.176 13.065 -21.691 391 HD22 LEU 52 HD22 LEU 52 7.676 13.182 -22.609 392 HD23 LEU 52 HD23 LEU 52 8.151 11.641 -21.901 393 H TYR 53 H TYR 53 7.027 9.753 -17.508 394 HA TYR 53 HA TYR 53 8.720 9.961 -15.263 395 HB2 TYR 53 HB2 TYR 53 6.354 9.614 -14.933 396 HB3 TYR 53 HB3 TYR 53 6.361 8.131 -15.881 397 HD1 TYR 53 HD1 TYR 53 7.848 9.597 -12.733 398 HD2 TYR 53 HD2 TYR 53 6.508 6.056 -14.735 399 HE1 TYR 53 HE1 TYR 53 8.250 8.283 -10.698 400 HE2 TYR 53 HE2 TYR 53 6.905 4.765 -12.687 401 HH TYR 53 HH TYR 53 8.324 4.923 -10.678 402 H LYS 54 H LYS 54 8.133 7.265 -17.541 403 HA LYS 54 HA LYS 54 9.891 5.463 -16.137 404 HB2 LYS 54 HB2 LYS 54 9.362 3.853 -17.936 405 HB3 LYS 54 HB3 LYS 54 7.916 4.572 -17.242 406 HG2 LYS 54 HG2 LYS 54 7.791 6.116 -19.217 407 HG3 LYS 54 HG3 LYS 54 9.162 5.256 -19.927 408 HD2 LYS 54 HD2 LYS 54 7.861 3.164 -19.960 409 HD3 LYS 54 HD3 LYS 54 6.494 3.974 -19.192 410 HE2 LYS 54 HE2 LYS 54 6.103 3.741 -21.593 411 HE3 LYS 54 HE3 LYS 54 6.270 5.442 -21.167 412 HZ1 LYS 54 HZ1 LYS 54 8.501 5.435 -22.010 413 HZ2 LYS 54 HZ2 LYS 54 7.457 4.834 -23.195 414 HZ3 LYS 54 HZ3 LYS 54 8.436 3.772 -22.316 415 H ILE 55 H ILE 55 10.173 7.469 -19.078 416 HA ILE 55 HA ILE 55 12.863 6.465 -19.660 417 HB ILE 55 HB ILE 55 12.903 7.957 -21.569 418 HG12 ILE 55 HG12 ILE 55 10.330 9.235 -20.501 419 HG13 ILE 55 HG13 ILE 55 11.905 10.012 -20.540 420 HG21 ILE 55 HG21 ILE 55 10.117 6.731 -21.323 421 HG22 ILE 55 HG22 ILE 55 11.579 5.879 -21.822 422 HG23 ILE 55 HG23 ILE 55 10.925 7.164 -22.836 423 HD11 ILE 55 HD11 ILE 55 10.502 10.840 -22.308 424 HD12 ILE 55 HD12 ILE 55 10.240 9.210 -22.923 425 HD13 ILE 55 HD13 ILE 55 11.847 9.936 -23.004 426 H ASN 56 H ASN 56 11.500 8.768 -17.583 427 HA ASN 56 HA ASN 56 12.215 10.455 -16.273 428 HB2 ASN 56 HB2 ASN 56 14.929 9.128 -16.671 429 HB3 ASN 56 HB3 ASN 56 14.572 10.322 -15.427 430 HD21 ASN 56 HD21 ASN 56 14.008 7.025 -16.489 431 HD22 ASN 56 HD22 ASN 56 13.373 6.448 -14.991 432 H ALA 57 H ALA 57 11.603 11.532 -18.444 433 HA ALA 57 HA ALA 57 13.652 12.726 -20.044 434 HB1 ALA 57 HB1 ALA 57 11.803 13.897 -21.176 435 HB2 ALA 57 HB2 ALA 57 10.685 13.350 -19.923 436 HB3 ALA 57 HB3 ALA 57 11.455 12.178 -20.992 437 H LYS 58 H LYS 58 13.192 15.235 -20.503 438 HA LYS 58 HA LYS 58 14.574 16.567 -18.453 439 HB2 LYS 58 HB2 LYS 58 13.092 17.798 -20.819 440 HB3 LYS 58 HB3 LYS 58 14.374 18.568 -19.889 441 HG2 LYS 58 HG2 LYS 58 14.697 16.070 -21.567 442 HG3 LYS 58 HG3 LYS 58 15.146 17.696 -22.090 443 HD2 LYS 58 HD2 LYS 58 16.361 16.145 -19.766 444 HD3 LYS 58 HD3 LYS 58 17.110 16.416 -21.341 445 HE2 LYS 58 HE2 LYS 58 17.089 18.879 -20.880 446 HE3 LYS 58 HE3 LYS 58 16.445 18.544 -19.274 447 HZ1 LYS 58 HZ1 LYS 58 19.063 17.643 -20.327 448 HZ2 LYS 58 HZ2 LYS 58 18.447 17.254 -18.804 449 HZ3 LYS 58 HZ3 LYS 58 18.810 18.860 -19.181 450 H LEU 59 H LEU 59 13.543 16.718 -16.543 451 HA LEU 59 HA LEU 59 10.849 17.840 -16.320 452 HB2 LEU 59 HB2 LEU 59 11.593 15.857 -14.951 453 HB3 LEU 59 HB3 LEU 59 12.731 16.903 -14.118 454 HG LEU 59 HG LEU 59 10.821 18.268 -13.241 455 HD11 LEU 59 HD11 LEU 59 9.194 17.867 -15.049 456 HD12 LEU 59 HD12 LEU 59 8.507 17.486 -13.474 457 HD13 LEU 59 HD13 LEU 59 9.030 16.181 -14.539 458 HD21 LEU 59 HD21 LEU 59 11.708 16.449 -11.848 459 HD22 LEU 59 HD22 LEU 59 10.604 15.295 -12.604 460 HD23 LEU 59 HD23 LEU 59 9.969 16.614 -11.612 461 H CYS 60 H CYS 60 10.482 19.922 -15.877 462 HA CYS 60 HA CYS 60 12.710 21.797 -15.826 463 HB2 CYS 60 HB2 CYS 60 9.717 22.262 -16.059 464 HB3 CYS 60 HB3 CYS 60 10.955 23.502 -16.248 465 H ASP 61 H ASP 61 11.309 20.267 -13.305 466 HA ASP 61 HA ASP 61 10.687 22.429 -11.544 467 HB2 ASP 61 HB2 ASP 61 11.110 19.453 -11.130 468 HB3 ASP 61 HB3 ASP 61 10.890 20.525 -9.751 469 HA PRO 62 HA PRO 62 14.732 23.887 -10.239 470 HB2 PRO 62 HB2 PRO 62 13.396 24.067 -7.532 471 HB3 PRO 62 HB3 PRO 62 14.350 25.283 -8.398 472 HG2 PRO 62 HG2 PRO 62 11.697 25.481 -8.341 473 HG3 PRO 62 HG3 PRO 62 12.573 25.818 -9.852 474 HD2 PRO 62 HD2 PRO 62 11.002 23.367 -9.070 475 HD3 PRO 62 HD3 PRO 62 11.108 24.187 -10.643 476 H HIS 63 H HIS 63 16.580 22.983 -9.457 477 HA HIS 63 HA HIS 63 16.414 20.365 -8.091 478 HB2 HIS 63 HB2 HIS 63 18.688 21.592 -9.710 479 HB3 HIS 63 HB3 HIS 63 18.665 19.961 -9.044 480 HD1 HIS 63 HD1 HIS 63 17.961 21.753 -12.092 481 HD2 HIS 63 HD2 HIS 63 16.385 18.392 -10.226 482 HE1 HIS 63 HE1 HIS 63 16.658 20.546 -13.861 483 HE2 HIS 63 HE2 HIS 63 15.857 18.438 -12.753 484 HA PRO 64 HA PRO 64 18.134 22.311 -4.383 485 HB2 PRO 64 HB2 PRO 64 18.998 19.581 -3.521 486 HB3 PRO 64 HB3 PRO 64 17.833 20.679 -2.769 487 HG2 PRO 64 HG2 PRO 64 17.016 18.447 -4.050 488 HG3 PRO 64 HG3 PRO 64 16.070 19.951 -4.122 489 HD2 PRO 64 HD2 PRO 64 18.001 18.826 -6.165 490 HD3 PRO 64 HD3 PRO 64 16.364 19.482 -6.412 Start of MODEL 8 1 H MET 1 H MET 1 9.246 3.348 -4.938 2 HA MET 1 HA MET 1 8.842 1.567 -3.400 3 HB2 MET 1 HB2 MET 1 9.891 1.595 -1.159 4 HB3 MET 1 HB3 MET 1 11.109 1.449 -2.415 5 HG2 MET 1 HG2 MET 1 11.659 3.839 -2.164 6 HG3 MET 1 HG3 MET 1 10.432 3.991 -0.907 7 HE1 MET 1 HE1 MET 1 13.440 4.932 -0.427 8 HE2 MET 1 HE2 MET 1 13.735 4.265 1.175 9 HE3 MET 1 HE3 MET 1 12.180 5.010 0.817 10 H LYS 2 H LYS 2 9.291 5.025 -2.961 11 HA LYS 2 HA LYS 2 6.977 5.293 -1.182 12 HB2 LYS 2 HB2 LYS 2 9.047 6.466 -0.575 13 HB3 LYS 2 HB3 LYS 2 9.070 7.305 -2.121 14 HG2 LYS 2 HG2 LYS 2 7.134 8.615 -1.539 15 HG3 LYS 2 HG3 LYS 2 6.825 7.637 -0.101 16 HD2 LYS 2 HD2 LYS 2 9.275 9.398 -0.518 17 HD3 LYS 2 HD3 LYS 2 7.853 9.853 0.421 18 HE2 LYS 2 HE2 LYS 2 8.272 7.974 1.969 19 HE3 LYS 2 HE3 LYS 2 9.703 7.519 1.040 20 HZ1 LYS 2 HZ1 LYS 2 10.701 9.639 1.598 21 HZ2 LYS 2 HZ2 LYS 2 10.256 8.820 3.006 22 HZ3 LYS 2 HZ3 LYS 2 9.315 10.105 2.444 23 H ARG 3 H ARG 3 5.136 5.203 -2.287 24 HA ARG 3 HA ARG 3 4.791 5.891 -5.024 25 HB2 ARG 3 HB2 ARG 3 2.876 5.070 -2.829 26 HB3 ARG 3 HB3 ARG 3 2.240 5.641 -4.363 27 HG2 ARG 3 HG2 ARG 3 2.286 3.224 -4.362 28 HG3 ARG 3 HG3 ARG 3 3.448 3.830 -5.541 29 HD2 ARG 3 HD2 ARG 3 5.288 3.398 -3.950 30 HD3 ARG 3 HD3 ARG 3 4.122 2.801 -2.763 31 HE ARG 3 HE ARG 3 4.914 1.500 -5.281 32 HH11 ARG 3 HH11 ARG 3 3.103 1.293 -2.272 33 HH12 ARG 3 HH12 ARG 3 2.855 -0.419 -2.403 34 HH21 ARG 3 HH21 ARG 3 4.601 -0.745 -5.422 35 HH22 ARG 3 HH22 ARG 3 3.689 -1.571 -4.199 36 H ALA 4 H ALA 4 4.684 7.833 -2.181 37 HA ALA 4 HA ALA 4 3.035 9.953 -3.202 38 HB1 ALA 4 HB1 ALA 4 5.076 9.998 -0.953 39 HB2 ALA 4 HB2 ALA 4 3.355 9.644 -0.784 40 HB3 ALA 4 HB3 ALA 4 3.880 11.252 -1.290 41 H ALA 5 H ALA 5 6.534 9.327 -2.999 42 HA ALA 5 HA ALA 5 7.415 11.705 -4.323 43 HB1 ALA 5 HB1 ALA 5 9.594 10.560 -4.491 44 HB2 ALA 5 HB2 ALA 5 8.843 9.040 -3.995 45 HB3 ALA 5 HB3 ALA 5 8.913 10.396 -2.870 46 H ALA 6 H ALA 6 6.530 8.460 -5.372 47 HA ALA 6 HA ALA 6 7.258 8.657 -8.112 48 HB1 ALA 6 HB1 ALA 6 5.822 6.691 -8.433 49 HB2 ALA 6 HB2 ALA 6 5.135 6.910 -6.819 50 HB3 ALA 6 HB3 ALA 6 6.838 6.495 -7.004 51 H LYS 7 H LYS 7 4.212 9.252 -6.349 52 HA LYS 7 HA LYS 7 2.580 9.881 -8.573 53 HB2 LYS 7 HB2 LYS 7 1.620 9.261 -6.384 54 HB3 LYS 7 HB3 LYS 7 2.301 10.706 -5.650 55 HG2 LYS 7 HG2 LYS 7 -0.106 10.977 -6.042 56 HG3 LYS 7 HG3 LYS 7 0.823 12.127 -7.009 57 HD2 LYS 7 HD2 LYS 7 0.559 10.636 -8.995 58 HD3 LYS 7 HD3 LYS 7 -0.406 9.532 -8.012 59 HE2 LYS 7 HE2 LYS 7 -2.080 11.334 -7.660 60 HE3 LYS 7 HE3 LYS 7 -1.127 12.408 -8.686 61 HZ1 LYS 7 HZ1 LYS 7 -1.452 10.867 -10.524 62 HZ2 LYS 7 HZ2 LYS 7 -2.939 11.394 -9.919 63 HZ3 LYS 7 HZ3 LYS 7 -2.368 9.847 -9.536 64 H HIS 8 H HIS 8 4.519 11.882 -6.384 65 HA HIS 8 HA HIS 8 3.837 14.409 -7.495 66 HB2 HIS 8 HB2 HIS 8 6.054 13.488 -5.656 67 HB3 HIS 8 HB3 HIS 8 6.076 15.121 -6.319 68 HD1 HIS 8 HD1 HIS 8 4.948 13.381 -3.438 69 HD2 HIS 8 HD2 HIS 8 3.430 16.482 -5.745 70 HE1 HIS 8 HE1 HIS 8 3.317 14.585 -1.968 71 HE2 HIS 8 HE2 HIS 8 2.441 16.484 -3.367 72 H LEU 9 H LEU 9 6.319 12.029 -8.279 73 HA LEU 9 HA LEU 9 7.845 13.686 -10.024 74 HB2 LEU 9 HB2 LEU 9 8.109 11.084 -8.969 75 HB3 LEU 9 HB3 LEU 9 7.925 10.801 -10.684 76 HG LEU 9 HG LEU 9 10.302 10.918 -9.999 77 HD11 LEU 9 HD11 LEU 9 9.748 11.521 -12.289 78 HD12 LEU 9 HD12 LEU 9 11.101 12.483 -11.705 79 HD13 LEU 9 HD13 LEU 9 9.492 13.204 -11.815 80 HD21 LEU 9 HD21 LEU 9 11.315 13.012 -9.241 81 HD22 LEU 9 HD22 LEU 9 10.062 12.495 -8.115 82 HD23 LEU 9 HD23 LEU 9 9.740 13.812 -9.248 83 H ILE 10 H ILE 10 5.254 11.317 -10.567 84 HA ILE 10 HA ILE 10 4.897 11.673 -13.358 85 HB ILE 10 HB ILE 10 2.844 10.827 -11.247 86 HG12 ILE 10 HG12 ILE 10 4.515 9.043 -13.086 87 HG13 ILE 10 HG13 ILE 10 4.923 9.377 -11.408 88 HG21 ILE 10 HG21 ILE 10 1.578 9.792 -13.117 89 HG22 ILE 10 HG22 ILE 10 2.734 10.458 -14.274 90 HG23 ILE 10 HG23 ILE 10 1.714 11.538 -13.320 91 HD11 ILE 10 HD11 ILE 10 2.453 7.944 -12.381 92 HD12 ILE 10 HD12 ILE 10 2.840 8.294 -10.694 93 HD13 ILE 10 HD13 ILE 10 3.875 7.218 -11.632 94 H GLU 11 H GLU 11 3.677 13.372 -10.519 95 HA GLU 11 HA GLU 11 1.706 15.011 -11.683 96 HB2 GLU 11 HB2 GLU 11 1.941 14.604 -9.227 97 HB3 GLU 11 HB3 GLU 11 3.401 15.572 -9.218 98 HG2 GLU 11 HG2 GLU 11 0.702 16.715 -10.011 99 HG3 GLU 11 HG3 GLU 11 1.241 16.652 -8.340 100 H ARG 12 H ARG 12 5.189 15.438 -11.199 101 HA ARG 12 HA ARG 12 5.301 18.125 -12.133 102 HB2 ARG 12 HB2 ARG 12 7.511 16.042 -11.913 103 HB3 ARG 12 HB3 ARG 12 7.774 17.753 -12.258 104 HG2 ARG 12 HG2 ARG 12 6.743 18.316 -10.066 105 HG3 ARG 12 HG3 ARG 12 6.583 16.601 -9.731 106 HD2 ARG 12 HD2 ARG 12 9.056 16.344 -9.921 107 HD3 ARG 12 HD3 ARG 12 9.192 18.096 -10.132 108 HE ARG 12 HE ARG 12 7.752 17.435 -7.757 109 HH11 ARG 12 HH11 ARG 12 11.037 17.554 -9.009 110 HH12 ARG 12 HH12 ARG 12 11.745 17.863 -7.461 111 HH21 ARG 12 HH21 ARG 12 8.715 17.811 -5.718 112 HH22 ARG 12 HH22 ARG 12 10.438 17.984 -5.603 113 H TYR 13 H TYR 13 5.610 14.986 -13.747 114 HA TYR 13 HA TYR 13 6.389 16.041 -16.299 115 HB2 TYR 13 HB2 TYR 13 5.299 13.351 -15.423 116 HB3 TYR 13 HB3 TYR 13 5.504 13.718 -17.131 117 HD1 TYR 13 HD1 TYR 13 7.923 14.698 -17.770 118 HD2 TYR 13 HD2 TYR 13 7.126 12.261 -14.347 119 HE1 TYR 13 HE1 TYR 13 10.281 14.011 -17.707 120 HE2 TYR 13 HE2 TYR 13 9.483 11.586 -14.290 121 HH TYR 13 HH TYR 13 11.380 11.413 -15.840 122 H TYR 14 H TYR 14 3.246 15.172 -14.872 123 HA TYR 14 HA TYR 14 1.650 15.664 -17.186 124 HB2 TYR 14 HB2 TYR 14 0.909 14.228 -15.271 125 HB3 TYR 14 HB3 TYR 14 0.818 15.656 -14.244 126 HD1 TYR 14 HD1 TYR 14 -0.717 13.958 -17.185 127 HD2 TYR 14 HD2 TYR 14 -1.125 17.157 -14.375 128 HE1 TYR 14 HE1 TYR 14 -3.018 14.345 -17.941 129 HE2 TYR 14 HE2 TYR 14 -3.415 17.541 -15.137 130 HH TYR 14 HH TYR 14 -5.073 15.318 -17.162 131 H HIS 15 H HIS 15 2.616 17.569 -14.423 132 HA HIS 15 HA HIS 15 1.173 19.965 -14.863 133 HB2 HIS 15 HB2 HIS 15 2.312 19.324 -12.711 134 HB3 HIS 15 HB3 HIS 15 3.878 19.534 -13.474 135 HD1 HIS 15 HD1 HIS 15 1.930 21.135 -11.124 136 HD2 HIS 15 HD2 HIS 15 3.877 22.543 -14.518 137 HE1 HIS 15 HE1 HIS 15 2.304 23.590 -10.740 138 HE2 HIS 15 HE2 HIS 15 3.534 24.401 -12.772 139 H GLN 16 H GLN 16 4.347 18.755 -15.833 140 HA GLN 16 HA GLN 16 5.395 21.021 -17.115 141 HB2 GLN 16 HB2 GLN 16 6.731 19.036 -16.471 142 HB3 GLN 16 HB3 GLN 16 5.889 18.061 -17.667 143 HG2 GLN 16 HG2 GLN 16 6.836 19.517 -19.453 144 HG3 GLN 16 HG3 GLN 16 7.752 20.378 -18.216 145 HE21 GLN 16 HE21 GLN 16 7.223 16.862 -18.252 146 HE22 GLN 16 HE22 GLN 16 8.877 16.453 -18.547 147 H LEU 17 H LEU 17 3.244 18.451 -18.286 148 HA LEU 17 HA LEU 17 3.297 19.256 -21.055 149 HB2 LEU 17 HB2 LEU 17 1.335 17.489 -19.543 150 HB3 LEU 17 HB3 LEU 17 1.393 17.655 -21.293 151 HG LEU 17 HG LEU 17 3.695 16.573 -19.631 152 HD11 LEU 17 HD11 LEU 17 1.792 15.076 -19.408 153 HD12 LEU 17 HD12 LEU 17 3.062 14.338 -20.381 154 HD13 LEU 17 HD13 LEU 17 1.626 14.999 -21.165 155 HD21 LEU 17 HD21 LEU 17 3.252 16.520 -22.634 156 HD22 LEU 17 HD22 LEU 17 4.585 15.745 -21.777 157 HD23 LEU 17 HD23 LEU 17 4.441 17.500 -21.770 158 H THR 18 H THR 18 1.055 19.843 -18.341 159 HA THR 18 HA THR 18 -0.963 21.097 -19.998 160 HB THR 18 HB THR 18 -2.121 21.502 -17.769 161 HG1 THR 18 HG1 THR 18 -1.069 20.262 -15.987 162 HG21 THR 18 HG21 THR 18 -1.201 18.636 -18.237 163 HG22 THR 18 HG22 THR 18 -2.561 19.419 -19.046 164 HG23 THR 18 HG23 THR 18 -2.619 19.127 -17.307 165 H GLU 19 H GLU 19 1.044 22.214 -17.286 166 HA GLU 19 HA GLU 19 0.417 25.029 -17.826 167 HB2 GLU 19 HB2 GLU 19 1.812 23.700 -15.462 168 HB3 GLU 19 HB3 GLU 19 1.310 25.391 -15.544 169 HG2 GLU 19 HG2 GLU 19 -1.030 24.775 -15.567 170 HG3 GLU 19 HG3 GLU 19 -0.637 23.070 -15.756 171 H GLY 20 H GLY 20 3.216 22.877 -17.403 172 HA2 GLY 20 HA2 GLY 20 5.229 22.993 -18.607 173 HA3 GLY 20 HA3 GLY 20 4.927 24.683 -18.965 174 H CYS 21 H CYS 21 5.968 26.135 -17.801 175 HA CYS 21 HA CYS 21 6.796 25.754 -15.042 176 HB2 CYS 21 HB2 CYS 21 9.237 26.081 -15.549 177 HB3 CYS 21 HB3 CYS 21 8.607 24.568 -16.196 178 H GLY 22 H GLY 22 5.490 27.736 -17.219 179 HA2 GLY 22 HA2 GLY 22 5.059 30.005 -17.087 180 HA3 GLY 22 HA3 GLY 22 6.323 30.184 -15.886 181 H ASN 23 H ASN 23 8.329 28.856 -17.639 182 HA ASN 23 HA ASN 23 9.623 31.097 -18.578 183 HB2 ASN 23 HB2 ASN 23 10.063 28.202 -19.391 184 HB3 ASN 23 HB3 ASN 23 11.171 29.516 -19.770 185 HD21 ASN 23 HD21 ASN 23 12.833 28.553 -18.678 186 HD22 ASN 23 HD22 ASN 23 12.910 28.473 -16.965 187 H GLU 24 H GLU 24 8.994 32.407 -20.132 188 HA GLU 24 HA GLU 24 7.283 32.093 -22.249 189 HB2 GLU 24 HB2 GLU 24 8.098 34.267 -21.411 190 HB3 GLU 24 HB3 GLU 24 9.715 33.919 -22.003 191 HG2 GLU 24 HG2 GLU 24 8.619 35.508 -23.470 192 HG3 GLU 24 HG3 GLU 24 8.888 33.994 -24.330 193 H ALA 25 H ALA 25 10.849 31.940 -22.422 194 HA ALA 25 HA ALA 25 10.724 30.699 -25.114 195 HB1 ALA 25 HB1 ALA 25 11.921 32.858 -24.973 196 HB2 ALA 25 HB2 ALA 25 13.017 31.545 -25.403 197 HB3 ALA 25 HB3 ALA 25 13.010 32.184 -23.757 198 H CYS 26 H CYS 26 10.112 28.965 -23.103 199 HA CYS 26 HA CYS 26 12.354 27.560 -22.016 200 HB2 CYS 26 HB2 CYS 26 10.146 27.345 -20.978 201 HB3 CYS 26 HB3 CYS 26 9.503 26.583 -22.434 202 H THR 27 H THR 27 13.419 25.721 -22.748 203 HA THR 27 HA THR 27 12.993 24.896 -25.551 204 HB THR 27 HB THR 27 15.051 26.136 -25.429 205 HG1 THR 27 HG1 THR 27 16.341 24.655 -26.360 206 HG21 THR 27 HG21 THR 27 15.964 24.323 -23.160 207 HG22 THR 27 HG22 THR 27 15.516 26.023 -23.009 208 HG23 THR 27 HG23 THR 27 16.939 25.570 -23.946 209 H ASN 28 H ASN 28 11.464 23.364 -24.603 210 HA ASN 28 HA ASN 28 12.675 20.768 -24.629 211 HB2 ASN 28 HB2 ASN 28 12.803 21.165 -22.184 212 HB3 ASN 28 HB3 ASN 28 11.079 21.519 -22.133 213 HD21 ASN 28 HD21 ASN 28 10.752 19.818 -20.627 214 HD22 ASN 28 HD22 ASN 28 10.797 18.159 -21.092 215 H GLU 29 H GLU 29 11.440 19.603 -25.924 216 HA GLU 29 HA GLU 29 8.991 20.558 -27.013 217 HB2 GLU 29 HB2 GLU 29 9.066 18.511 -28.384 218 HB3 GLU 29 HB3 GLU 29 10.638 19.307 -28.341 219 HG2 GLU 29 HG2 GLU 29 11.439 17.672 -26.680 220 HG3 GLU 29 HG3 GLU 29 9.866 16.878 -26.677 221 H PHE 30 H PHE 30 9.653 18.610 -24.285 222 HA PHE 30 HA PHE 30 6.958 17.418 -24.147 223 HB2 PHE 30 HB2 PHE 30 9.429 16.998 -22.403 224 HB3 PHE 30 HB3 PHE 30 7.911 16.120 -22.234 225 HD1 PHE 30 HD1 PHE 30 7.116 15.275 -24.840 226 HD2 PHE 30 HD2 PHE 30 11.093 15.597 -23.282 227 HE1 PHE 30 HE1 PHE 30 7.889 13.571 -26.438 228 HE2 PHE 30 HE2 PHE 30 11.847 13.888 -24.881 229 HZ PHE 30 HZ PHE 30 10.251 12.877 -26.463 230 H CYS 31 H CYS 31 7.828 20.376 -23.603 231 HA CYS 31 HA CYS 31 6.533 20.671 -20.939 232 HB2 CYS 31 HB2 CYS 31 9.026 21.034 -20.826 233 HB3 CYS 31 HB3 CYS 31 8.859 22.343 -21.975 234 H ALA 32 H ALA 32 4.948 22.202 -20.881 235 HA ALA 32 HA ALA 32 4.058 23.555 -23.241 236 HB1 ALA 32 HB1 ALA 32 2.277 24.443 -21.776 237 HB2 ALA 32 HB2 ALA 32 3.107 23.786 -20.363 238 HB3 ALA 32 HB3 ALA 32 2.449 22.697 -21.582 239 H SER 33 H SER 33 3.635 25.921 -23.187 240 HA SER 33 HA SER 33 4.458 27.992 -23.422 241 HB2 SER 33 HB2 SER 33 4.406 28.010 -20.894 242 HB3 SER 33 HB3 SER 33 6.095 27.514 -20.895 243 HG SER 33 HG SER 33 6.433 29.482 -22.203 244 H CYS 34 H CYS 34 6.101 25.341 -24.107 245 HA CYS 34 HA CYS 34 8.487 26.698 -25.173 246 HB2 CYS 34 HB2 CYS 34 7.703 23.746 -25.304 247 HB3 CYS 34 HB3 CYS 34 9.249 24.440 -25.801 248 HG CYS 34 HG CYS 34 10.020 23.383 -23.522 249 HA PRO 35 HA PRO 35 6.397 27.150 -29.197 250 HB2 PRO 35 HB2 PRO 35 8.647 27.329 -30.810 251 HB3 PRO 35 HB3 PRO 35 8.046 28.667 -29.821 252 HG2 PRO 35 HG2 PRO 35 10.242 26.691 -29.194 253 HG3 PRO 35 HG3 PRO 35 10.241 28.459 -28.998 254 HD2 PRO 35 HD2 PRO 35 9.815 26.830 -26.901 255 HD3 PRO 35 HD3 PRO 35 8.937 28.367 -27.053 256 H THR 36 H THR 36 8.819 24.679 -28.564 257 HA THR 36 HA THR 36 8.261 23.084 -30.932 258 HB THR 36 HB THR 36 9.977 21.526 -29.904 259 HG1 THR 36 HG1 THR 36 10.911 22.090 -27.987 260 HG21 THR 36 HG21 THR 36 10.699 23.326 -31.469 261 HG22 THR 36 HG22 THR 36 11.911 23.027 -30.224 262 HG23 THR 36 HG23 THR 36 10.861 24.441 -30.108 263 H PHE 37 H PHE 37 6.631 23.420 -28.062 264 HA PHE 37 HA PHE 37 6.096 20.648 -27.448 265 HB2 PHE 37 HB2 PHE 37 6.058 22.360 -25.662 266 HB3 PHE 37 HB3 PHE 37 4.713 23.177 -26.452 267 HD1 PHE 37 HD1 PHE 37 5.620 19.766 -25.130 268 HD2 PHE 37 HD2 PHE 37 2.542 22.686 -25.649 269 HE1 PHE 37 HE1 PHE 37 4.056 18.348 -23.877 270 HE2 PHE 37 HE2 PHE 37 0.985 21.259 -24.396 271 HZ PHE 37 HZ PHE 37 1.735 19.087 -23.508 272 H LEU 38 H LEU 38 4.685 19.404 -28.501 273 HA LEU 38 HA LEU 38 2.512 20.472 -30.127 274 HB2 LEU 38 HB2 LEU 38 3.803 18.485 -30.877 275 HB3 LEU 38 HB3 LEU 38 3.322 17.613 -29.433 276 HG LEU 38 HG LEU 38 0.926 17.735 -30.214 277 HD11 LEU 38 HD11 LEU 38 0.437 18.327 -32.545 278 HD12 LEU 38 HD12 LEU 38 2.110 18.837 -32.781 279 HD13 LEU 38 HD13 LEU 38 1.069 19.708 -31.654 280 HD21 LEU 38 HD21 LEU 38 1.142 15.995 -31.958 281 HD22 LEU 38 HD22 LEU 38 2.234 15.701 -30.607 282 HD23 LEU 38 HD23 LEU 38 2.862 16.362 -32.119 283 H ARG 39 H ARG 39 0.605 21.018 -29.168 284 HA ARG 39 HA ARG 39 -0.043 20.401 -26.465 285 HB2 ARG 39 HB2 ARG 39 -1.536 21.780 -28.710 286 HB3 ARG 39 HB3 ARG 39 -2.414 21.329 -27.255 287 HG2 ARG 39 HG2 ARG 39 -1.686 23.667 -27.166 288 HG3 ARG 39 HG3 ARG 39 -0.946 22.721 -25.879 289 HD2 ARG 39 HD2 ARG 39 1.148 22.594 -27.202 290 HD3 ARG 39 HD3 ARG 39 0.394 23.579 -28.463 291 HE ARG 39 HE ARG 39 0.152 25.036 -26.124 292 HH11 ARG 39 HH11 ARG 39 2.860 23.808 -28.032 293 HH12 ARG 39 HH12 ARG 39 3.926 25.087 -27.549 294 HH21 ARG 39 HH21 ARG 39 1.598 26.698 -25.514 295 HH22 ARG 39 HH22 ARG 39 3.215 26.708 -26.135 296 H MET 40 H MET 40 -2.082 19.348 -25.785 297 HA MET 40 HA MET 40 -2.528 16.792 -27.190 298 HB2 MET 40 HB2 MET 40 -1.939 15.618 -24.969 299 HB3 MET 40 HB3 MET 40 -0.592 16.263 -25.898 300 HG2 MET 40 HG2 MET 40 -0.314 16.687 -23.498 301 HG3 MET 40 HG3 MET 40 -0.433 18.196 -24.410 302 HE1 MET 40 HE1 MET 40 -1.043 19.770 -22.463 303 HE2 MET 40 HE2 MET 40 -0.751 18.442 -21.337 304 HE3 MET 40 HE3 MET 40 -2.225 19.396 -21.208 305 H ASP 41 H ASP 41 -4.122 15.445 -26.074 306 HA ASP 41 HA ASP 41 -6.313 16.884 -24.776 307 HB2 ASP 41 HB2 ASP 41 -6.849 15.217 -26.510 308 HB3 ASP 41 HB3 ASP 41 -5.946 13.970 -25.656 309 H ASN 42 H ASN 42 -7.265 15.801 -22.694 310 HA ASN 42 HA ASN 42 -5.308 15.811 -20.637 311 HB2 ASN 42 HB2 ASN 42 -7.123 15.350 -19.074 312 HB3 ASN 42 HB3 ASN 42 -7.670 16.517 -20.267 313 HD21 ASN 42 HD21 ASN 42 -9.195 14.712 -18.523 314 HD22 ASN 42 HD22 ASN 42 -10.212 13.787 -19.567 315 H ASN 43 H ASN 43 -6.953 13.177 -22.333 316 HA ASN 43 HA ASN 43 -5.925 11.032 -20.729 317 HB2 ASN 43 HB2 ASN 43 -6.952 10.985 -23.606 318 HB3 ASN 43 HB3 ASN 43 -6.621 9.557 -22.625 319 HD21 ASN 43 HD21 ASN 43 -9.124 10.284 -23.839 320 HD22 ASN 43 HD22 ASN 43 -10.274 10.473 -22.564 321 H ALA 44 H ALA 44 -4.918 12.617 -23.731 322 HA ALA 44 HA ALA 44 -2.684 11.007 -24.370 323 HB1 ALA 44 HB1 ALA 44 -3.163 13.931 -25.034 324 HB2 ALA 44 HB2 ALA 44 -3.712 12.548 -25.983 325 HB3 ALA 44 HB3 ALA 44 -1.986 12.871 -25.814 326 H ALA 45 H ALA 45 -3.054 13.817 -22.270 327 HA ALA 45 HA ALA 45 -0.280 14.257 -21.704 328 HB1 ALA 45 HB1 ALA 45 -1.097 15.795 -19.966 329 HB2 ALA 45 HB2 ALA 45 -2.743 15.192 -20.192 330 HB3 ALA 45 HB3 ALA 45 -1.935 16.058 -21.498 331 H ALA 46 H ALA 46 -2.900 12.428 -20.184 332 HA ALA 46 HA ALA 46 -1.612 11.705 -17.773 333 HB1 ALA 46 HB1 ALA 46 -3.331 9.946 -17.620 334 HB2 ALA 46 HB2 ALA 46 -3.768 10.218 -19.310 335 HB3 ALA 46 HB3 ALA 46 -4.033 11.488 -18.115 336 H ILE 47 H ILE 47 -1.933 9.966 -20.865 337 HA ILE 47 HA ILE 47 -0.332 7.716 -20.313 338 HB ILE 47 HB ILE 47 -0.838 9.086 -23.004 339 HG12 ILE 47 HG12 ILE 47 -2.944 8.358 -21.926 340 HG13 ILE 47 HG13 ILE 47 -2.612 7.382 -23.350 341 HG21 ILE 47 HG21 ILE 47 1.122 7.638 -23.190 342 HG22 ILE 47 HG22 ILE 47 -0.226 6.912 -24.061 343 HG23 ILE 47 HG23 ILE 47 0.239 6.285 -22.478 344 HD11 ILE 47 HD11 ILE 47 -2.169 6.541 -20.485 345 HD12 ILE 47 HD12 ILE 47 -1.823 5.559 -21.908 346 HD13 ILE 47 HD13 ILE 47 -3.483 6.025 -21.542 347 H LYS 48 H LYS 48 0.433 10.842 -21.855 348 HA LYS 48 HA LYS 48 3.069 10.285 -22.646 349 HB2 LYS 48 HB2 LYS 48 1.454 12.261 -23.326 350 HB3 LYS 48 HB3 LYS 48 2.161 13.100 -21.959 351 HG2 LYS 48 HG2 LYS 48 3.399 13.834 -23.824 352 HG3 LYS 48 HG3 LYS 48 4.447 12.640 -23.046 353 HD2 LYS 48 HD2 LYS 48 3.650 10.921 -24.674 354 HD3 LYS 48 HD3 LYS 48 2.654 12.151 -25.458 355 HE2 LYS 48 HE2 LYS 48 4.640 11.889 -26.769 356 HE3 LYS 48 HE3 LYS 48 4.774 13.436 -25.934 357 HZ1 LYS 48 HZ1 LYS 48 6.054 10.900 -25.067 358 HZ2 LYS 48 HZ2 LYS 48 6.245 12.412 -24.332 359 HZ3 LYS 48 HZ3 LYS 48 6.831 12.151 -25.897 360 H ALA 49 H ALA 49 1.761 11.769 -19.690 361 HA ALA 49 HA ALA 49 4.175 12.545 -18.450 362 HB1 ALA 49 HB1 ALA 49 1.968 13.339 -17.696 363 HB2 ALA 49 HB2 ALA 49 2.877 12.626 -16.366 364 HB3 ALA 49 HB3 ALA 49 1.568 11.714 -17.123 365 H LEU 50 H LEU 50 2.296 9.517 -18.251 366 HA LEU 50 HA LEU 50 4.053 8.157 -16.469 367 HB2 LEU 50 HB2 LEU 50 1.767 7.342 -18.232 368 HB3 LEU 50 HB3 LEU 50 2.866 6.065 -17.760 369 HG LEU 50 HG LEU 50 0.956 6.098 -16.256 370 HD11 LEU 50 HD11 LEU 50 3.435 7.099 -14.813 371 HD12 LEU 50 HD12 LEU 50 3.124 5.433 -15.309 372 HD13 LEU 50 HD13 LEU 50 2.097 6.193 -14.097 373 HD21 LEU 50 HD21 LEU 50 0.439 7.989 -14.787 374 HD22 LEU 50 HD22 LEU 50 0.288 8.448 -16.479 375 HD23 LEU 50 HD23 LEU 50 1.703 8.957 -15.553 376 H GLU 51 H GLU 51 4.013 8.443 -20.012 377 HA GLU 51 HA GLU 51 5.964 6.434 -20.535 378 HB2 GLU 51 HB2 GLU 51 5.184 8.827 -22.247 379 HB3 GLU 51 HB3 GLU 51 6.171 7.474 -22.795 380 HG2 GLU 51 HG2 GLU 51 3.237 7.470 -22.069 381 HG3 GLU 51 HG3 GLU 51 3.964 7.109 -23.631 382 H LEU 52 H LEU 52 6.155 9.942 -20.153 383 HA LEU 52 HA LEU 52 8.956 10.224 -20.499 384 HB2 LEU 52 HB2 LEU 52 7.020 12.007 -18.962 385 HB3 LEU 52 HB3 LEU 52 8.645 12.455 -19.453 386 HG LEU 52 HG LEU 52 6.330 11.895 -21.343 387 HD11 LEU 52 HD11 LEU 52 6.349 14.302 -21.810 388 HD12 LEU 52 HD12 LEU 52 7.612 14.537 -20.600 389 HD13 LEU 52 HD13 LEU 52 6.011 13.978 -20.110 390 HD21 LEU 52 HD21 LEU 52 9.126 12.867 -22.009 391 HD22 LEU 52 HD22 LEU 52 7.784 12.697 -23.142 392 HD23 LEU 52 HD23 LEU 52 8.468 11.269 -22.374 393 H TYR 53 H TYR 53 6.948 9.346 -17.790 394 HA TYR 53 HA TYR 53 8.865 9.733 -15.706 395 HB2 TYR 53 HB2 TYR 53 6.492 9.724 -15.177 396 HB3 TYR 53 HB3 TYR 53 6.290 8.111 -15.851 397 HD1 TYR 53 HD1 TYR 53 8.307 9.857 -13.172 398 HD2 TYR 53 HD2 TYR 53 6.178 6.326 -14.316 399 HE1 TYR 53 HE1 TYR 53 8.702 8.889 -10.948 400 HE2 TYR 53 HE2 TYR 53 6.581 5.373 -12.095 401 HH TYR 53 HH TYR 53 7.876 7.226 -9.486 402 H LYS 54 H LYS 54 7.793 6.862 -17.535 403 HA LYS 54 HA LYS 54 9.404 5.015 -16.060 404 HB2 LYS 54 HB2 LYS 54 8.648 3.325 -17.684 405 HB3 LYS 54 HB3 LYS 54 7.299 4.293 -17.099 406 HG2 LYS 54 HG2 LYS 54 7.422 5.640 -19.219 407 HG3 LYS 54 HG3 LYS 54 8.668 4.537 -19.800 408 HD2 LYS 54 HD2 LYS 54 6.485 3.938 -20.743 409 HD3 LYS 54 HD3 LYS 54 7.072 2.654 -19.682 410 HE2 LYS 54 HE2 LYS 54 5.587 3.468 -17.885 411 HE3 LYS 54 HE3 LYS 54 5.009 4.755 -18.948 412 HZ1 LYS 54 HZ1 LYS 54 4.109 3.102 -20.430 413 HZ2 LYS 54 HZ2 LYS 54 3.505 2.853 -18.868 414 HZ3 LYS 54 HZ3 LYS 54 4.721 1.847 -19.472 415 H ILE 55 H ILE 55 9.856 6.752 -19.127 416 HA ILE 55 HA ILE 55 12.379 5.403 -19.726 417 HB ILE 55 HB ILE 55 12.556 6.844 -21.680 418 HG12 ILE 55 HG12 ILE 55 10.162 8.398 -20.602 419 HG13 ILE 55 HG13 ILE 55 11.802 9.008 -20.766 420 HG21 ILE 55 HG21 ILE 55 11.070 4.886 -21.870 421 HG22 ILE 55 HG22 ILE 55 10.510 6.198 -22.905 422 HG23 ILE 55 HG23 ILE 55 9.687 5.871 -21.377 423 HD11 ILE 55 HD11 ILE 55 9.946 8.251 -23.022 424 HD12 ILE 55 HD12 ILE 55 11.610 8.817 -23.210 425 HD13 ILE 55 HD13 ILE 55 10.390 9.879 -22.509 426 H ASN 56 H ASN 56 11.327 8.051 -17.844 427 HA ASN 56 HA ASN 56 12.246 9.769 -16.731 428 HB2 ASN 56 HB2 ASN 56 14.876 8.256 -17.019 429 HB3 ASN 56 HB3 ASN 56 14.550 9.542 -15.866 430 HD21 ASN 56 HD21 ASN 56 13.956 6.184 -16.673 431 HD22 ASN 56 HD22 ASN 56 13.311 5.730 -15.136 432 H ALA 57 H ALA 57 11.661 10.867 -18.734 433 HA ALA 57 HA ALA 57 13.701 11.694 -20.613 434 HB1 ALA 57 HB1 ALA 57 11.857 12.906 -21.699 435 HB2 ALA 57 HB2 ALA 57 10.797 12.555 -20.329 436 HB3 ALA 57 HB3 ALA 57 11.388 11.243 -21.348 437 H LYS 58 H LYS 58 13.151 14.287 -21.144 438 HA LYS 58 HA LYS 58 14.637 15.732 -19.206 439 HB2 LYS 58 HB2 LYS 58 12.972 16.854 -21.513 440 HB3 LYS 58 HB3 LYS 58 14.306 17.665 -20.696 441 HG2 LYS 58 HG2 LYS 58 14.560 15.118 -22.311 442 HG3 LYS 58 HG3 LYS 58 14.913 16.728 -22.942 443 HD2 LYS 58 HD2 LYS 58 16.351 15.388 -20.614 444 HD3 LYS 58 HD3 LYS 58 16.953 15.451 -22.272 445 HE2 LYS 58 HE2 LYS 58 17.095 17.901 -22.156 446 HE3 LYS 58 HE3 LYS 58 16.406 17.884 -20.531 447 HZ1 LYS 58 HZ1 LYS 58 18.327 16.687 -19.738 448 HZ2 LYS 58 HZ2 LYS 58 18.829 18.106 -20.513 449 HZ3 LYS 58 HZ3 LYS 58 18.983 16.618 -21.295 450 H LEU 59 H LEU 59 13.630 15.763 -17.245 451 HA LEU 59 HA LEU 59 10.902 16.768 -16.928 452 HB2 LEU 59 HB2 LEU 59 11.689 14.935 -15.463 453 HB3 LEU 59 HB3 LEU 59 12.971 15.963 -14.838 454 HG LEU 59 HG LEU 59 11.299 17.464 -13.787 455 HD11 LEU 59 HD11 LEU 59 8.903 16.905 -13.750 456 HD12 LEU 59 HD12 LEU 59 9.185 15.575 -14.875 457 HD13 LEU 59 HD13 LEU 59 9.463 17.243 -15.384 458 HD21 LEU 59 HD21 LEU 59 10.451 15.936 -12.037 459 HD22 LEU 59 HD22 LEU 59 12.129 15.589 -12.439 460 HD23 LEU 59 HD23 LEU 59 10.845 14.544 -13.052 461 H CYS 60 H CYS 60 10.704 18.867 -17.245 462 HA CYS 60 HA CYS 60 12.786 20.809 -16.704 463 HB2 CYS 60 HB2 CYS 60 11.340 20.868 -18.756 464 HB3 CYS 60 HB3 CYS 60 9.957 21.245 -17.734 465 H ASP 61 H ASP 61 12.990 20.771 -14.511 466 HA ASP 61 HA ASP 61 10.794 20.819 -12.639 467 HB2 ASP 61 HB2 ASP 61 12.581 20.725 -10.930 468 HB3 ASP 61 HB3 ASP 61 12.879 19.540 -12.197 469 HA PRO 62 HA PRO 62 10.886 25.297 -11.724 470 HB2 PRO 62 HB2 PRO 62 10.183 25.335 -9.080 471 HB3 PRO 62 HB3 PRO 62 9.011 24.987 -10.359 472 HG2 PRO 62 HG2 PRO 62 10.498 23.061 -8.575 473 HG3 PRO 62 HG3 PRO 62 8.778 23.062 -9.030 474 HD2 PRO 62 HD2 PRO 62 10.616 21.451 -10.247 475 HD3 PRO 62 HD3 PRO 62 9.203 22.092 -11.112 476 H HIS 63 H HIS 63 12.897 26.111 -11.772 477 HA HIS 63 HA HIS 63 14.901 25.441 -9.675 478 HB2 HIS 63 HB2 HIS 63 16.629 25.902 -11.446 479 HB3 HIS 63 HB3 HIS 63 15.588 24.547 -11.853 480 HD1 HIS 63 HD1 HIS 63 13.848 24.916 -13.775 481 HD2 HIS 63 HD2 HIS 63 16.520 28.049 -13.235 482 HE1 HIS 63 HE1 HIS 63 13.587 26.386 -15.787 483 HE2 HIS 63 HE2 HIS 63 15.159 28.308 -15.403 484 HA PRO 64 HA PRO 64 14.915 29.745 -8.453 485 HB2 PRO 64 HB2 PRO 64 17.617 30.192 -7.929 486 HB3 PRO 64 HB3 PRO 64 16.507 29.349 -6.844 487 HG2 PRO 64 HG2 PRO 64 18.461 28.189 -8.835 488 HG3 PRO 64 HG3 PRO 64 18.133 27.687 -7.160 489 HD2 PRO 64 HD2 PRO 64 17.088 26.346 -9.237 490 HD3 PRO 64 HD3 PRO 64 16.145 26.587 -7.749 Start of MODEL 9 1 H MET 1 H MET 1 2.922 0.837 -6.762 2 HA MET 1 HA MET 1 4.850 2.058 -7.397 3 HB2 MET 1 HB2 MET 1 5.041 3.174 -9.558 4 HB3 MET 1 HB3 MET 1 4.750 1.461 -9.813 5 HG2 MET 1 HG2 MET 1 2.695 3.671 -10.098 6 HG3 MET 1 HG3 MET 1 3.500 2.812 -11.414 7 HE1 MET 1 HE1 MET 1 -0.211 1.473 -11.630 8 HE2 MET 1 HE2 MET 1 1.091 2.271 -12.510 9 HE3 MET 1 HE3 MET 1 0.278 3.109 -11.185 10 H LYS 2 H LYS 2 1.834 2.419 -6.449 11 HA LYS 2 HA LYS 2 1.532 5.311 -6.681 12 HB2 LYS 2 HB2 LYS 2 -0.480 3.817 -6.744 13 HB3 LYS 2 HB3 LYS 2 -0.168 3.352 -5.072 14 HG2 LYS 2 HG2 LYS 2 -0.447 5.741 -4.382 15 HG3 LYS 2 HG3 LYS 2 -0.815 6.159 -6.055 16 HD2 LYS 2 HD2 LYS 2 -2.901 5.970 -4.821 17 HD3 LYS 2 HD3 LYS 2 -2.796 4.632 -5.968 18 HE2 LYS 2 HE2 LYS 2 -2.099 3.114 -4.160 19 HE3 LYS 2 HE3 LYS 2 -2.134 4.446 -3.005 20 HZ1 LYS 2 HZ1 LYS 2 -4.126 3.132 -2.845 21 HZ2 LYS 2 HZ2 LYS 2 -4.453 3.339 -4.488 22 HZ3 LYS 2 HZ3 LYS 2 -4.520 4.666 -3.441 23 H ARG 3 H ARG 3 3.624 5.688 -5.669 24 HA ARG 3 HA ARG 3 3.457 5.913 -2.707 25 HB2 ARG 3 HB2 ARG 3 5.494 4.755 -3.499 26 HB3 ARG 3 HB3 ARG 3 5.847 6.073 -4.606 27 HG2 ARG 3 HG2 ARG 3 6.236 7.583 -2.679 28 HG3 ARG 3 HG3 ARG 3 5.908 6.247 -1.572 29 HD2 ARG 3 HD2 ARG 3 8.325 6.609 -1.846 30 HD3 ARG 3 HD3 ARG 3 7.854 5.022 -2.462 31 HE ARG 3 HE ARG 3 7.777 6.661 -4.663 32 HH11 ARG 3 HH11 ARG 3 10.273 5.820 -2.330 33 HH12 ARG 3 HH12 ARG 3 11.566 6.040 -3.463 34 HH21 ARG 3 HH21 ARG 3 9.502 6.940 -6.126 35 HH22 ARG 3 HH22 ARG 3 11.130 6.693 -5.585 36 H ALA 4 H ALA 4 3.968 8.055 -1.819 37 HA ALA 4 HA ALA 4 2.661 10.194 -3.037 38 HB1 ALA 4 HB1 ALA 4 3.618 11.609 -1.271 39 HB2 ALA 4 HB2 ALA 4 4.787 10.346 -0.872 40 HB3 ALA 4 HB3 ALA 4 3.064 10.068 -0.615 41 H ALA 5 H ALA 5 6.204 9.687 -2.744 42 HA ALA 5 HA ALA 5 7.015 11.940 -4.269 43 HB1 ALA 5 HB1 ALA 5 9.245 10.907 -4.270 44 HB2 ALA 5 HB2 ALA 5 8.553 9.385 -3.702 45 HB3 ALA 5 HB3 ALA 5 8.503 10.816 -2.671 46 H ALA 6 H ALA 6 6.183 8.645 -5.180 47 HA ALA 6 HA ALA 6 7.210 8.649 -7.841 48 HB1 ALA 6 HB1 ALA 6 6.630 6.563 -6.668 49 HB2 ALA 6 HB2 ALA 6 5.750 6.691 -8.193 50 HB3 ALA 6 HB3 ALA 6 4.925 7.020 -6.668 51 H LYS 7 H LYS 7 4.022 9.340 -6.473 52 HA LYS 7 HA LYS 7 2.725 10.034 -8.920 53 HB2 LYS 7 HB2 LYS 7 1.981 10.445 -5.997 54 HB3 LYS 7 HB3 LYS 7 0.933 10.956 -7.314 55 HG2 LYS 7 HG2 LYS 7 1.843 8.089 -6.870 56 HG3 LYS 7 HG3 LYS 7 0.301 8.754 -6.318 57 HD2 LYS 7 HD2 LYS 7 -0.350 9.243 -8.643 58 HD3 LYS 7 HD3 LYS 7 1.199 8.632 -9.228 59 HE2 LYS 7 HE2 LYS 7 0.646 6.386 -8.474 60 HE3 LYS 7 HE3 LYS 7 -0.841 6.966 -7.719 61 HZ1 LYS 7 HZ1 LYS 7 -1.324 5.947 -9.827 62 HZ2 LYS 7 HZ2 LYS 7 -0.238 6.967 -10.623 63 HZ3 LYS 7 HZ3 LYS 7 -1.637 7.607 -9.926 64 H HIS 8 H HIS 8 4.579 11.801 -6.550 65 HA HIS 8 HA HIS 8 3.899 14.430 -7.428 66 HB2 HIS 8 HB2 HIS 8 6.252 13.369 -5.827 67 HB3 HIS 8 HB3 HIS 8 6.098 15.073 -6.248 68 HD1 HIS 8 HD1 HIS 8 5.978 13.724 -3.301 69 HD2 HIS 8 HD2 HIS 8 2.811 15.232 -5.521 70 HE1 HIS 8 HE1 HIS 8 4.208 14.330 -1.636 71 HE2 HIS 8 HE2 HIS 8 2.244 15.072 -3.019 72 H LEU 9 H LEU 9 6.377 12.074 -8.321 73 HA LEU 9 HA LEU 9 7.816 13.765 -10.130 74 HB2 LEU 9 HB2 LEU 9 8.268 11.256 -8.949 75 HB3 LEU 9 HB3 LEU 9 8.012 10.843 -10.631 76 HG LEU 9 HG LEU 9 10.410 11.089 -10.100 77 HD11 LEU 9 HD11 LEU 9 11.075 12.580 -11.914 78 HD12 LEU 9 HD12 LEU 9 9.446 13.260 -11.972 79 HD13 LEU 9 HD13 LEU 9 9.714 11.563 -12.382 80 HD21 LEU 9 HD21 LEU 9 10.242 12.732 -8.293 81 HD22 LEU 9 HD22 LEU 9 9.789 13.985 -9.454 82 HD23 LEU 9 HD23 LEU 9 11.393 13.250 -9.522 83 H ILE 10 H ILE 10 5.179 11.433 -10.444 84 HA ILE 10 HA ILE 10 4.780 11.561 -13.246 85 HB ILE 10 HB ILE 10 2.842 10.994 -10.955 86 HG12 ILE 10 HG12 ILE 10 4.106 9.069 -12.975 87 HG13 ILE 10 HG13 ILE 10 4.746 9.369 -11.364 88 HG21 ILE 10 HG21 ILE 10 2.268 10.658 -13.933 89 HG22 ILE 10 HG22 ILE 10 1.490 11.807 -12.843 90 HG23 ILE 10 HG23 ILE 10 1.238 10.077 -12.620 91 HD11 ILE 10 HD11 ILE 10 2.693 8.469 -10.385 92 HD12 ILE 10 HD12 ILE 10 3.503 7.310 -11.439 93 HD13 ILE 10 HD13 ILE 10 2.065 8.157 -12.007 94 H GLU 11 H GLU 11 3.580 13.513 -10.540 95 HA GLU 11 HA GLU 11 1.901 15.283 -11.983 96 HB2 GLU 11 HB2 GLU 11 1.754 14.986 -9.506 97 HB3 GLU 11 HB3 GLU 11 3.333 15.732 -9.323 98 HG2 GLU 11 HG2 GLU 11 1.633 17.350 -8.745 99 HG3 GLU 11 HG3 GLU 11 2.424 17.859 -10.232 100 H ARG 12 H ARG 12 5.370 15.233 -11.334 101 HA ARG 12 HA ARG 12 5.990 17.877 -12.125 102 HB2 ARG 12 HB2 ARG 12 7.730 15.384 -12.311 103 HB3 ARG 12 HB3 ARG 12 8.304 17.020 -12.548 104 HG2 ARG 12 HG2 ARG 12 7.287 15.838 -9.959 105 HG3 ARG 12 HG3 ARG 12 8.959 16.205 -10.368 106 HD2 ARG 12 HD2 ARG 12 8.273 17.970 -8.961 107 HD3 ARG 12 HD3 ARG 12 8.208 18.646 -10.588 108 HE ARG 12 HE ARG 12 5.732 17.570 -9.417 109 HH11 ARG 12 HH11 ARG 12 7.533 20.400 -10.472 110 HH12 ARG 12 HH12 ARG 12 6.195 21.481 -10.246 111 HH21 ARG 12 HH21 ARG 12 3.983 18.978 -9.148 112 HH22 ARG 12 HH22 ARG 12 4.165 20.671 -9.483 113 H TYR 13 H TYR 13 5.921 14.799 -13.955 114 HA TYR 13 HA TYR 13 6.554 16.006 -16.491 115 HB2 TYR 13 HB2 TYR 13 5.600 13.230 -15.707 116 HB3 TYR 13 HB3 TYR 13 5.864 13.683 -17.392 117 HD1 TYR 13 HD1 TYR 13 8.291 14.813 -17.845 118 HD2 TYR 13 HD2 TYR 13 7.390 12.155 -14.618 119 HE1 TYR 13 HE1 TYR 13 10.666 14.219 -17.664 120 HE2 TYR 13 HE2 TYR 13 9.760 11.566 -14.449 121 HH TYR 13 HH TYR 13 11.767 11.583 -15.846 122 H TYR 14 H TYR 14 3.531 15.230 -14.849 123 HA TYR 14 HA TYR 14 1.847 15.403 -17.173 124 HB2 TYR 14 HB2 TYR 14 1.130 14.071 -15.199 125 HB3 TYR 14 HB3 TYR 14 1.082 15.534 -14.217 126 HD1 TYR 14 HD1 TYR 14 -0.454 13.978 -17.273 127 HD2 TYR 14 HD2 TYR 14 -0.937 16.834 -14.128 128 HE1 TYR 14 HE1 TYR 14 -2.762 14.395 -17.996 129 HE2 TYR 14 HE2 TYR 14 -3.240 17.251 -14.862 130 HH TYR 14 HH TYR 14 -4.839 15.248 -17.132 131 H HIS 15 H HIS 15 2.492 17.517 -14.396 132 HA HIS 15 HA HIS 15 1.019 19.754 -15.337 133 HB2 HIS 15 HB2 HIS 15 1.699 19.326 -12.925 134 HB3 HIS 15 HB3 HIS 15 3.336 19.801 -13.358 135 HD1 HIS 15 HD1 HIS 15 3.491 21.938 -12.016 136 HD2 HIS 15 HD2 HIS 15 0.091 21.822 -14.398 137 HE1 HIS 15 HE1 HIS 15 2.418 24.189 -11.787 138 HE2 HIS 15 HE2 HIS 15 0.257 23.995 -13.034 139 H GLN 16 H GLN 16 4.244 18.554 -15.935 140 HA GLN 16 HA GLN 16 5.363 20.804 -17.250 141 HB2 GLN 16 HB2 GLN 16 6.722 18.862 -16.542 142 HB3 GLN 16 HB3 GLN 16 5.863 17.825 -17.670 143 HG2 GLN 16 HG2 GLN 16 6.814 19.171 -19.551 144 HG3 GLN 16 HG3 GLN 16 7.756 20.087 -18.378 145 HE21 GLN 16 HE21 GLN 16 7.370 16.972 -19.937 146 HE22 GLN 16 HE22 GLN 16 8.902 16.323 -19.467 147 H LEU 17 H LEU 17 3.205 18.188 -18.363 148 HA LEU 17 HA LEU 17 3.298 19.032 -21.151 149 HB2 LEU 17 HB2 LEU 17 1.540 17.012 -19.721 150 HB3 LEU 17 HB3 LEU 17 1.537 17.273 -21.462 151 HG LEU 17 HG LEU 17 3.966 16.345 -19.891 152 HD11 LEU 17 HD11 LEU 17 3.564 14.121 -20.816 153 HD12 LEU 17 HD12 LEU 17 2.054 14.688 -21.533 154 HD13 LEU 17 HD13 LEU 17 2.239 14.646 -19.777 155 HD21 LEU 17 HD21 LEU 17 4.932 15.791 -22.082 156 HD22 LEU 17 HD22 LEU 17 4.574 17.512 -21.968 157 HD23 LEU 17 HD23 LEU 17 3.508 16.451 -22.891 158 H THR 18 H THR 18 1.268 19.775 -18.385 159 HA THR 18 HA THR 18 -0.964 20.719 -20.014 160 HB THR 18 HB THR 18 -2.013 21.347 -17.821 161 HG1 THR 18 HG1 THR 18 -0.786 20.371 -15.949 162 HG21 THR 18 HG21 THR 18 -2.388 19.091 -18.752 163 HG22 THR 18 HG22 THR 18 -2.335 19.044 -16.990 164 HG23 THR 18 HG23 THR 18 -0.943 18.500 -17.926 165 H GLU 19 H GLU 19 1.318 22.264 -17.685 166 HA GLU 19 HA GLU 19 0.811 24.882 -18.993 167 HB2 GLU 19 HB2 GLU 19 1.377 24.395 -16.043 168 HB3 GLU 19 HB3 GLU 19 1.163 25.974 -16.801 169 HG2 GLU 19 HG2 GLU 19 -1.170 25.248 -17.466 170 HG3 GLU 19 HG3 GLU 19 -0.930 23.795 -16.501 171 H GLY 20 H GLY 20 3.216 22.715 -17.679 172 HA2 GLY 20 HA2 GLY 20 5.349 22.440 -18.581 173 HA3 GLY 20 HA3 GLY 20 5.276 24.054 -19.258 174 H CYS 21 H CYS 21 6.475 25.514 -18.312 175 HA CYS 21 HA CYS 21 6.795 25.588 -15.381 176 HB2 CYS 21 HB2 CYS 21 9.187 26.324 -15.692 177 HB3 CYS 21 HB3 CYS 21 8.909 24.659 -16.200 178 H GLY 22 H GLY 22 5.366 26.977 -17.857 179 HA2 GLY 22 HA2 GLY 22 4.291 29.021 -17.920 180 HA3 GLY 22 HA3 GLY 22 5.348 29.618 -16.652 181 H ASN 23 H ASN 23 7.820 29.491 -17.597 182 HA ASN 23 HA ASN 23 8.054 31.704 -19.297 183 HB2 ASN 23 HB2 ASN 23 10.529 31.150 -19.354 184 HB3 ASN 23 HB3 ASN 23 9.837 31.293 -17.741 185 HD21 ASN 23 HD21 ASN 23 11.385 29.184 -19.999 186 HD22 ASN 23 HD22 ASN 23 11.552 27.833 -18.936 187 H GLU 24 H GLU 24 8.145 31.947 -21.419 188 HA GLU 24 HA GLU 24 7.744 29.707 -23.210 189 HB2 GLU 24 HB2 GLU 24 7.456 31.422 -24.950 190 HB3 GLU 24 HB3 GLU 24 6.482 31.786 -23.529 191 HG2 GLU 24 HG2 GLU 24 8.282 33.408 -22.805 192 HG3 GLU 24 HG3 GLU 24 9.074 33.124 -24.354 193 H ALA 25 H ALA 25 10.408 31.642 -22.156 194 HA ALA 25 HA ALA 25 12.294 30.724 -24.167 195 HB1 ALA 25 HB1 ALA 25 12.792 32.091 -21.492 196 HB2 ALA 25 HB2 ALA 25 12.650 32.900 -23.052 197 HB3 ALA 25 HB3 ALA 25 14.002 31.807 -22.746 198 H CYS 26 H CYS 26 11.532 28.528 -23.886 199 HA CYS 26 HA CYS 26 13.145 26.960 -22.005 200 HB2 CYS 26 HB2 CYS 26 10.990 27.121 -20.857 201 HB3 CYS 26 HB3 CYS 26 10.119 26.680 -22.322 202 H THR 27 H THR 27 14.272 25.603 -23.237 203 HA THR 27 HA THR 27 13.685 25.108 -26.007 204 HB THR 27 HB THR 27 15.992 25.454 -25.360 205 HG1 THR 27 HG1 THR 27 16.822 23.223 -26.059 206 HG21 THR 27 HG21 THR 27 15.799 22.955 -23.622 207 HG22 THR 27 HG22 THR 27 15.919 24.610 -23.023 208 HG23 THR 27 HG23 THR 27 17.260 23.898 -23.922 209 H ASN 28 H ASN 28 12.945 23.405 -23.089 210 HA ASN 28 HA ASN 28 12.912 20.720 -24.050 211 HB2 ASN 28 HB2 ASN 28 12.975 21.434 -21.616 212 HB3 ASN 28 HB3 ASN 28 11.283 21.890 -21.745 213 HD21 ASN 28 HD21 ASN 28 12.574 19.906 -20.009 214 HD22 ASN 28 HD22 ASN 28 11.772 18.404 -20.316 215 H GLU 29 H GLU 29 11.648 20.079 -25.673 216 HA GLU 29 HA GLU 29 9.227 21.388 -26.526 217 HB2 GLU 29 HB2 GLU 29 9.169 19.734 -28.363 218 HB3 GLU 29 HB3 GLU 29 10.725 20.537 -28.244 219 HG2 GLU 29 HG2 GLU 29 10.250 17.782 -27.066 220 HG3 GLU 29 HG3 GLU 29 10.714 18.019 -28.750 221 H PHE 30 H PHE 30 9.866 18.824 -24.359 222 HA PHE 30 HA PHE 30 7.160 17.677 -24.468 223 HB2 PHE 30 HB2 PHE 30 9.508 17.085 -22.594 224 HB3 PHE 30 HB3 PHE 30 8.003 16.168 -22.662 225 HD1 PHE 30 HD1 PHE 30 7.457 14.827 -24.721 226 HD2 PHE 30 HD2 PHE 30 11.287 16.666 -24.180 227 HE1 PHE 30 HE1 PHE 30 8.406 13.403 -26.484 228 HE2 PHE 30 HE2 PHE 30 12.222 15.224 -25.944 229 HZ PHE 30 HZ PHE 30 10.779 13.595 -27.100 230 H CYS 31 H CYS 31 7.793 20.543 -23.676 231 HA CYS 31 HA CYS 31 6.556 20.650 -20.992 232 HB2 CYS 31 HB2 CYS 31 9.054 21.058 -20.950 233 HB3 CYS 31 HB3 CYS 31 8.821 22.416 -22.025 234 H ALA 32 H ALA 32 4.686 21.759 -21.169 235 HA ALA 32 HA ALA 32 3.830 23.225 -23.412 236 HB1 ALA 32 HB1 ALA 32 2.673 23.173 -20.611 237 HB2 ALA 32 HB2 ALA 32 2.268 22.058 -21.916 238 HB3 ALA 32 HB3 ALA 32 1.854 23.768 -22.054 239 H SER 33 H SER 33 3.084 25.468 -23.353 240 HA SER 33 HA SER 33 3.537 27.655 -23.440 241 HB2 SER 33 HB2 SER 33 5.059 27.285 -20.824 242 HB3 SER 33 HB3 SER 33 4.615 28.837 -21.536 243 HG SER 33 HG SER 33 2.872 26.807 -20.591 244 H CYS 34 H CYS 34 5.836 25.316 -23.916 245 HA CYS 34 HA CYS 34 7.968 27.109 -24.784 246 HB2 CYS 34 HB2 CYS 34 7.619 24.105 -25.195 247 HB3 CYS 34 HB3 CYS 34 9.077 25.032 -25.559 248 HG CYS 34 HG CYS 34 9.981 24.103 -23.336 249 HA PRO 35 HA PRO 35 6.013 27.792 -28.754 250 HB2 PRO 35 HB2 PRO 35 8.103 28.716 -30.244 251 HB3 PRO 35 HB3 PRO 35 7.436 29.637 -28.885 252 HG2 PRO 35 HG2 PRO 35 9.875 27.860 -28.951 253 HG3 PRO 35 HG3 PRO 35 9.694 29.488 -28.259 254 HD2 PRO 35 HD2 PRO 35 9.570 27.218 -26.737 255 HD3 PRO 35 HD3 PRO 35 8.664 28.692 -26.331 256 H THR 36 H THR 36 8.244 25.271 -28.330 257 HA THR 36 HA THR 36 7.901 24.151 -31.035 258 HB THR 36 HB THR 36 9.549 22.394 -30.156 259 HG1 THR 36 HG1 THR 36 10.551 22.799 -28.216 260 HG21 THR 36 HG21 THR 36 11.515 23.869 -30.334 261 HG22 THR 36 HG22 THR 36 10.493 25.289 -30.105 262 HG23 THR 36 HG23 THR 36 10.312 24.295 -31.553 263 H PHE 37 H PHE 37 6.529 23.932 -27.917 264 HA PHE 37 HA PHE 37 5.753 21.159 -27.922 265 HB2 PHE 37 HB2 PHE 37 6.075 22.425 -25.814 266 HB3 PHE 37 HB3 PHE 37 4.766 23.514 -26.244 267 HD1 PHE 37 HD1 PHE 37 5.578 20.034 -25.211 268 HD2 PHE 37 HD2 PHE 37 2.439 22.881 -25.828 269 HE1 PHE 37 HE1 PHE 37 4.002 18.561 -24.032 270 HE2 PHE 37 HE2 PHE 37 0.875 21.398 -24.646 271 HZ PHE 37 HZ PHE 37 1.652 19.241 -23.747 272 H LEU 38 H LEU 38 3.848 20.253 -28.619 273 HA LEU 38 HA LEU 38 1.703 22.000 -29.699 274 HB2 LEU 38 HB2 LEU 38 2.410 19.120 -30.373 275 HB3 LEU 38 HB3 LEU 38 0.958 19.927 -30.939 276 HG LEU 38 HG LEU 38 3.815 20.679 -31.665 277 HD11 LEU 38 HD11 LEU 38 1.607 19.474 -33.371 278 HD12 LEU 38 HD12 LEU 38 3.056 18.641 -32.809 279 HD13 LEU 38 HD13 LEU 38 3.200 19.974 -33.950 280 HD21 LEU 38 HD21 LEU 38 2.821 22.351 -33.203 281 HD22 LEU 38 HD22 LEU 38 2.458 22.721 -31.520 282 HD23 LEU 38 HD23 LEU 38 1.218 22.000 -32.549 283 H ARG 39 H ARG 39 -0.384 21.645 -29.073 284 HA ARG 39 HA ARG 39 -0.802 20.912 -26.376 285 HB2 ARG 39 HB2 ARG 39 -2.868 21.422 -28.562 286 HB3 ARG 39 HB3 ARG 39 -3.197 21.401 -26.831 287 HG2 ARG 39 HG2 ARG 39 -1.377 23.376 -28.243 288 HG3 ARG 39 HG3 ARG 39 -3.037 23.696 -27.743 289 HD2 ARG 39 HD2 ARG 39 -2.388 23.372 -25.379 290 HD3 ARG 39 HD3 ARG 39 -0.726 23.030 -25.876 291 HE ARG 39 HE ARG 39 -1.183 25.460 -26.970 292 HH11 ARG 39 HH11 ARG 39 -1.590 24.285 -23.681 293 HH12 ARG 39 HH12 ARG 39 -1.244 25.823 -22.968 294 HH21 ARG 39 HH21 ARG 39 -0.738 27.460 -26.011 295 HH22 ARG 39 HH22 ARG 39 -0.753 27.617 -24.284 296 H MET 40 H MET 40 -2.139 19.279 -25.475 297 HA MET 40 HA MET 40 -2.828 16.945 -27.120 298 HB2 MET 40 HB2 MET 40 -1.725 15.396 -25.470 299 HB3 MET 40 HB3 MET 40 -0.587 16.384 -26.369 300 HG2 MET 40 HG2 MET 40 -0.419 17.910 -24.391 301 HG3 MET 40 HG3 MET 40 -1.456 16.793 -23.502 302 HE1 MET 40 HE1 MET 40 2.792 15.744 -25.009 303 HE2 MET 40 HE2 MET 40 2.028 17.313 -25.243 304 HE3 MET 40 HE3 MET 40 1.427 15.900 -26.115 305 H ASP 41 H ASP 41 -4.265 15.501 -26.074 306 HA ASP 41 HA ASP 41 -6.381 16.760 -24.636 307 HB2 ASP 41 HB2 ASP 41 -6.662 14.936 -26.329 308 HB3 ASP 41 HB3 ASP 41 -5.855 13.808 -25.247 309 H ASN 42 H ASN 42 -7.246 15.966 -22.544 310 HA ASN 42 HA ASN 42 -5.590 15.965 -20.326 311 HB2 ASN 42 HB2 ASN 42 -7.985 16.347 -20.136 312 HB3 ASN 42 HB3 ASN 42 -8.350 14.741 -20.750 313 HD21 ASN 42 HD21 ASN 42 -9.607 14.198 -18.992 314 HD22 ASN 42 HD22 ASN 42 -8.958 13.905 -17.416 315 H ASN 43 H ASN 43 -6.974 13.156 -21.978 316 HA ASN 43 HA ASN 43 -5.751 11.167 -20.332 317 HB2 ASN 43 HB2 ASN 43 -7.121 10.919 -23.050 318 HB3 ASN 43 HB3 ASN 43 -6.663 9.561 -22.024 319 HD21 ASN 43 HD21 ASN 43 -8.922 12.180 -22.451 320 HD22 ASN 43 HD22 ASN 43 -10.023 11.691 -21.224 321 H ALA 44 H ALA 44 -4.975 12.609 -23.488 322 HA ALA 44 HA ALA 44 -2.825 10.885 -24.199 323 HB1 ALA 44 HB1 ALA 44 -3.317 13.757 -25.069 324 HB2 ALA 44 HB2 ALA 44 -3.966 12.315 -25.854 325 HB3 ALA 44 HB3 ALA 44 -2.226 12.611 -25.851 326 H ALA 45 H ALA 45 -3.023 13.786 -22.238 327 HA ALA 45 HA ALA 45 -0.204 14.236 -21.891 328 HB1 ALA 45 HB1 ALA 45 -1.846 16.061 -21.664 329 HB2 ALA 45 HB2 ALA 45 -0.897 15.870 -20.190 330 HB3 ALA 45 HB3 ALA 45 -2.556 15.264 -20.258 331 H ALA 46 H ALA 46 -2.756 12.528 -20.112 332 HA ALA 46 HA ALA 46 -1.275 11.869 -17.785 333 HB1 ALA 46 HB1 ALA 46 -3.039 10.203 -17.362 334 HB2 ALA 46 HB2 ALA 46 -3.633 10.399 -19.015 335 HB3 ALA 46 HB3 ALA 46 -3.734 11.744 -17.878 336 H ILE 47 H ILE 47 -1.773 10.166 -20.871 337 HA ILE 47 HA ILE 47 -0.302 7.820 -20.271 338 HB ILE 47 HB ILE 47 -0.975 9.121 -22.952 339 HG12 ILE 47 HG12 ILE 47 -2.954 8.281 -21.746 340 HG13 ILE 47 HG13 ILE 47 -2.649 7.261 -23.146 341 HG21 ILE 47 HG21 ILE 47 1.044 7.802 -23.321 342 HG22 ILE 47 HG22 ILE 47 -0.329 6.973 -24.055 343 HG23 ILE 47 HG23 ILE 47 0.326 6.401 -22.520 344 HD11 ILE 47 HD11 ILE 47 -3.299 5.928 -21.226 345 HD12 ILE 47 HD12 ILE 47 -1.968 6.588 -20.276 346 HD13 ILE 47 HD13 ILE 47 -1.633 5.565 -21.676 347 H LYS 48 H LYS 48 0.598 10.786 -22.058 348 HA LYS 48 HA LYS 48 3.262 10.043 -22.620 349 HB2 LYS 48 HB2 LYS 48 1.955 11.770 -23.879 350 HB3 LYS 48 HB3 LYS 48 2.079 12.847 -22.497 351 HG2 LYS 48 HG2 LYS 48 3.693 13.493 -24.199 352 HG3 LYS 48 HG3 LYS 48 4.536 12.920 -22.759 353 HD2 LYS 48 HD2 LYS 48 4.963 10.747 -23.848 354 HD3 LYS 48 HD3 LYS 48 4.054 11.267 -25.271 355 HE2 LYS 48 HE2 LYS 48 5.718 13.076 -25.647 356 HE3 LYS 48 HE3 LYS 48 6.636 12.507 -24.253 357 HZ1 LYS 48 HZ1 LYS 48 7.576 11.675 -26.303 358 HZ2 LYS 48 HZ2 LYS 48 6.099 10.970 -26.733 359 HZ3 LYS 48 HZ3 LYS 48 6.947 10.393 -25.398 360 H ALA 49 H ALA 49 1.811 11.622 -19.828 361 HA ALA 49 HA ALA 49 4.134 12.586 -18.527 362 HB1 ALA 49 HB1 ALA 49 2.779 12.575 -16.467 363 HB2 ALA 49 HB2 ALA 49 1.546 11.593 -17.269 364 HB3 ALA 49 HB3 ALA 49 1.864 13.238 -17.822 365 H LEU 50 H LEU 50 2.355 9.525 -18.238 366 HA LEU 50 HA LEU 50 4.176 8.259 -16.447 367 HB2 LEU 50 HB2 LEU 50 1.814 7.364 -18.086 368 HB3 LEU 50 HB3 LEU 50 2.897 6.119 -17.503 369 HG LEU 50 HG LEU 50 0.957 6.396 -16.011 370 HD11 LEU 50 HD11 LEU 50 3.552 7.257 -14.690 371 HD12 LEU 50 HD12 LEU 50 3.067 5.600 -15.057 372 HD13 LEU 50 HD13 LEU 50 2.154 6.539 -13.879 373 HD21 LEU 50 HD21 LEU 50 0.644 8.417 -14.654 374 HD22 LEU 50 HD22 LEU 50 0.490 8.773 -16.371 375 HD23 LEU 50 HD23 LEU 50 1.966 9.216 -15.512 376 H GLU 51 H GLU 51 4.065 8.502 -19.962 377 HA GLU 51 HA GLU 51 5.982 6.491 -20.570 378 HB2 GLU 51 HB2 GLU 51 5.193 9.008 -22.090 379 HB3 GLU 51 HB3 GLU 51 6.286 7.789 -22.740 380 HG2 GLU 51 HG2 GLU 51 3.369 7.375 -22.003 381 HG3 GLU 51 HG3 GLU 51 4.028 7.514 -23.633 382 H LEU 52 H LEU 52 6.265 10.001 -20.121 383 HA LEU 52 HA LEU 52 9.089 10.174 -20.348 384 HB2 LEU 52 HB2 LEU 52 7.137 12.058 -18.974 385 HB3 LEU 52 HB3 LEU 52 8.812 12.437 -19.343 386 HG LEU 52 HG LEU 52 6.615 11.939 -21.392 387 HD11 LEU 52 HD11 LEU 52 6.322 14.074 -20.247 388 HD12 LEU 52 HD12 LEU 52 6.819 14.332 -21.917 389 HD13 LEU 52 HD13 LEU 52 7.991 14.526 -20.611 390 HD21 LEU 52 HD21 LEU 52 8.237 12.628 -23.103 391 HD22 LEU 52 HD22 LEU 52 8.778 11.174 -22.267 392 HD23 LEU 52 HD23 LEU 52 9.505 12.734 -21.878 393 H TYR 53 H TYR 53 6.957 9.371 -17.726 394 HA TYR 53 HA TYR 53 8.794 9.716 -15.558 395 HB2 TYR 53 HB2 TYR 53 6.412 9.781 -15.117 396 HB3 TYR 53 HB3 TYR 53 6.177 8.182 -15.804 397 HD1 TYR 53 HD1 TYR 53 8.084 9.879 -13.016 398 HD2 TYR 53 HD2 TYR 53 5.996 6.367 -14.297 399 HE1 TYR 53 HE1 TYR 53 8.328 8.908 -10.772 400 HE2 TYR 53 HE2 TYR 53 6.237 5.412 -12.049 401 HH TYR 53 HH TYR 53 7.696 5.638 -10.100 402 H LYS 54 H LYS 54 7.710 6.857 -17.425 403 HA LYS 54 HA LYS 54 9.191 4.975 -15.872 404 HB2 LYS 54 HB2 LYS 54 8.506 3.291 -17.507 405 HB3 LYS 54 HB3 LYS 54 7.142 4.311 -17.078 406 HG2 LYS 54 HG2 LYS 54 7.481 5.573 -19.226 407 HG3 LYS 54 HG3 LYS 54 8.757 4.431 -19.649 408 HD2 LYS 54 HD2 LYS 54 6.659 3.834 -20.771 409 HD3 LYS 54 HD3 LYS 54 7.126 2.577 -19.624 410 HE2 LYS 54 HE2 LYS 54 5.466 3.369 -18.026 411 HE3 LYS 54 HE3 LYS 54 5.078 4.744 -19.061 412 HZ1 LYS 54 HZ1 LYS 54 4.233 3.254 -20.717 413 HZ2 LYS 54 HZ2 LYS 54 3.476 2.926 -19.241 414 HZ3 LYS 54 HZ3 LYS 54 4.687 1.904 -19.813 415 H ILE 55 H ILE 55 9.838 6.656 -18.934 416 HA ILE 55 HA ILE 55 12.336 5.258 -19.436 417 HB ILE 55 HB ILE 55 12.632 6.730 -21.358 418 HG12 ILE 55 HG12 ILE 55 10.251 8.348 -20.329 419 HG13 ILE 55 HG13 ILE 55 11.917 8.902 -20.393 420 HG21 ILE 55 HG21 ILE 55 10.582 6.198 -22.648 421 HG22 ILE 55 HG22 ILE 55 9.722 5.860 -21.144 422 HG23 ILE 55 HG23 ILE 55 11.074 4.838 -21.636 423 HD11 ILE 55 HD11 ILE 55 10.136 8.296 -22.752 424 HD12 ILE 55 HD12 ILE 55 11.831 8.781 -22.857 425 HD13 ILE 55 HD13 ILE 55 10.637 9.884 -22.173 426 H ASN 56 H ASN 56 11.345 7.898 -17.508 427 HA ASN 56 HA ASN 56 12.287 9.587 -16.366 428 HB2 ASN 56 HB2 ASN 56 14.776 7.839 -16.555 429 HB3 ASN 56 HB3 ASN 56 14.632 9.248 -15.505 430 HD21 ASN 56 HD21 ASN 56 13.479 5.976 -16.089 431 HD22 ASN 56 HD22 ASN 56 12.821 5.719 -14.510 432 H ALA 57 H ALA 57 11.816 10.722 -18.333 433 HA ALA 57 HA ALA 57 13.820 11.364 -20.273 434 HB1 ALA 57 HB1 ALA 57 12.067 12.799 -21.247 435 HB2 ALA 57 HB2 ALA 57 11.063 12.574 -19.810 436 HB3 ALA 57 HB3 ALA 57 11.424 11.202 -20.860 437 H LYS 58 H LYS 58 13.786 13.860 -20.866 438 HA LYS 58 HA LYS 58 15.207 15.351 -18.936 439 HB2 LYS 58 HB2 LYS 58 14.927 17.244 -20.601 440 HB3 LYS 58 HB3 LYS 58 15.595 15.764 -21.276 441 HG2 LYS 58 HG2 LYS 58 13.231 15.217 -22.081 442 HG3 LYS 58 HG3 LYS 58 12.791 16.867 -21.648 443 HD2 LYS 58 HD2 LYS 58 14.917 16.059 -23.673 444 HD3 LYS 58 HD3 LYS 58 13.313 16.684 -24.052 445 HE2 LYS 58 HE2 LYS 58 13.908 18.835 -22.977 446 HE3 LYS 58 HE3 LYS 58 15.520 18.210 -22.618 447 HZ1 LYS 58 HZ1 LYS 58 15.506 19.563 -24.617 448 HZ2 LYS 58 HZ2 LYS 58 14.364 18.554 -25.329 449 HZ3 LYS 58 HZ3 LYS 58 15.909 17.968 -24.990 450 H LEU 59 H LEU 59 14.080 15.568 -17.043 451 HA LEU 59 HA LEU 59 11.403 16.674 -16.943 452 HB2 LEU 59 HB2 LEU 59 12.108 14.962 -15.308 453 HB3 LEU 59 HB3 LEU 59 13.343 16.048 -14.680 454 HG LEU 59 HG LEU 59 11.610 17.609 -13.875 455 HD11 LEU 59 HD11 LEU 59 9.536 15.643 -14.916 456 HD12 LEU 59 HD12 LEU 59 9.924 17.195 -15.661 457 HD13 LEU 59 HD13 LEU 59 9.233 17.148 -14.049 458 HD21 LEU 59 HD21 LEU 59 10.626 16.212 -12.092 459 HD22 LEU 59 HD22 LEU 59 12.323 15.816 -12.347 460 HD23 LEU 59 HD23 LEU 59 11.067 14.750 -12.980 461 H CYS 60 H CYS 60 10.950 18.768 -16.883 462 HA CYS 60 HA CYS 60 13.088 20.705 -17.067 463 HB2 CYS 60 HB2 CYS 60 11.167 20.700 -18.656 464 HB3 CYS 60 HB3 CYS 60 10.090 21.142 -17.327 465 H ASP 61 H ASP 61 13.757 21.937 -15.455 466 HA ASP 61 HA ASP 61 12.588 21.934 -12.842 467 HB2 ASP 61 HB2 ASP 61 14.861 23.572 -14.055 468 HB3 ASP 61 HB3 ASP 61 14.400 23.650 -12.358 469 HA PRO 62 HA PRO 62 10.073 25.780 -13.079 470 HB2 PRO 62 HB2 PRO 62 10.979 26.079 -10.218 471 HB3 PRO 62 HB3 PRO 62 9.338 26.142 -10.885 472 HG2 PRO 62 HG2 PRO 62 10.141 23.987 -9.530 473 HG3 PRO 62 HG3 PRO 62 9.162 23.792 -11.002 474 HD2 PRO 62 HD2 PRO 62 12.148 23.475 -10.652 475 HD3 PRO 62 HD3 PRO 62 11.006 22.442 -11.542 476 H HIS 63 H HIS 63 10.668 27.909 -13.548 477 HA HIS 63 HA HIS 63 13.463 28.515 -13.725 478 HB2 HIS 63 HB2 HIS 63 12.781 30.625 -14.796 479 HB3 HIS 63 HB3 HIS 63 11.951 29.252 -15.498 480 HD1 HIS 63 HD1 HIS 63 9.357 29.068 -15.021 481 HD2 HIS 63 HD2 HIS 63 11.107 32.598 -13.694 482 HE1 HIS 63 HE1 HIS 63 7.458 30.656 -14.609 483 HE2 HIS 63 HE2 HIS 63 8.536 32.723 -13.679 484 HA PRO 64 HA PRO 64 13.488 30.774 -9.752 485 HB2 PRO 64 HB2 PRO 64 16.231 30.664 -9.387 486 HB3 PRO 64 HB3 PRO 64 15.117 29.368 -8.946 487 HG2 PRO 64 HG2 PRO 64 17.105 29.418 -11.097 488 HG3 PRO 64 HG3 PRO 64 16.168 28.045 -10.480 489 HD2 PRO 64 HD2 PRO 64 15.686 29.688 -12.877 490 HD3 PRO 64 HD3 PRO 64 14.942 28.141 -12.416 Start of MODEL 10 1 H MET 1 H MET 1 13.365 3.866 -5.128 2 HA MET 1 HA MET 1 10.942 4.527 -6.663 3 HB2 MET 1 HB2 MET 1 12.059 1.831 -5.769 4 HB3 MET 1 HB3 MET 1 10.386 2.052 -6.278 5 HG2 MET 1 HG2 MET 1 12.840 2.536 -7.985 6 HG3 MET 1 HG3 MET 1 11.727 1.170 -8.114 7 HE1 MET 1 HE1 MET 1 10.935 3.253 -11.377 8 HE2 MET 1 HE2 MET 1 11.321 1.651 -10.752 9 HE3 MET 1 HE3 MET 1 12.507 2.951 -10.629 10 H LYS 2 H LYS 2 9.742 5.657 -5.303 11 HA LYS 2 HA LYS 2 8.750 4.383 -2.887 12 HB2 LYS 2 HB2 LYS 2 10.647 5.772 -2.046 13 HB3 LYS 2 HB3 LYS 2 9.933 7.200 -2.786 14 HG2 LYS 2 HG2 LYS 2 8.096 7.201 -1.243 15 HG3 LYS 2 HG3 LYS 2 8.484 5.584 -0.654 16 HD2 LYS 2 HD2 LYS 2 10.219 8.056 -0.259 17 HD3 LYS 2 HD3 LYS 2 9.130 7.376 0.951 18 HE2 LYS 2 HE2 LYS 2 10.443 5.305 1.007 19 HE3 LYS 2 HE3 LYS 2 11.508 5.919 -0.256 20 HZ1 LYS 2 HZ1 LYS 2 11.171 7.123 2.431 21 HZ2 LYS 2 HZ2 LYS 2 12.234 7.657 1.233 22 HZ3 LYS 2 HZ3 LYS 2 12.463 6.145 1.957 23 H ARG 3 H ARG 3 6.604 5.088 -2.424 24 HA ARG 3 HA ARG 3 5.171 5.656 -4.832 25 HB2 ARG 3 HB2 ARG 3 4.203 5.268 -1.970 26 HB3 ARG 3 HB3 ARG 3 3.103 5.549 -3.314 27 HG2 ARG 3 HG2 ARG 3 3.117 3.197 -2.910 28 HG3 ARG 3 HG3 ARG 3 4.024 3.457 -4.396 29 HD2 ARG 3 HD2 ARG 3 6.136 3.232 -3.148 30 HD3 ARG 3 HD3 ARG 3 5.230 2.970 -1.654 31 HE ARG 3 HE ARG 3 4.695 1.146 -3.877 32 HH11 ARG 3 HH11 ARG 3 6.401 1.592 -0.839 33 HH12 ARG 3 HH12 ARG 3 6.656 -0.105 -0.599 34 HH21 ARG 3 HH21 ARG 3 5.077 -1.075 -3.552 35 HH22 ARG 3 HH22 ARG 3 5.909 -1.613 -2.129 36 H ALA 4 H ALA 4 5.996 7.580 -2.001 37 HA ALA 4 HA ALA 4 4.379 9.850 -2.503 38 HB1 ALA 4 HB1 ALA 4 5.896 11.030 -0.964 39 HB2 ALA 4 HB2 ALA 4 7.055 9.702 -1.069 40 HB3 ALA 4 HB3 ALA 4 5.475 9.438 -0.330 41 H ALA 5 H ALA 5 7.769 9.110 -3.375 42 HA ALA 5 HA ALA 5 8.271 11.468 -4.895 43 HB1 ALA 5 HB1 ALA 5 10.089 10.112 -3.950 44 HB2 ALA 5 HB2 ALA 5 10.280 10.286 -5.693 45 HB3 ALA 5 HB3 ALA 5 9.669 8.773 -5.018 46 H ALA 6 H ALA 6 6.874 8.345 -5.682 47 HA ALA 6 HA ALA 6 7.060 8.436 -8.522 48 HB1 ALA 6 HB1 ALA 6 5.372 6.623 -8.482 49 HB2 ALA 6 HB2 ALA 6 5.096 6.909 -6.761 50 HB3 ALA 6 HB3 ALA 6 6.663 6.321 -7.318 51 H LYS 7 H LYS 7 4.450 9.180 -6.226 52 HA LYS 7 HA LYS 7 2.498 10.160 -7.953 53 HB2 LYS 7 HB2 LYS 7 2.018 9.696 -5.602 54 HB3 LYS 7 HB3 LYS 7 3.155 10.931 -5.076 55 HG2 LYS 7 HG2 LYS 7 0.887 11.757 -4.788 56 HG3 LYS 7 HG3 LYS 7 1.689 12.688 -6.048 57 HD2 LYS 7 HD2 LYS 7 -0.598 12.222 -6.728 58 HD3 LYS 7 HD3 LYS 7 0.506 11.330 -7.774 59 HE2 LYS 7 HE2 LYS 7 0.075 9.272 -6.466 60 HE3 LYS 7 HE3 LYS 7 -1.027 10.171 -5.419 61 HZ1 LYS 7 HZ1 LYS 7 -1.364 9.763 -8.339 62 HZ2 LYS 7 HZ2 LYS 7 -2.435 10.590 -7.333 63 HZ3 LYS 7 HZ3 LYS 7 -2.204 8.927 -7.133 64 H HIS 8 H HIS 8 5.023 11.958 -6.181 65 HA HIS 8 HA HIS 8 4.410 14.539 -7.081 66 HB2 HIS 8 HB2 HIS 8 6.914 13.303 -5.916 67 HB3 HIS 8 HB3 HIS 8 6.968 14.953 -6.528 68 HD1 HIS 8 HD1 HIS 8 6.880 16.477 -4.584 69 HD2 HIS 8 HD2 HIS 8 4.282 13.274 -4.110 70 HE1 HIS 8 HE1 HIS 8 5.667 16.904 -2.430 71 HE2 HIS 8 HE2 HIS 8 4.016 15.016 -2.233 72 H LEU 9 H LEU 9 6.672 12.136 -8.446 73 HA LEU 9 HA LEU 9 7.683 13.861 -10.480 74 HB2 LEU 9 HB2 LEU 9 8.045 11.013 -9.720 75 HB3 LEU 9 HB3 LEU 9 8.244 11.316 -11.435 76 HG LEU 9 HG LEU 9 10.405 11.375 -10.250 77 HD11 LEU 9 HD11 LEU 9 11.238 13.502 -11.145 78 HD12 LEU 9 HD12 LEU 9 9.583 14.092 -11.312 79 HD13 LEU 9 HD13 LEU 9 10.130 12.718 -12.273 80 HD21 LEU 9 HD21 LEU 9 10.960 13.156 -8.656 81 HD22 LEU 9 HD22 LEU 9 9.646 12.157 -8.043 82 HD23 LEU 9 HD23 LEU 9 9.300 13.753 -8.715 83 H ILE 10 H ILE 10 5.079 11.428 -10.489 84 HA ILE 10 HA ILE 10 4.445 11.583 -13.254 85 HB ILE 10 HB ILE 10 2.720 10.853 -10.847 86 HG12 ILE 10 HG12 ILE 10 3.942 9.056 -13.009 87 HG13 ILE 10 HG13 ILE 10 4.664 9.333 -11.430 88 HG21 ILE 10 HG21 ILE 10 1.197 11.647 -12.614 89 HG22 ILE 10 HG22 ILE 10 1.044 9.902 -12.425 90 HG23 ILE 10 HG23 ILE 10 1.951 10.563 -13.788 91 HD11 ILE 10 HD11 ILE 10 2.738 8.285 -10.359 92 HD12 ILE 10 HD12 ILE 10 3.514 7.211 -11.522 93 HD13 ILE 10 HD13 ILE 10 2.003 8.015 -11.942 94 H GLU 11 H GLU 11 3.377 13.448 -10.438 95 HA GLU 11 HA GLU 11 1.591 15.229 -11.726 96 HB2 GLU 11 HB2 GLU 11 3.214 15.470 -9.161 97 HB3 GLU 11 HB3 GLU 11 2.088 16.714 -9.680 98 HG2 GLU 11 HG2 GLU 11 1.367 13.844 -9.017 99 HG3 GLU 11 HG3 GLU 11 1.088 15.254 -7.990 100 H ARG 12 H ARG 12 5.093 15.279 -11.275 101 HA ARG 12 HA ARG 12 5.600 17.962 -12.065 102 HB2 ARG 12 HB2 ARG 12 7.366 15.483 -12.024 103 HB3 ARG 12 HB3 ARG 12 7.979 17.064 -12.466 104 HG2 ARG 12 HG2 ARG 12 6.644 16.654 -9.795 105 HG3 ARG 12 HG3 ARG 12 8.322 16.184 -10.033 106 HD2 ARG 12 HD2 ARG 12 8.227 18.385 -9.053 107 HD3 ARG 12 HD3 ARG 12 8.860 18.499 -10.693 108 HE ARG 12 HE ARG 12 6.010 19.012 -10.396 109 HH11 ARG 12 HH11 ARG 12 9.234 20.432 -10.581 110 HH12 ARG 12 HH12 ARG 12 8.648 22.033 -10.900 111 HH21 ARG 12 HH21 ARG 12 5.273 21.115 -10.847 112 HH22 ARG 12 HH22 ARG 12 6.402 22.416 -11.050 113 H TYR 13 H TYR 13 5.689 14.867 -13.854 114 HA TYR 13 HA TYR 13 6.403 16.043 -16.380 115 HB2 TYR 13 HB2 TYR 13 5.459 13.261 -15.607 116 HB3 TYR 13 HB3 TYR 13 5.812 13.703 -17.279 117 HD1 TYR 13 HD1 TYR 13 8.239 14.740 -17.693 118 HD2 TYR 13 HD2 TYR 13 7.211 12.353 -14.299 119 HE1 TYR 13 HE1 TYR 13 10.610 14.192 -17.348 120 HE2 TYR 13 HE2 TYR 13 9.564 11.814 -13.960 121 HH TYR 13 HH TYR 13 11.614 11.736 -15.202 122 H TYR 14 H TYR 14 3.359 15.138 -14.843 123 HA TYR 14 HA TYR 14 1.679 15.376 -17.133 124 HB2 TYR 14 HB2 TYR 14 1.027 14.145 -15.030 125 HB3 TYR 14 HB3 TYR 14 0.894 15.689 -14.197 126 HD1 TYR 14 HD1 TYR 14 -0.571 13.613 -16.927 127 HD2 TYR 14 HD2 TYR 14 -1.131 17.052 -14.445 128 HE1 TYR 14 HE1 TYR 14 -2.895 13.801 -17.696 129 HE2 TYR 14 HE2 TYR 14 -3.448 17.230 -15.225 130 HH TYR 14 HH TYR 14 -4.752 16.503 -17.306 131 H HIS 15 H HIS 15 2.492 17.569 -14.461 132 HA HIS 15 HA HIS 15 0.968 19.815 -15.314 133 HB2 HIS 15 HB2 HIS 15 1.801 19.504 -12.974 134 HB3 HIS 15 HB3 HIS 15 3.453 19.722 -13.539 135 HD1 HIS 15 HD1 HIS 15 3.991 22.220 -14.509 136 HD2 HIS 15 HD2 HIS 15 0.503 21.822 -12.288 137 HE1 HIS 15 HE1 HIS 15 3.373 24.539 -13.809 138 HE2 HIS 15 HE2 HIS 15 1.303 24.270 -12.393 139 H GLN 16 H GLN 16 4.236 18.686 -15.964 140 HA GLN 16 HA GLN 16 5.370 20.875 -17.282 141 HB2 GLN 16 HB2 GLN 16 6.643 18.871 -16.608 142 HB3 GLN 16 HB3 GLN 16 5.740 17.882 -17.748 143 HG2 GLN 16 HG2 GLN 16 6.752 19.183 -19.617 144 HG3 GLN 16 HG3 GLN 16 7.714 20.078 -18.445 145 HE21 GLN 16 HE21 GLN 16 7.257 16.964 -19.979 146 HE22 GLN 16 HE22 GLN 16 8.760 16.281 -19.485 147 H LEU 17 H LEU 17 3.408 18.191 -18.559 148 HA LEU 17 HA LEU 17 3.433 19.057 -21.299 149 HB2 LEU 17 HB2 LEU 17 1.657 17.069 -19.835 150 HB3 LEU 17 HB3 LEU 17 1.682 17.278 -21.579 151 HG LEU 17 HG LEU 17 4.122 16.449 -19.986 152 HD11 LEU 17 HD11 LEU 17 2.173 14.641 -21.432 153 HD12 LEU 17 HD12 LEU 17 2.405 14.742 -19.685 154 HD13 LEU 17 HD13 LEU 17 3.707 14.143 -20.709 155 HD21 LEU 17 HD21 LEU 17 5.021 15.710 -22.152 156 HD22 LEU 17 HD22 LEU 17 4.655 17.432 -22.172 157 HD23 LEU 17 HD23 LEU 17 3.567 16.295 -22.966 158 H THR 18 H THR 18 0.931 19.165 -18.732 159 HA THR 18 HA THR 18 -1.106 20.244 -20.434 160 HB THR 18 HB THR 18 -2.421 20.490 -18.256 161 HG1 THR 18 HG1 THR 18 -0.600 18.970 -16.838 162 HG21 THR 18 HG21 THR 18 -2.558 18.410 -19.582 163 HG22 THR 18 HG22 THR 18 -2.663 18.083 -17.852 164 HG23 THR 18 HG23 THR 18 -1.158 17.765 -18.719 165 H GLU 19 H GLU 19 0.426 21.608 -17.505 166 HA GLU 19 HA GLU 19 -0.708 24.225 -18.056 167 HB2 GLU 19 HB2 GLU 19 1.093 23.307 -15.784 168 HB3 GLU 19 HB3 GLU 19 0.162 24.798 -15.830 169 HG2 GLU 19 HG2 GLU 19 -0.955 21.984 -15.712 170 HG3 GLU 19 HG3 GLU 19 -0.905 23.146 -14.386 171 H GLY 20 H GLY 20 2.433 22.645 -18.074 172 HA2 GLY 20 HA2 GLY 20 4.360 23.303 -19.222 173 HA3 GLY 20 HA3 GLY 20 3.737 24.938 -19.362 174 H CYS 21 H CYS 21 5.306 26.129 -18.451 175 HA CYS 21 HA CYS 21 5.710 25.930 -15.544 176 HB2 CYS 21 HB2 CYS 21 8.196 26.199 -15.865 177 HB3 CYS 21 HB3 CYS 21 7.576 24.661 -16.465 178 H GLY 22 H GLY 22 5.004 27.868 -18.152 179 HA2 GLY 22 HA2 GLY 22 4.639 30.145 -18.250 180 HA3 GLY 22 HA3 GLY 22 5.486 30.349 -16.728 181 H ASN 23 H ASN 23 7.909 28.970 -17.635 182 HA ASN 23 HA ASN 23 9.464 31.109 -18.415 183 HB2 ASN 23 HB2 ASN 23 10.413 29.225 -17.220 184 HB3 ASN 23 HB3 ASN 23 10.010 28.120 -18.522 185 HD21 ASN 23 HD21 ASN 23 11.496 31.285 -19.119 186 HD22 ASN 23 HD22 ASN 23 13.024 30.663 -19.616 187 H GLU 24 H GLU 24 9.788 32.085 -20.285 188 HA GLU 24 HA GLU 24 8.614 31.280 -22.756 189 HB2 GLU 24 HB2 GLU 24 9.715 33.363 -23.641 190 HB3 GLU 24 HB3 GLU 24 8.750 33.636 -22.200 191 HG2 GLU 24 HG2 GLU 24 10.826 33.635 -20.830 192 HG3 GLU 24 HG3 GLU 24 11.775 33.436 -22.299 193 H ALA 25 H ALA 25 11.987 31.400 -21.605 194 HA ALA 25 HA ALA 25 13.023 30.215 -24.100 195 HB1 ALA 25 HB1 ALA 25 14.203 32.174 -23.152 196 HB2 ALA 25 HB2 ALA 25 15.239 30.750 -23.163 197 HB3 ALA 25 HB3 ALA 25 14.499 31.284 -21.654 198 H CYS 26 H CYS 26 11.368 28.512 -22.842 199 HA CYS 26 HA CYS 26 12.629 26.752 -20.963 200 HB2 CYS 26 HB2 CYS 26 10.219 27.003 -20.890 201 HB3 CYS 26 HB3 CYS 26 10.064 26.520 -22.577 202 H THR 27 H THR 27 14.210 25.393 -21.522 203 HA THR 27 HA THR 27 14.645 24.476 -24.257 204 HB THR 27 HB THR 27 16.768 23.542 -23.297 205 HG1 THR 27 HG1 THR 27 17.189 23.746 -21.130 206 HG21 THR 27 HG21 THR 27 16.740 25.905 -24.064 207 HG22 THR 27 HG22 THR 27 17.844 25.674 -22.707 208 HG23 THR 27 HG23 THR 27 16.267 26.420 -22.443 209 H ASN 28 H ASN 28 12.269 23.370 -23.244 210 HA ASN 28 HA ASN 28 12.861 20.507 -23.244 211 HB2 ASN 28 HB2 ASN 28 12.554 21.236 -20.832 212 HB3 ASN 28 HB3 ASN 28 10.930 21.773 -21.240 213 HD21 ASN 28 HD21 ASN 28 11.804 19.763 -19.325 214 HD22 ASN 28 HD22 ASN 28 10.996 18.300 -19.746 215 H GLU 29 H GLU 29 11.936 20.007 -25.134 216 HA GLU 29 HA GLU 29 9.734 21.349 -26.338 217 HB2 GLU 29 HB2 GLU 29 9.848 19.645 -28.106 218 HB3 GLU 29 HB3 GLU 29 11.434 20.301 -27.749 219 HG2 GLU 29 HG2 GLU 29 10.496 17.641 -26.634 220 HG3 GLU 29 HG3 GLU 29 11.260 17.786 -28.208 221 H PHE 30 H PHE 30 9.898 18.655 -24.158 222 HA PHE 30 HA PHE 30 7.146 17.753 -24.637 223 HB2 PHE 30 HB2 PHE 30 9.144 16.872 -22.491 224 HB3 PHE 30 HB3 PHE 30 7.618 16.079 -22.875 225 HD1 PHE 30 HD1 PHE 30 7.323 15.123 -25.268 226 HD2 PHE 30 HD2 PHE 30 11.128 16.210 -23.621 227 HE1 PHE 30 HE1 PHE 30 8.462 13.722 -26.939 228 HE2 PHE 30 HE2 PHE 30 12.250 14.800 -25.290 229 HZ PHE 30 HZ PHE 30 10.918 13.556 -26.950 230 H CYS 31 H CYS 31 7.236 20.454 -23.926 231 HA CYS 31 HA CYS 31 5.976 20.566 -21.281 232 HB2 CYS 31 HB2 CYS 31 8.472 20.925 -20.989 233 HB3 CYS 31 HB3 CYS 31 8.351 22.330 -22.017 234 H ALA 32 H ALA 32 4.316 22.053 -21.302 235 HA ALA 32 HA ALA 32 3.545 23.354 -23.719 236 HB1 ALA 32 HB1 ALA 32 1.634 24.215 -22.424 237 HB2 ALA 32 HB2 ALA 32 2.401 23.698 -20.920 238 HB3 ALA 32 HB3 ALA 32 1.890 22.498 -22.105 239 H SER 33 H SER 33 3.105 25.634 -23.937 240 HA SER 33 HA SER 33 3.746 27.756 -24.205 241 HB2 SER 33 HB2 SER 33 5.201 27.505 -21.548 242 HB3 SER 33 HB3 SER 33 4.928 29.018 -22.414 243 HG SER 33 HG SER 33 2.684 28.649 -22.205 244 H CYS 34 H CYS 34 5.782 25.187 -24.453 245 HA CYS 34 HA CYS 34 7.976 26.727 -25.632 246 HB2 CYS 34 HB2 CYS 34 7.485 23.715 -25.516 247 HB3 CYS 34 HB3 CYS 34 8.949 24.495 -26.123 248 HG CYS 34 HG CYS 34 10.068 24.135 -23.861 249 HA PRO 35 HA PRO 35 5.704 26.896 -29.548 250 HB2 PRO 35 HB2 PRO 35 7.743 27.563 -31.265 251 HB3 PRO 35 HB3 PRO 35 7.079 28.708 -30.090 252 HG2 PRO 35 HG2 PRO 35 9.553 26.993 -29.851 253 HG3 PRO 35 HG3 PRO 35 9.364 28.726 -29.505 254 HD2 PRO 35 HD2 PRO 35 9.324 26.867 -27.526 255 HD3 PRO 35 HD3 PRO 35 8.306 28.323 -27.444 256 H THR 36 H THR 36 8.252 24.703 -28.923 257 HA THR 36 HA THR 36 8.067 23.063 -31.285 258 HB THR 36 HB THR 36 9.526 21.504 -29.902 259 HG1 THR 36 HG1 THR 36 8.814 22.032 -27.839 260 HG21 THR 36 HG21 THR 36 10.597 23.229 -31.314 261 HG22 THR 36 HG22 THR 36 11.499 22.995 -29.819 262 HG23 THR 36 HG23 THR 36 10.459 24.408 -30.004 263 H PHE 37 H PHE 37 6.387 23.278 -28.246 264 HA PHE 37 HA PHE 37 5.354 20.542 -28.315 265 HB2 PHE 37 HB2 PHE 37 6.023 21.559 -26.139 266 HB3 PHE 37 HB3 PHE 37 4.803 22.807 -26.348 267 HD1 PHE 37 HD1 PHE 37 5.321 19.174 -25.756 268 HD2 PHE 37 HD2 PHE 37 2.472 22.369 -25.771 269 HE1 PHE 37 HE1 PHE 37 3.693 17.739 -24.612 270 HE2 PHE 37 HE2 PHE 37 0.854 20.924 -24.625 271 HZ PHE 37 HZ PHE 37 1.460 18.608 -24.042 272 H LEU 38 H LEU 38 3.614 20.119 -29.613 273 HA LEU 38 HA LEU 38 1.543 22.134 -30.120 274 HB2 LEU 38 HB2 LEU 38 2.317 20.576 -31.943 275 HB3 LEU 38 HB3 LEU 38 1.696 19.217 -31.017 276 HG LEU 38 HG LEU 38 -0.619 20.157 -31.228 277 HD11 LEU 38 HD11 LEU 38 0.658 22.263 -33.005 278 HD12 LEU 38 HD12 LEU 38 -0.104 22.535 -31.437 279 HD13 LEU 38 HD13 LEU 38 -1.077 22.003 -32.806 280 HD21 LEU 38 HD21 LEU 38 0.132 18.474 -32.857 281 HD22 LEU 38 HD22 LEU 38 0.771 19.744 -33.902 282 HD23 LEU 38 HD23 LEU 38 -0.966 19.633 -33.609 283 H ARG 39 H ARG 39 -0.499 22.051 -29.188 284 HA ARG 39 HA ARG 39 -0.659 20.822 -26.605 285 HB2 ARG 39 HB2 ARG 39 -2.805 22.347 -28.142 286 HB3 ARG 39 HB3 ARG 39 -2.876 21.921 -26.436 287 HG2 ARG 39 HG2 ARG 39 -0.969 23.860 -27.759 288 HG3 ARG 39 HG3 ARG 39 -2.255 24.239 -26.616 289 HD2 ARG 39 HD2 ARG 39 -1.004 22.934 -24.875 290 HD3 ARG 39 HD3 ARG 39 0.317 22.726 -26.027 291 HE ARG 39 HE ARG 39 -0.517 25.218 -24.708 292 HH11 ARG 39 HH11 ARG 39 1.798 23.645 -26.861 293 HH12 ARG 39 HH12 ARG 39 2.897 24.986 -26.835 294 HH21 ARG 39 HH21 ARG 39 0.931 26.939 -24.692 295 HH22 ARG 39 HH22 ARG 39 2.400 26.853 -25.618 296 H MET 40 H MET 40 -2.630 19.643 -25.879 297 HA MET 40 HA MET 40 -3.554 17.549 -27.708 298 HB2 MET 40 HB2 MET 40 -2.562 15.785 -26.086 299 HB3 MET 40 HB3 MET 40 -1.436 16.597 -27.164 300 HG2 MET 40 HG2 MET 40 -0.523 16.352 -24.888 301 HG3 MET 40 HG3 MET 40 -0.677 18.047 -25.357 302 HE1 MET 40 HE1 MET 40 -0.787 19.314 -23.137 303 HE2 MET 40 HE2 MET 40 -0.152 17.810 -22.465 304 HE3 MET 40 HE3 MET 40 -1.497 18.630 -21.675 305 H ASP 41 H ASP 41 -4.551 15.732 -26.058 306 HA ASP 41 HA ASP 41 -6.613 17.124 -24.482 307 HB2 ASP 41 HB2 ASP 41 -6.383 14.236 -25.452 308 HB3 ASP 41 HB3 ASP 41 -7.714 14.839 -24.470 309 H ASN 42 H ASN 42 -7.299 16.123 -22.434 310 HA ASN 42 HA ASN 42 -5.266 16.057 -20.504 311 HB2 ASN 42 HB2 ASN 42 -7.037 15.430 -18.903 312 HB3 ASN 42 HB3 ASN 42 -7.600 16.689 -19.991 313 HD21 ASN 42 HD21 ASN 42 -7.962 13.353 -19.046 314 HD22 ASN 42 HD22 ASN 42 -9.397 13.035 -19.962 315 H ASN 43 H ASN 43 -6.850 13.421 -22.224 316 HA ASN 43 HA ASN 43 -5.807 11.261 -20.682 317 HB2 ASN 43 HB2 ASN 43 -6.897 11.334 -23.526 318 HB3 ASN 43 HB3 ASN 43 -6.475 9.854 -22.670 319 HD21 ASN 43 HD21 ASN 43 -9.080 10.669 -23.713 320 HD22 ASN 43 HD22 ASN 43 -10.157 10.697 -22.362 321 H ALA 44 H ALA 44 -4.831 12.758 -23.775 322 HA ALA 44 HA ALA 44 -2.560 11.220 -24.361 323 HB1 ALA 44 HB1 ALA 44 -3.068 14.145 -25.026 324 HB2 ALA 44 HB2 ALA 44 -3.591 12.756 -25.979 325 HB3 ALA 44 HB3 ALA 44 -1.871 13.103 -25.805 326 H ALA 45 H ALA 45 -2.962 14.030 -22.302 327 HA ALA 45 HA ALA 45 -0.251 14.555 -21.652 328 HB1 ALA 45 HB1 ALA 45 -2.773 15.164 -20.067 329 HB2 ALA 45 HB2 ALA 45 -2.064 16.190 -21.314 330 HB3 ALA 45 HB3 ALA 45 -1.184 15.891 -19.815 331 H ALA 46 H ALA 46 -2.784 12.539 -20.134 332 HA ALA 46 HA ALA 46 -1.324 11.771 -17.819 333 HB1 ALA 46 HB1 ALA 46 -3.081 10.069 -17.519 334 HB2 ALA 46 HB2 ALA 46 -3.661 10.372 -19.161 335 HB3 ALA 46 HB3 ALA 46 -3.771 11.638 -17.939 336 H ILE 47 H ILE 47 -1.742 10.275 -20.996 337 HA ILE 47 HA ILE 47 -0.416 7.830 -20.487 338 HB ILE 47 HB ILE 47 -0.796 9.295 -23.145 339 HG12 ILE 47 HG12 ILE 47 -2.966 8.802 -22.100 340 HG13 ILE 47 HG13 ILE 47 -2.740 7.750 -23.486 341 HG21 ILE 47 HG21 ILE 47 -0.041 6.383 -22.677 342 HG22 ILE 47 HG22 ILE 47 0.991 7.633 -23.364 343 HG23 ILE 47 HG23 ILE 47 -0.436 7.092 -24.244 344 HD11 ILE 47 HD11 ILE 47 -2.438 6.982 -20.584 345 HD12 ILE 47 HD12 ILE 47 -2.150 5.909 -21.953 346 HD13 ILE 47 HD13 ILE 47 -3.766 6.550 -21.661 347 H LYS 48 H LYS 48 0.674 10.821 -22.124 348 HA LYS 48 HA LYS 48 3.361 9.985 -22.480 349 HB2 LYS 48 HB2 LYS 48 2.134 11.721 -23.856 350 HB3 LYS 48 HB3 LYS 48 2.303 12.839 -22.509 351 HG2 LYS 48 HG2 LYS 48 3.991 13.273 -24.232 352 HG3 LYS 48 HG3 LYS 48 4.751 12.765 -22.722 353 HD2 LYS 48 HD2 LYS 48 5.125 10.515 -23.610 354 HD3 LYS 48 HD3 LYS 48 4.228 10.906 -25.078 355 HE2 LYS 48 HE2 LYS 48 6.842 12.180 -24.211 356 HE3 LYS 48 HE3 LYS 48 6.663 10.947 -25.459 357 HZ1 LYS 48 HZ1 LYS 48 5.503 13.675 -25.537 358 HZ2 LYS 48 HZ2 LYS 48 5.294 12.490 -26.719 359 HZ3 LYS 48 HZ3 LYS 48 6.827 13.122 -26.428 360 H ALA 49 H ALA 49 1.735 11.554 -19.788 361 HA ALA 49 HA ALA 49 3.964 12.612 -18.388 362 HB1 ALA 49 HB1 ALA 49 2.545 12.506 -16.370 363 HB2 ALA 49 HB2 ALA 49 1.392 11.472 -17.221 364 HB3 ALA 49 HB3 ALA 49 1.638 13.137 -17.745 365 H LEU 50 H LEU 50 2.328 9.471 -18.206 366 HA LEU 50 HA LEU 50 4.165 8.277 -16.377 367 HB2 LEU 50 HB2 LEU 50 1.925 7.240 -18.110 368 HB3 LEU 50 HB3 LEU 50 3.056 6.077 -17.444 369 HG LEU 50 HG LEU 50 1.053 6.233 -16.042 370 HD11 LEU 50 HD11 LEU 50 3.485 7.387 -14.639 371 HD12 LEU 50 HD12 LEU 50 3.169 5.679 -14.951 372 HD13 LEU 50 HD13 LEU 50 2.120 6.578 -13.859 373 HD21 LEU 50 HD21 LEU 50 0.372 8.542 -16.520 374 HD22 LEU 50 HD22 LEU 50 1.747 9.157 -15.600 375 HD23 LEU 50 HD23 LEU 50 0.469 8.256 -14.784 376 H GLU 51 H GLU 51 4.045 8.460 -19.923 377 HA GLU 51 HA GLU 51 6.053 6.542 -20.481 378 HB2 GLU 51 HB2 GLU 51 5.261 9.001 -22.084 379 HB3 GLU 51 HB3 GLU 51 6.299 7.715 -22.687 380 HG2 GLU 51 HG2 GLU 51 3.376 7.489 -21.940 381 HG3 GLU 51 HG3 GLU 51 4.057 7.430 -23.557 382 H LEU 52 H LEU 52 6.247 10.070 -20.046 383 HA LEU 52 HA LEU 52 9.071 10.303 -20.344 384 HB2 LEU 52 HB2 LEU 52 7.081 12.146 -18.960 385 HB3 LEU 52 HB3 LEU 52 8.752 12.564 -19.300 386 HG LEU 52 HG LEU 52 6.643 11.990 -21.417 387 HD11 LEU 52 HD11 LEU 52 6.710 14.401 -21.890 388 HD12 LEU 52 HD12 LEU 52 7.806 14.642 -20.528 389 HD13 LEU 52 HD13 LEU 52 6.158 14.074 -20.248 390 HD21 LEU 52 HD21 LEU 52 8.890 11.389 -22.216 391 HD22 LEU 52 HD22 LEU 52 9.494 12.985 -21.766 392 HD23 LEU 52 HD23 LEU 52 8.291 12.825 -23.046 393 H TYR 53 H TYR 53 6.989 9.587 -17.626 394 HA TYR 53 HA TYR 53 8.892 9.929 -15.533 395 HB2 TYR 53 HB2 TYR 53 6.526 9.901 -14.981 396 HB3 TYR 53 HB3 TYR 53 6.304 8.309 -15.704 397 HD1 TYR 53 HD1 TYR 53 8.366 9.966 -13.008 398 HD2 TYR 53 HD2 TYR 53 6.216 6.463 -14.204 399 HE1 TYR 53 HE1 TYR 53 8.822 8.940 -10.835 400 HE2 TYR 53 HE2 TYR 53 6.689 5.440 -12.019 401 HH TYR 53 HH TYR 53 8.347 5.644 -10.200 402 H LYS 54 H LYS 54 7.814 7.032 -17.361 403 HA LYS 54 HA LYS 54 9.365 5.185 -15.825 404 HB2 LYS 54 HB2 LYS 54 8.592 3.467 -17.396 405 HB3 LYS 54 HB3 LYS 54 7.256 4.490 -16.892 406 HG2 LYS 54 HG2 LYS 54 7.443 5.733 -19.065 407 HG3 LYS 54 HG3 LYS 54 8.693 4.598 -19.566 408 HD2 LYS 54 HD2 LYS 54 6.502 4.004 -20.537 409 HD3 LYS 54 HD3 LYS 54 7.086 2.736 -19.459 410 HE2 LYS 54 HE2 LYS 54 5.556 3.471 -17.704 411 HE3 LYS 54 HE3 LYS 54 5.049 4.850 -18.684 412 HZ1 LYS 54 HZ1 LYS 54 4.659 2.009 -19.444 413 HZ2 LYS 54 HZ2 LYS 54 4.074 3.365 -20.269 414 HZ3 LYS 54 HZ3 LYS 54 3.476 2.987 -18.732 415 H ILE 55 H ILE 55 9.964 6.953 -18.811 416 HA ILE 55 HA ILE 55 12.421 5.459 -19.410 417 HB ILE 55 HB ILE 55 12.643 6.870 -21.394 418 HG12 ILE 55 HG12 ILE 55 10.279 8.457 -20.288 419 HG13 ILE 55 HG13 ILE 55 11.909 9.054 -20.557 420 HG21 ILE 55 HG21 ILE 55 9.776 5.899 -21.065 421 HG22 ILE 55 HG22 ILE 55 11.157 4.908 -21.545 422 HG23 ILE 55 HG23 ILE 55 10.593 6.201 -22.601 423 HD11 ILE 55 HD11 ILE 55 9.940 8.237 -22.690 424 HD12 ILE 55 HD12 ILE 55 11.586 8.807 -22.980 425 HD13 ILE 55 HD13 ILE 55 10.397 9.880 -22.243 426 H ASN 56 H ASN 56 11.539 8.037 -17.417 427 HA ASN 56 HA ASN 56 12.632 9.508 -16.098 428 HB2 ASN 56 HB2 ASN 56 15.071 7.854 -16.886 429 HB3 ASN 56 HB3 ASN 56 15.106 9.110 -15.656 430 HD21 ASN 56 HD21 ASN 56 12.402 6.804 -16.042 431 HD22 ASN 56 HD22 ASN 56 12.692 5.979 -14.560 432 H ALA 57 H ALA 57 11.926 10.462 -18.439 433 HA ALA 57 HA ALA 57 13.909 11.566 -20.129 434 HB1 ALA 57 HB1 ALA 57 11.006 12.383 -19.768 435 HB2 ALA 57 HB2 ALA 57 11.605 11.153 -20.883 436 HB3 ALA 57 HB3 ALA 57 12.053 12.842 -21.116 437 H LYS 58 H LYS 58 14.050 13.914 -20.573 438 HA LYS 58 HA LYS 58 15.068 15.422 -18.456 439 HB2 LYS 58 HB2 LYS 58 14.948 17.353 -20.118 440 HB3 LYS 58 HB3 LYS 58 15.811 15.923 -20.670 441 HG2 LYS 58 HG2 LYS 58 13.749 15.215 -21.900 442 HG3 LYS 58 HG3 LYS 58 12.993 16.739 -21.456 443 HD2 LYS 58 HD2 LYS 58 15.542 16.485 -23.096 444 HD3 LYS 58 HD3 LYS 58 13.934 16.751 -23.765 445 HE2 LYS 58 HE2 LYS 58 13.802 18.887 -22.448 446 HE3 LYS 58 HE3 LYS 58 15.484 18.646 -21.969 447 HZ1 LYS 58 HZ1 LYS 58 15.231 20.130 -23.888 448 HZ2 LYS 58 HZ2 LYS 58 14.535 18.866 -24.777 449 HZ3 LYS 58 HZ3 LYS 58 16.144 18.758 -24.259 450 H LEU 59 H LEU 59 13.836 15.895 -16.767 451 HA LEU 59 HA LEU 59 11.115 16.858 -16.938 452 HB2 LEU 59 HB2 LEU 59 11.797 15.380 -15.086 453 HB3 LEU 59 HB3 LEU 59 12.980 16.564 -14.546 454 HG LEU 59 HG LEU 59 11.117 18.161 -14.033 455 HD11 LEU 59 HD11 LEU 59 9.254 15.866 -14.742 456 HD12 LEU 59 HD12 LEU 59 9.469 17.350 -15.678 457 HD13 LEU 59 HD13 LEU 59 8.784 17.426 -14.059 458 HD21 LEU 59 HD21 LEU 59 11.996 16.714 -12.245 459 HD22 LEU 59 HD22 LEU 59 10.816 15.470 -12.658 460 HD23 LEU 59 HD23 LEU 59 10.274 17.025 -12.024 461 H CYS 60 H CYS 60 10.436 18.943 -16.565 462 HA CYS 60 HA CYS 60 12.443 21.046 -16.917 463 HB2 CYS 60 HB2 CYS 60 10.511 20.946 -18.471 464 HB3 CYS 60 HB3 CYS 60 9.407 21.189 -17.114 465 H ASP 61 H ASP 61 13.280 21.561 -14.967 466 HA ASP 61 HA ASP 61 11.456 22.319 -12.749 467 HB2 ASP 61 HB2 ASP 61 13.063 20.466 -12.219 468 HB3 ASP 61 HB3 ASP 61 14.398 21.530 -12.627 469 HA PRO 62 HA PRO 62 12.582 26.573 -13.768 470 HB2 PRO 62 HB2 PRO 62 11.992 27.757 -11.301 471 HB3 PRO 62 HB3 PRO 62 10.800 27.382 -12.550 472 HG2 PRO 62 HG2 PRO 62 11.524 25.798 -10.096 473 HG3 PRO 62 HG3 PRO 62 9.920 26.122 -10.791 474 HD2 PRO 62 HD2 PRO 62 11.157 23.753 -11.156 475 HD3 PRO 62 HD3 PRO 62 10.174 24.474 -12.441 476 H HIS 63 H HIS 63 14.694 26.896 -14.061 477 HA HIS 63 HA HIS 63 16.745 26.222 -12.187 478 HB2 HIS 63 HB2 HIS 63 16.848 27.691 -14.852 479 HB3 HIS 63 HB3 HIS 63 18.274 27.181 -13.949 480 HD1 HIS 63 HD1 HIS 63 15.866 25.997 -16.424 481 HD2 HIS 63 HD2 HIS 63 18.452 24.248 -13.680 482 HE1 HIS 63 HE1 HIS 63 16.081 23.602 -17.128 483 HE2 HIS 63 HE2 HIS 63 17.775 22.614 -15.565 484 HA PRO 64 HA PRO 64 16.827 30.115 -9.998 485 HB2 PRO 64 HB2 PRO 64 19.189 29.868 -8.634 486 HB3 PRO 64 HB3 PRO 64 17.746 28.927 -8.237 487 HG2 PRO 64 HG2 PRO 64 20.187 28.087 -9.763 488 HG3 PRO 64 HG3 PRO 64 19.217 27.162 -8.599 489 HD2 PRO 64 HD2 PRO 64 19.009 26.909 -11.359 490 HD3 PRO 64 HD3 PRO 64 17.726 26.482 -10.213 Start of MODEL 11 1 H MET 1 H MET 1 2.450 -0.763 -5.379 2 HA MET 1 HA MET 1 4.792 -0.628 -5.257 3 HB2 MET 1 HB2 MET 1 6.201 -0.604 -7.308 4 HB3 MET 1 HB3 MET 1 5.348 -2.128 -7.112 5 HG2 MET 1 HG2 MET 1 3.709 -1.445 -8.809 6 HG3 MET 1 HG3 MET 1 4.539 0.100 -8.998 7 HE1 MET 1 HE1 MET 1 4.780 -3.817 -9.580 8 HE2 MET 1 HE2 MET 1 6.155 -3.512 -8.520 9 HE3 MET 1 HE3 MET 1 6.420 -3.964 -10.207 10 H LYS 2 H LYS 2 2.260 1.041 -5.884 11 HA LYS 2 HA LYS 2 3.136 3.453 -7.130 12 HB2 LYS 2 HB2 LYS 2 0.724 2.759 -6.929 13 HB3 LYS 2 HB3 LYS 2 0.801 3.075 -5.202 14 HG2 LYS 2 HG2 LYS 2 1.307 5.467 -5.677 15 HG3 LYS 2 HG3 LYS 2 1.171 5.139 -7.406 16 HD2 LYS 2 HD2 LYS 2 -1.057 4.897 -5.334 17 HD3 LYS 2 HD3 LYS 2 -0.911 6.150 -6.567 18 HE2 LYS 2 HE2 LYS 2 -1.380 3.187 -7.086 19 HE3 LYS 2 HE3 LYS 2 -2.586 4.468 -7.211 20 HZ1 LYS 2 HZ1 LYS 2 -1.379 5.430 -9.030 21 HZ2 LYS 2 HZ2 LYS 2 -1.648 3.793 -9.358 22 HZ3 LYS 2 HZ3 LYS 2 -0.123 4.311 -8.860 23 H ARG 3 H ARG 3 4.979 4.221 -6.221 24 HA ARG 3 HA ARG 3 5.374 4.579 -3.378 25 HB2 ARG 3 HB2 ARG 3 6.970 5.654 -5.745 26 HB3 ARG 3 HB3 ARG 3 7.507 5.653 -4.073 27 HG2 ARG 3 HG2 ARG 3 6.886 3.120 -5.625 28 HG3 ARG 3 HG3 ARG 3 8.495 3.843 -5.546 29 HD2 ARG 3 HD2 ARG 3 6.893 2.890 -3.143 30 HD3 ARG 3 HD3 ARG 3 8.198 1.986 -3.924 31 HE ARG 3 HE ARG 3 9.076 4.585 -3.191 32 HH11 ARG 3 HH11 ARG 3 8.348 1.482 -1.696 33 HH12 ARG 3 HH12 ARG 3 9.483 1.715 -0.409 34 HH21 ARG 3 HH21 ARG 3 10.567 4.847 -1.529 35 HH22 ARG 3 HH22 ARG 3 10.733 3.623 -0.312 36 H ALA 4 H ALA 4 5.616 6.663 -2.330 37 HA ALA 4 HA ALA 4 3.640 8.606 -2.984 38 HB1 ALA 4 HB1 ALA 4 4.554 9.897 -1.106 39 HB2 ALA 4 HB2 ALA 4 5.976 8.852 -1.057 40 HB3 ALA 4 HB3 ALA 4 4.385 8.197 -0.671 41 H ALA 5 H ALA 5 7.166 8.555 -3.285 42 HA ALA 5 HA ALA 5 7.527 11.100 -4.472 43 HB1 ALA 5 HB1 ALA 5 9.763 10.288 -5.080 44 HB2 ALA 5 HB2 ALA 5 9.289 8.635 -4.686 45 HB3 ALA 5 HB3 ALA 5 9.367 9.855 -3.414 46 H ALA 6 H ALA 6 6.856 7.888 -5.821 47 HA ALA 6 HA ALA 6 7.254 8.448 -8.563 48 HB1 ALA 6 HB1 ALA 6 5.376 6.410 -7.329 49 HB2 ALA 6 HB2 ALA 6 7.084 6.151 -7.693 50 HB3 ALA 6 HB3 ALA 6 5.932 6.429 -9.002 51 H LYS 7 H LYS 7 4.301 8.522 -6.560 52 HA LYS 7 HA LYS 7 2.423 9.307 -8.491 53 HB2 LYS 7 HB2 LYS 7 1.722 8.529 -6.275 54 HB3 LYS 7 HB3 LYS 7 2.539 9.880 -5.496 55 HG2 LYS 7 HG2 LYS 7 0.933 11.447 -6.656 56 HG3 LYS 7 HG3 LYS 7 0.060 10.036 -7.256 57 HD2 LYS 7 HD2 LYS 7 0.497 10.699 -4.319 58 HD3 LYS 7 HD3 LYS 7 -0.973 11.055 -5.223 59 HE2 LYS 7 HE2 LYS 7 -1.394 8.690 -5.559 60 HE3 LYS 7 HE3 LYS 7 0.132 8.259 -4.784 61 HZ1 LYS 7 HZ1 LYS 7 -0.686 9.133 -2.709 62 HZ2 LYS 7 HZ2 LYS 7 -1.806 8.021 -3.316 63 HZ3 LYS 7 HZ3 LYS 7 -2.112 9.678 -3.443 64 H HIS 8 H HIS 8 4.455 11.242 -6.327 65 HA HIS 8 HA HIS 8 3.509 13.796 -7.166 66 HB2 HIS 8 HB2 HIS 8 5.905 12.929 -5.517 67 HB3 HIS 8 HB3 HIS 8 5.680 14.617 -5.964 68 HD1 HIS 8 HD1 HIS 8 4.760 15.827 -4.012 69 HD2 HIS 8 HD2 HIS 8 3.102 12.033 -4.361 70 HE1 HIS 8 HE1 HIS 8 3.049 15.666 -2.180 71 HE2 HIS 8 HE2 HIS 8 2.124 13.325 -2.362 72 H LEU 9 H LEU 9 6.132 11.729 -8.275 73 HA LEU 9 HA LEU 9 7.456 13.658 -9.909 74 HB2 LEU 9 HB2 LEU 9 7.730 10.802 -9.307 75 HB3 LEU 9 HB3 LEU 9 7.975 11.077 -11.012 76 HG LEU 9 HG LEU 9 10.085 11.068 -9.601 77 HD11 LEU 9 HD11 LEU 9 11.105 12.978 -10.744 78 HD12 LEU 9 HD12 LEU 9 9.507 13.596 -11.165 79 HD13 LEU 9 HD13 LEU 9 10.065 12.057 -11.827 80 HD21 LEU 9 HD21 LEU 9 9.066 13.758 -8.623 81 HD22 LEU 9 HD22 LEU 9 10.628 13.016 -8.261 82 HD23 LEU 9 HD23 LEU 9 9.149 12.283 -7.647 83 H ILE 10 H ILE 10 5.061 11.139 -10.586 84 HA ILE 10 HA ILE 10 4.580 11.623 -13.311 85 HB ILE 10 HB ILE 10 2.755 10.555 -11.112 86 HG12 ILE 10 HG12 ILE 10 4.221 9.009 -13.312 87 HG13 ILE 10 HG13 ILE 10 4.853 9.233 -11.685 88 HG21 ILE 10 HG21 ILE 10 1.276 9.628 -12.877 89 HG22 ILE 10 HG22 ILE 10 2.219 10.471 -14.108 90 HG23 ILE 10 HG23 ILE 10 1.311 11.391 -12.908 91 HD11 ILE 10 HD11 ILE 10 3.866 7.046 -11.944 92 HD12 ILE 10 HD12 ILE 10 2.326 7.757 -12.419 93 HD13 ILE 10 HD13 ILE 10 2.940 7.990 -10.778 94 H GLU 11 H GLU 11 3.399 13.185 -10.389 95 HA GLU 11 HA GLU 11 1.348 14.786 -11.515 96 HB2 GLU 11 HB2 GLU 11 1.611 14.170 -9.057 97 HB3 GLU 11 HB3 GLU 11 2.918 15.340 -8.974 98 HG2 GLU 11 HG2 GLU 11 0.914 16.347 -8.087 99 HG3 GLU 11 HG3 GLU 11 1.323 17.140 -9.607 100 H ARG 12 H ARG 12 4.791 15.325 -10.925 101 HA ARG 12 HA ARG 12 4.856 18.101 -11.634 102 HB2 ARG 12 HB2 ARG 12 7.138 16.073 -11.639 103 HB3 ARG 12 HB3 ARG 12 7.319 17.826 -11.681 104 HG2 ARG 12 HG2 ARG 12 6.285 17.968 -9.435 105 HG3 ARG 12 HG3 ARG 12 6.139 16.222 -9.410 106 HD2 ARG 12 HD2 ARG 12 8.678 16.112 -9.720 107 HD3 ARG 12 HD3 ARG 12 8.689 17.847 -9.374 108 HE ARG 12 HE ARG 12 7.265 16.584 -7.332 109 HH11 ARG 12 HH11 ARG 12 10.587 16.839 -8.451 110 HH12 ARG 12 HH12 ARG 12 11.259 16.336 -6.934 111 HH21 ARG 12 HH21 ARG 12 8.183 15.950 -5.340 112 HH22 ARG 12 HH22 ARG 12 9.907 15.833 -5.187 113 H TYR 13 H TYR 13 5.650 15.092 -13.354 114 HA TYR 13 HA TYR 13 6.258 16.164 -15.881 115 HB2 TYR 13 HB2 TYR 13 5.309 13.430 -14.974 116 HB3 TYR 13 HB3 TYR 13 5.466 13.775 -16.691 117 HD1 TYR 13 HD1 TYR 13 7.845 14.839 -17.381 118 HD2 TYR 13 HD2 TYR 13 7.194 12.426 -13.916 119 HE1 TYR 13 HE1 TYR 13 10.228 14.235 -17.347 120 HE2 TYR 13 HE2 TYR 13 9.574 11.825 -13.885 121 HH TYR 13 HH TYR 13 11.916 13.418 -15.857 122 H TYR 14 H TYR 14 3.167 15.226 -14.421 123 HA TYR 14 HA TYR 14 1.508 15.427 -16.690 124 HB2 TYR 14 HB2 TYR 14 0.738 14.315 -14.621 125 HB3 TYR 14 HB3 TYR 14 0.827 15.838 -13.743 126 HD1 TYR 14 HD1 TYR 14 -0.835 14.362 -16.772 127 HD2 TYR 14 HD2 TYR 14 -1.181 17.085 -13.491 128 HE1 TYR 14 HE1 TYR 14 -3.152 14.837 -17.398 129 HE2 TYR 14 HE2 TYR 14 -3.498 17.558 -14.128 130 HH TYR 14 HH TYR 14 -5.185 15.638 -16.432 131 H HIS 15 H HIS 15 2.285 17.754 -14.131 132 HA HIS 15 HA HIS 15 0.844 19.967 -15.159 133 HB2 HIS 15 HB2 HIS 15 3.193 19.904 -13.218 134 HB3 HIS 15 HB3 HIS 15 2.230 21.338 -13.567 135 HD1 HIS 15 HD1 HIS 15 2.414 20.275 -10.714 136 HD2 HIS 15 HD2 HIS 15 -0.609 19.219 -13.352 137 HE1 HIS 15 HE1 HIS 15 0.488 19.575 -9.285 138 HE2 HIS 15 HE2 HIS 15 -1.228 18.705 -10.911 139 H GLN 16 H GLN 16 3.932 18.626 -15.965 140 HA GLN 16 HA GLN 16 4.986 20.910 -17.321 141 HB2 GLN 16 HB2 GLN 16 6.500 19.171 -16.523 142 HB3 GLN 16 HB3 GLN 16 5.703 17.967 -17.534 143 HG2 GLN 16 HG2 GLN 16 6.511 19.053 -19.556 144 HG3 GLN 16 HG3 GLN 16 7.198 20.373 -18.615 145 HE21 GLN 16 HE21 GLN 16 7.543 17.004 -19.490 146 HE22 GLN 16 HE22 GLN 16 9.181 16.833 -18.957 147 H LEU 17 H LEU 17 3.115 18.043 -18.431 148 HA LEU 17 HA LEU 17 3.235 18.891 -21.207 149 HB2 LEU 17 HB2 LEU 17 1.722 16.648 -19.843 150 HB3 LEU 17 HB3 LEU 17 1.451 17.045 -21.528 151 HG LEU 17 HG LEU 17 2.912 15.204 -21.544 152 HD11 LEU 17 HD11 LEU 17 4.946 15.985 -22.617 153 HD12 LEU 17 HD12 LEU 17 4.700 17.608 -21.971 154 HD13 LEU 17 HD13 LEU 17 3.564 16.940 -23.146 155 HD21 LEU 17 HD21 LEU 17 4.726 16.574 -19.554 156 HD22 LEU 17 HD22 LEU 17 4.992 14.996 -20.302 157 HD23 LEU 17 HD23 LEU 17 3.632 15.232 -19.211 158 H THR 18 H THR 18 0.959 19.320 -18.552 159 HA THR 18 HA THR 18 -1.175 20.306 -20.272 160 HB THR 18 HB THR 18 -2.327 20.823 -18.066 161 HG1 THR 18 HG1 THR 18 -1.302 19.959 -16.179 162 HG21 THR 18 HG21 THR 18 -1.299 17.974 -18.352 163 HG22 THR 18 HG22 THR 18 -2.710 18.645 -19.171 164 HG23 THR 18 HG23 THR 18 -2.709 18.474 -17.416 165 H GLU 19 H GLU 19 0.795 21.730 -17.629 166 HA GLU 19 HA GLU 19 -0.039 24.445 -18.392 167 HB2 GLU 19 HB2 GLU 19 1.571 23.556 -15.963 168 HB3 GLU 19 HB3 GLU 19 0.782 25.114 -16.193 169 HG2 GLU 19 HG2 GLU 19 -0.592 22.431 -15.837 170 HG3 GLU 19 HG3 GLU 19 -0.466 23.704 -14.626 171 H GLY 20 H GLY 20 2.882 22.492 -18.046 172 HA2 GLY 20 HA2 GLY 20 4.903 22.788 -19.222 173 HA3 GLY 20 HA3 GLY 20 4.494 24.472 -19.499 174 H CYS 21 H CYS 21 5.775 25.806 -18.419 175 HA CYS 21 HA CYS 21 6.191 25.569 -15.562 176 HB2 CYS 21 HB2 CYS 21 8.676 25.648 -15.668 177 HB3 CYS 21 HB3 CYS 21 8.036 24.167 -16.368 178 H GLY 22 H GLY 22 5.173 27.415 -17.818 179 HA2 GLY 22 HA2 GLY 22 4.888 29.708 -17.960 180 HA3 GLY 22 HA3 GLY 22 6.167 29.938 -16.777 181 H ASN 23 H ASN 23 8.334 28.983 -17.702 182 HA ASN 23 HA ASN 23 9.395 30.639 -19.639 183 HB2 ASN 23 HB2 ASN 23 10.740 29.422 -17.975 184 HB3 ASN 23 HB3 ASN 23 10.334 27.887 -18.729 185 HD21 ASN 23 HD21 ASN 23 11.254 30.817 -20.535 186 HD22 ASN 23 HD22 ASN 23 12.755 30.186 -21.107 187 H GLU 24 H GLU 24 8.655 30.770 -21.671 188 HA GLU 24 HA GLU 24 7.806 28.525 -23.273 189 HB2 GLU 24 HB2 GLU 24 7.371 30.105 -25.042 190 HB3 GLU 24 HB3 GLU 24 6.773 30.786 -23.541 191 HG2 GLU 24 HG2 GLU 24 9.410 31.564 -24.814 192 HG3 GLU 24 HG3 GLU 24 7.894 32.401 -25.111 193 H ALA 25 H ALA 25 10.665 30.559 -23.013 194 HA ALA 25 HA ALA 25 12.144 29.242 -25.147 195 HB1 ALA 25 HB1 ALA 25 13.053 31.234 -23.037 196 HB2 ALA 25 HB2 ALA 25 12.498 31.637 -24.663 197 HB3 ALA 25 HB3 ALA 25 13.988 30.717 -24.444 198 H CYS 26 H CYS 26 11.384 27.230 -23.864 199 HA CYS 26 HA CYS 26 13.118 26.482 -21.612 200 HB2 CYS 26 HB2 CYS 26 10.699 26.320 -21.197 201 HB3 CYS 26 HB3 CYS 26 10.486 25.313 -22.619 202 H THR 27 H THR 27 14.507 24.773 -21.781 203 HA THR 27 HA THR 27 15.078 23.711 -24.427 204 HB THR 27 HB THR 27 17.069 22.681 -23.265 205 HG1 THR 27 HG1 THR 27 17.463 23.311 -21.107 206 HG21 THR 27 HG21 THR 27 17.247 24.917 -24.321 207 HG22 THR 27 HG22 THR 27 18.257 24.808 -22.881 208 HG23 THR 27 HG23 THR 27 16.721 25.672 -22.811 209 H ASN 28 H ASN 28 12.657 22.810 -23.872 210 HA ASN 28 HA ASN 28 12.953 19.977 -23.928 211 HB2 ASN 28 HB2 ASN 28 12.771 20.317 -21.460 212 HB3 ASN 28 HB3 ASN 28 11.263 21.199 -21.689 213 HD21 ASN 28 HD21 ASN 28 10.309 19.617 -20.269 214 HD22 ASN 28 HD22 ASN 28 9.885 18.052 -20.848 215 H GLU 29 H GLU 29 11.839 19.594 -25.722 216 HA GLU 29 HA GLU 29 9.703 21.235 -26.710 217 HB2 GLU 29 HB2 GLU 29 9.544 19.526 -28.514 218 HB3 GLU 29 HB3 GLU 29 11.184 20.121 -28.281 219 HG2 GLU 29 HG2 GLU 29 11.751 18.070 -27.012 220 HG3 GLU 29 HG3 GLU 29 10.107 17.477 -27.245 221 H PHE 30 H PHE 30 9.886 18.422 -24.705 222 HA PHE 30 HA PHE 30 7.046 17.730 -24.900 223 HB2 PHE 30 HB2 PHE 30 9.213 16.600 -23.064 224 HB3 PHE 30 HB3 PHE 30 7.630 15.891 -23.375 225 HD1 PHE 30 HD1 PHE 30 7.122 15.092 -25.786 226 HD2 PHE 30 HD2 PHE 30 11.068 16.010 -24.421 227 HE1 PHE 30 HE1 PHE 30 8.079 13.763 -27.622 228 HE2 PHE 30 HE2 PHE 30 12.011 14.676 -26.257 229 HZ PHE 30 HZ PHE 30 10.517 13.552 -27.859 230 H CYS 31 H CYS 31 7.178 20.280 -24.174 231 HA CYS 31 HA CYS 31 6.335 20.422 -21.377 232 HB2 CYS 31 HB2 CYS 31 8.751 20.975 -21.323 233 HB3 CYS 31 HB3 CYS 31 8.525 22.183 -22.572 234 H ALA 32 H ALA 32 4.573 21.742 -21.259 235 HA ALA 32 HA ALA 32 3.487 22.892 -23.648 236 HB1 ALA 32 HB1 ALA 32 1.557 23.457 -22.234 237 HB2 ALA 32 HB2 ALA 32 2.468 23.002 -20.790 238 HB3 ALA 32 HB3 ALA 32 2.057 21.781 -21.992 239 H SER 33 H SER 33 2.643 25.105 -23.712 240 HA SER 33 HA SER 33 2.952 27.319 -23.909 241 HB2 SER 33 HB2 SER 33 2.884 27.403 -21.411 242 HB3 SER 33 HB3 SER 33 4.628 27.169 -21.357 243 HG SER 33 HG SER 33 4.939 29.178 -22.155 244 H CYS 34 H CYS 34 5.339 25.090 -24.409 245 HA CYS 34 HA CYS 34 7.402 26.989 -25.288 246 HB2 CYS 34 HB2 CYS 34 7.388 23.941 -25.400 247 HB3 CYS 34 HB3 CYS 34 8.782 24.990 -25.660 248 HG CYS 34 HG CYS 34 7.159 25.176 -22.687 249 HA PRO 35 HA PRO 35 5.787 27.056 -29.481 250 HB2 PRO 35 HB2 PRO 35 8.025 27.715 -30.921 251 HB3 PRO 35 HB3 PRO 35 7.232 28.861 -29.831 252 HG2 PRO 35 HG2 PRO 35 9.639 27.111 -29.296 253 HG3 PRO 35 HG3 PRO 35 9.429 28.849 -28.980 254 HD2 PRO 35 HD2 PRO 35 9.118 27.007 -27.022 255 HD3 PRO 35 HD3 PRO 35 8.114 28.475 -27.081 256 H THR 36 H THR 36 8.398 24.929 -28.631 257 HA THR 36 HA THR 36 8.413 23.367 -31.081 258 HB THR 36 HB THR 36 10.099 21.981 -29.766 259 HG1 THR 36 HG1 THR 36 10.771 22.878 -27.762 260 HG21 THR 36 HG21 THR 36 11.878 23.687 -29.759 261 HG22 THR 36 HG22 THR 36 10.676 24.975 -29.842 262 HG23 THR 36 HG23 THR 36 10.876 23.863 -31.200 263 H PHE 37 H PHE 37 6.443 23.458 -28.381 264 HA PHE 37 HA PHE 37 5.838 20.617 -28.121 265 HB2 PHE 37 HB2 PHE 37 5.861 22.148 -26.155 266 HB3 PHE 37 HB3 PHE 37 4.572 23.100 -26.874 267 HD1 PHE 37 HD1 PHE 37 5.332 19.621 -25.678 268 HD2 PHE 37 HD2 PHE 37 2.330 22.612 -26.244 269 HE1 PHE 37 HE1 PHE 37 3.708 18.234 -24.469 270 HE2 PHE 37 HE2 PHE 37 0.718 21.214 -25.028 271 HZ PHE 37 HZ PHE 37 1.402 19.023 -24.138 272 H LEU 38 H LEU 38 3.758 19.712 -28.594 273 HA LEU 38 HA LEU 38 1.890 21.350 -30.224 274 HB2 LEU 38 HB2 LEU 38 3.184 19.319 -31.353 275 HB3 LEU 38 HB3 LEU 38 2.016 18.330 -30.502 276 HG LEU 38 HG LEU 38 1.275 20.505 -32.508 277 HD11 LEU 38 HD11 LEU 38 1.407 17.515 -32.980 278 HD12 LEU 38 HD12 LEU 38 2.503 18.726 -33.644 279 HD13 LEU 38 HD13 LEU 38 0.810 18.721 -34.124 280 HD21 LEU 38 HD21 LEU 38 -0.550 20.049 -30.927 281 HD22 LEU 38 HD22 LEU 38 -0.477 18.329 -31.313 282 HD23 LEU 38 HD23 LEU 38 -0.963 19.494 -32.548 283 H ARG 39 H ARG 39 -0.004 21.635 -29.253 284 HA ARG 39 HA ARG 39 -0.569 20.799 -26.634 285 HB2 ARG 39 HB2 ARG 39 -2.358 22.032 -28.767 286 HB3 ARG 39 HB3 ARG 39 -2.917 21.736 -27.124 287 HG2 ARG 39 HG2 ARG 39 -0.569 23.517 -27.853 288 HG3 ARG 39 HG3 ARG 39 -2.204 24.086 -27.513 289 HD2 ARG 39 HD2 ARG 39 -2.037 23.124 -25.221 290 HD3 ARG 39 HD3 ARG 39 -0.378 22.625 -25.570 291 HE ARG 39 HE ARG 39 -0.523 25.356 -26.079 292 HH11 ARG 39 HH11 ARG 39 -0.846 23.274 -23.251 293 HH12 ARG 39 HH12 ARG 39 -0.348 24.512 -22.145 294 HH21 ARG 39 HH21 ARG 39 0.110 26.953 -24.613 295 HH22 ARG 39 HH22 ARG 39 0.183 26.592 -22.918 296 H MET 40 H MET 40 -2.349 19.561 -25.819 297 HA MET 40 HA MET 40 -3.578 17.475 -27.427 298 HB2 MET 40 HB2 MET 40 -2.536 15.604 -26.157 299 HB3 MET 40 HB3 MET 40 -1.317 16.523 -27.027 300 HG2 MET 40 HG2 MET 40 -0.757 17.717 -24.901 301 HG3 MET 40 HG3 MET 40 -1.905 16.678 -24.057 302 HE1 MET 40 HE1 MET 40 1.538 16.901 -25.917 303 HE2 MET 40 HE2 MET 40 0.669 15.779 -26.968 304 HE3 MET 40 HE3 MET 40 2.029 15.208 -26.002 305 H ASP 41 H ASP 41 -4.885 15.994 -25.917 306 HA ASP 41 HA ASP 41 -6.443 17.473 -24.021 307 HB2 ASP 41 HB2 ASP 41 -6.312 14.443 -24.474 308 HB3 ASP 41 HB3 ASP 41 -7.544 15.280 -23.530 309 H ASN 42 H ASN 42 -6.688 16.889 -21.712 310 HA ASN 42 HA ASN 42 -4.172 16.816 -20.359 311 HB2 ASN 42 HB2 ASN 42 -5.432 17.023 -18.297 312 HB3 ASN 42 HB3 ASN 42 -6.181 18.057 -19.506 313 HD21 ASN 42 HD21 ASN 42 -8.200 17.374 -20.448 314 HD22 ASN 42 HD22 ASN 42 -9.229 16.279 -19.601 315 H ASN 43 H ASN 43 -6.477 14.382 -21.272 316 HA ASN 43 HA ASN 43 -5.511 12.249 -19.615 317 HB2 ASN 43 HB2 ASN 43 -7.094 12.172 -22.223 318 HB3 ASN 43 HB3 ASN 43 -6.785 10.778 -21.192 319 HD21 ASN 43 HD21 ASN 43 -8.937 10.369 -20.775 320 HD22 ASN 43 HD22 ASN 43 -9.940 11.409 -19.830 321 H ALA 44 H ALA 44 -4.883 13.347 -22.944 322 HA ALA 44 HA ALA 44 -2.949 11.371 -23.634 323 HB1 ALA 44 HB1 ALA 44 -2.416 12.861 -25.522 324 HB2 ALA 44 HB2 ALA 44 -3.367 14.153 -24.782 325 HB3 ALA 44 HB3 ALA 44 -4.160 12.675 -25.331 326 H ALA 45 H ALA 45 -2.825 14.444 -21.994 327 HA ALA 45 HA ALA 45 0.009 14.786 -21.909 328 HB1 ALA 45 HB1 ALA 45 -2.168 16.009 -20.180 329 HB2 ALA 45 HB2 ALA 45 -1.533 16.683 -21.682 330 HB3 ALA 45 HB3 ALA 45 -0.491 16.553 -20.264 331 H ALA 46 H ALA 46 -2.372 13.130 -19.935 332 HA ALA 46 HA ALA 46 -0.691 12.516 -17.713 333 HB1 ALA 46 HB1 ALA 46 -2.440 10.899 -17.101 334 HB2 ALA 46 HB2 ALA 46 -3.199 11.110 -18.682 335 HB3 ALA 46 HB3 ALA 46 -3.142 12.456 -17.543 336 H ILE 47 H ILE 47 -1.608 10.748 -20.673 337 HA ILE 47 HA ILE 47 -0.082 8.403 -20.283 338 HB ILE 47 HB ILE 47 -0.991 9.786 -22.850 339 HG12 ILE 47 HG12 ILE 47 -2.828 8.915 -21.402 340 HG13 ILE 47 HG13 ILE 47 -2.744 8.041 -22.928 341 HG21 ILE 47 HG21 ILE 47 0.270 7.027 -22.617 342 HG22 ILE 47 HG22 ILE 47 0.942 8.430 -23.447 343 HG23 ILE 47 HG23 ILE 47 -0.519 7.663 -24.065 344 HD11 ILE 47 HD11 ILE 47 -1.700 7.058 -20.264 345 HD12 ILE 47 HD12 ILE 47 -1.602 6.181 -21.793 346 HD13 ILE 47 HD13 ILE 47 -3.173 6.531 -21.079 347 H LYS 48 H LYS 48 0.696 11.500 -21.837 348 HA LYS 48 HA LYS 48 3.308 10.738 -22.701 349 HB2 LYS 48 HB2 LYS 48 1.788 12.566 -23.690 350 HB3 LYS 48 HB3 LYS 48 2.300 13.586 -22.354 351 HG2 LYS 48 HG2 LYS 48 3.573 14.063 -24.403 352 HG3 LYS 48 HG3 LYS 48 4.624 13.472 -23.111 353 HD2 LYS 48 HD2 LYS 48 4.756 11.266 -24.134 354 HD3 LYS 48 HD3 LYS 48 3.530 11.696 -25.330 355 HE2 LYS 48 HE2 LYS 48 6.246 13.032 -25.118 356 HE3 LYS 48 HE3 LYS 48 5.874 11.702 -26.215 357 HZ1 LYS 48 HZ1 LYS 48 4.240 13.068 -27.303 358 HZ2 LYS 48 HZ2 LYS 48 5.733 13.855 -27.304 359 HZ3 LYS 48 HZ3 LYS 48 4.519 14.341 -26.228 360 H ALA 49 H ALA 49 2.009 12.203 -19.780 361 HA ALA 49 HA ALA 49 4.383 12.990 -18.485 362 HB1 ALA 49 HB1 ALA 49 1.841 11.903 -17.230 363 HB2 ALA 49 HB2 ALA 49 2.144 13.591 -17.643 364 HB3 ALA 49 HB3 ALA 49 3.107 12.801 -16.391 365 H LEU 50 H LEU 50 2.648 9.884 -18.523 366 HA LEU 50 HA LEU 50 4.504 8.480 -16.887 367 HB2 LEU 50 HB2 LEU 50 2.181 7.671 -18.610 368 HB3 LEU 50 HB3 LEU 50 3.319 6.416 -18.166 369 HG LEU 50 HG LEU 50 1.450 6.371 -16.635 370 HD11 LEU 50 HD11 LEU 50 3.647 5.800 -15.712 371 HD12 LEU 50 HD12 LEU 50 2.602 6.514 -14.492 372 HD13 LEU 50 HD13 LEU 50 3.893 7.478 -15.212 373 HD21 LEU 50 HD21 LEU 50 0.869 8.228 -15.145 374 HD22 LEU 50 HD22 LEU 50 0.654 8.663 -16.837 375 HD23 LEU 50 HD23 LEU 50 2.057 9.259 -15.949 376 H GLU 51 H GLU 51 4.368 9.044 -20.375 377 HA GLU 51 HA GLU 51 6.362 7.174 -21.164 378 HB2 GLU 51 HB2 GLU 51 5.550 9.824 -22.422 379 HB3 GLU 51 HB3 GLU 51 6.643 8.676 -23.187 380 HG2 GLU 51 HG2 GLU 51 3.764 8.107 -22.454 381 HG3 GLU 51 HG3 GLU 51 4.319 8.570 -24.057 382 H LEU 52 H LEU 52 6.534 10.624 -20.327 383 HA LEU 52 HA LEU 52 9.367 10.840 -20.529 384 HB2 LEU 52 HB2 LEU 52 7.440 12.615 -19.006 385 HB3 LEU 52 HB3 LEU 52 9.104 13.008 -19.412 386 HG LEU 52 HG LEU 52 6.772 12.735 -21.336 387 HD11 LEU 52 HD11 LEU 52 7.167 15.094 -21.796 388 HD12 LEU 52 HD12 LEU 52 8.500 15.118 -20.640 389 HD13 LEU 52 HD13 LEU 52 6.850 14.834 -20.082 390 HD21 LEU 52 HD21 LEU 52 8.740 11.770 -22.436 391 HD22 LEU 52 HD22 LEU 52 9.688 13.208 -22.051 392 HD23 LEU 52 HD23 LEU 52 8.323 13.320 -23.164 393 H TYR 53 H TYR 53 7.199 9.850 -18.003 394 HA TYR 53 HA TYR 53 8.980 10.078 -15.799 395 HB2 TYR 53 HB2 TYR 53 6.595 9.987 -15.380 396 HB3 TYR 53 HB3 TYR 53 6.449 8.443 -16.208 397 HD1 TYR 53 HD1 TYR 53 7.889 10.062 -13.153 398 HD2 TYR 53 HD2 TYR 53 6.720 6.388 -15.005 399 HE1 TYR 53 HE1 TYR 53 8.235 8.869 -11.027 400 HE2 TYR 53 HE2 TYR 53 7.061 5.216 -12.888 401 HH TYR 53 HH TYR 53 8.460 5.547 -10.799 402 H LYS 54 H LYS 54 8.122 7.349 -17.952 403 HA LYS 54 HA LYS 54 9.647 5.408 -16.516 404 HB2 LYS 54 HB2 LYS 54 9.152 3.860 -18.354 405 HB3 LYS 54 HB3 LYS 54 7.705 4.729 -17.860 406 HG2 LYS 54 HG2 LYS 54 7.971 6.228 -19.831 407 HG3 LYS 54 HG3 LYS 54 9.374 5.288 -20.329 408 HD2 LYS 54 HD2 LYS 54 7.539 4.525 -21.664 409 HD3 LYS 54 HD3 LYS 54 7.852 3.258 -20.480 410 HE2 LYS 54 HE2 LYS 54 5.681 5.351 -20.149 411 HE3 LYS 54 HE3 LYS 54 5.406 3.785 -20.904 412 HZ1 LYS 54 HZ1 LYS 54 6.203 4.304 -18.095 413 HZ2 LYS 54 HZ2 LYS 54 6.166 2.763 -18.791 414 HZ3 LYS 54 HZ3 LYS 54 4.742 3.660 -18.651 415 H ILE 55 H ILE 55 10.322 7.452 -19.328 416 HA ILE 55 HA ILE 55 12.953 6.278 -19.783 417 HB ILE 55 HB ILE 55 13.221 7.902 -21.582 418 HG12 ILE 55 HG12 ILE 55 10.659 9.206 -20.556 419 HG13 ILE 55 HG13 ILE 55 12.260 9.930 -20.567 420 HG21 ILE 55 HG21 ILE 55 11.331 7.258 -23.038 421 HG22 ILE 55 HG22 ILE 55 10.385 6.777 -21.629 422 HG23 ILE 55 HG23 ILE 55 11.853 5.888 -22.055 423 HD11 ILE 55 HD11 ILE 55 10.538 9.285 -22.961 424 HD12 ILE 55 HD12 ILE 55 12.197 9.892 -23.053 425 HD13 ILE 55 HD13 ILE 55 10.936 10.879 -22.316 426 H ASN 56 H ASN 56 11.625 8.635 -17.721 427 HA ASN 56 HA ASN 56 12.344 10.268 -16.367 428 HB2 ASN 56 HB2 ASN 56 13.749 8.384 -15.468 429 HB3 ASN 56 HB3 ASN 56 15.070 8.903 -16.508 430 HD21 ASN 56 HD21 ASN 56 16.180 10.849 -15.980 431 HD22 ASN 56 HD22 ASN 56 16.024 11.596 -14.430 432 H ALA 57 H ALA 57 11.919 11.555 -18.270 433 HA ALA 57 HA ALA 57 14.089 12.562 -19.905 434 HB1 ALA 57 HB1 ALA 57 12.289 13.714 -21.128 435 HB2 ALA 57 HB2 ALA 57 11.122 13.231 -19.893 436 HB3 ALA 57 HB3 ALA 57 11.899 12.010 -20.901 437 H LYS 58 H LYS 58 13.544 15.098 -20.426 438 HA LYS 58 HA LYS 58 14.480 16.709 -18.331 439 HB2 LYS 58 HB2 LYS 58 12.915 17.424 -20.842 440 HB3 LYS 58 HB3 LYS 58 13.652 18.622 -19.790 441 HG2 LYS 58 HG2 LYS 58 15.201 16.453 -21.217 442 HG3 LYS 58 HG3 LYS 58 14.945 18.076 -21.867 443 HD2 LYS 58 HD2 LYS 58 16.374 17.400 -19.262 444 HD3 LYS 58 HD3 LYS 58 17.165 17.847 -20.774 445 HE2 LYS 58 HE2 LYS 58 16.144 20.082 -20.679 446 HE3 LYS 58 HE3 LYS 58 15.255 19.640 -19.222 447 HZ1 LYS 58 HZ1 LYS 58 18.206 19.870 -19.476 448 HZ2 LYS 58 HZ2 LYS 58 17.398 19.337 -18.091 449 HZ3 LYS 58 HZ3 LYS 58 17.178 20.924 -18.643 450 H LEU 59 H LEU 59 13.309 16.601 -16.456 451 HA LEU 59 HA LEU 59 10.501 17.495 -16.474 452 HB2 LEU 59 HB2 LEU 59 11.021 15.536 -15.067 453 HB3 LEU 59 HB3 LEU 59 12.245 16.449 -14.202 454 HG LEU 59 HG LEU 59 10.503 17.935 -13.260 455 HD11 LEU 59 HD11 LEU 59 8.127 17.482 -13.577 456 HD12 LEU 59 HD12 LEU 59 8.497 16.180 -14.707 457 HD13 LEU 59 HD13 LEU 59 8.890 17.853 -15.122 458 HD21 LEU 59 HD21 LEU 59 9.432 16.321 -11.754 459 HD22 LEU 59 HD22 LEU 59 11.124 15.908 -12.003 460 HD23 LEU 59 HD23 LEU 59 9.863 14.992 -12.834 461 H CYS 60 H CYS 60 10.031 19.559 -16.051 462 HA CYS 60 HA CYS 60 12.091 21.496 -15.436 463 HB2 CYS 60 HB2 CYS 60 9.096 21.892 -15.817 464 HB3 CYS 60 HB3 CYS 60 10.327 23.158 -15.833 465 H ASP 61 H ASP 61 12.652 20.634 -13.419 466 HA ASP 61 HA ASP 61 10.814 21.064 -11.138 467 HB2 ASP 61 HB2 ASP 61 11.229 18.663 -11.599 468 HB3 ASP 61 HB3 ASP 61 12.963 18.934 -11.578 469 HA PRO 62 HA PRO 62 14.064 23.932 -9.887 470 HB2 PRO 62 HB2 PRO 62 13.021 23.814 -7.104 471 HB3 PRO 62 HB3 PRO 62 13.028 25.172 -8.234 472 HG2 PRO 62 HG2 PRO 62 10.732 23.900 -7.564 473 HG3 PRO 62 HG3 PRO 62 10.995 24.567 -9.191 474 HD2 PRO 62 HD2 PRO 62 11.281 21.706 -8.251 475 HD3 PRO 62 HD3 PRO 62 10.481 22.332 -9.713 476 H HIS 63 H HIS 63 16.016 22.994 -9.874 477 HA HIS 63 HA HIS 63 16.748 21.026 -7.780 478 HB2 HIS 63 HB2 HIS 63 16.861 20.190 -10.125 479 HB3 HIS 63 HB3 HIS 63 17.976 21.486 -10.533 480 HD1 HIS 63 HD1 HIS 63 20.414 21.306 -9.558 481 HD2 HIS 63 HD2 HIS 63 18.010 17.986 -8.854 482 HE1 HIS 63 HE1 HIS 63 21.977 19.482 -8.842 483 HE2 HIS 63 HE2 HIS 63 20.476 17.564 -8.218 484 HA PRO 64 HA PRO 64 19.267 24.656 -6.326 485 HB2 PRO 64 HB2 PRO 64 19.633 22.684 -4.077 486 HB3 PRO 64 HB3 PRO 64 19.266 24.414 -4.007 487 HG2 PRO 64 HG2 PRO 64 17.344 22.626 -3.529 488 HG3 PRO 64 HG3 PRO 64 16.988 24.081 -4.489 489 HD2 PRO 64 HD2 PRO 64 17.498 21.257 -5.438 490 HD3 PRO 64 HD3 PRO 64 16.265 22.423 -5.982 Start of MODEL 12 1 H MET 1 H MET 1 4.154 -0.879 -4.024 2 HA MET 1 HA MET 1 6.119 0.446 -4.344 3 HB2 MET 1 HB2 MET 1 6.589 -0.237 -6.678 4 HB3 MET 1 HB3 MET 1 5.743 -1.500 -5.801 5 HG2 MET 1 HG2 MET 1 4.788 -1.473 -7.954 6 HG3 MET 1 HG3 MET 1 3.611 -0.668 -6.913 7 HE1 MET 1 HE1 MET 1 3.220 -0.361 -9.969 8 HE2 MET 1 HE2 MET 1 3.020 1.383 -10.147 9 HE3 MET 1 HE3 MET 1 2.275 0.546 -8.787 10 H LYS 2 H LYS 2 3.234 1.751 -5.965 11 HA LYS 2 HA LYS 2 4.568 4.116 -6.946 12 HB2 LYS 2 HB2 LYS 2 2.512 3.198 -8.052 13 HB3 LYS 2 HB3 LYS 2 1.570 3.601 -6.622 14 HG2 LYS 2 HG2 LYS 2 2.015 5.995 -6.956 15 HG3 LYS 2 HG3 LYS 2 3.053 5.634 -8.336 16 HD2 LYS 2 HD2 LYS 2 0.060 5.078 -8.174 17 HD3 LYS 2 HD3 LYS 2 0.811 6.418 -9.045 18 HE2 LYS 2 HE2 LYS 2 1.976 4.795 -10.515 19 HE3 LYS 2 HE3 LYS 2 1.188 3.461 -9.670 20 HZ1 LYS 2 HZ1 LYS 2 -0.170 5.593 -11.224 21 HZ2 LYS 2 HZ2 LYS 2 -0.952 4.345 -10.405 22 HZ3 LYS 2 HZ3 LYS 2 0.046 3.995 -11.716 23 H ARG 3 H ARG 3 5.604 4.893 -5.180 24 HA ARG 3 HA ARG 3 4.379 5.527 -2.659 25 HB2 ARG 3 HB2 ARG 3 7.050 6.405 -3.861 26 HB3 ARG 3 HB3 ARG 3 6.591 6.562 -2.165 27 HG2 ARG 3 HG2 ARG 3 6.531 4.152 -1.887 28 HG3 ARG 3 HG3 ARG 3 6.786 3.897 -3.613 29 HD2 ARG 3 HD2 ARG 3 9.050 4.862 -3.416 30 HD3 ARG 3 HD3 ARG 3 8.778 5.142 -1.690 31 HE ARG 3 HE ARG 3 8.290 2.457 -2.079 32 HH11 ARG 3 HH11 ARG 3 11.074 4.536 -2.593 33 HH12 ARG 3 HH12 ARG 3 12.215 3.277 -2.261 34 HH21 ARG 3 HH21 ARG 3 9.803 0.829 -1.642 35 HH22 ARG 3 HH22 ARG 3 11.501 1.184 -1.718 36 H ALA 4 H ALA 4 4.553 7.847 -1.807 37 HA ALA 4 HA ALA 4 2.775 9.517 -3.146 38 HB1 ALA 4 HB1 ALA 4 3.174 9.639 -0.717 39 HB2 ALA 4 HB2 ALA 4 3.329 11.229 -1.466 40 HB3 ALA 4 HB3 ALA 4 4.775 10.326 -1.005 41 H ALA 5 H ALA 5 6.318 9.800 -2.890 42 HA ALA 5 HA ALA 5 6.606 12.126 -4.505 43 HB1 ALA 5 HB1 ALA 5 8.683 10.040 -3.785 44 HB2 ALA 5 HB2 ALA 5 8.280 11.468 -2.834 45 HB3 ALA 5 HB3 ALA 5 9.008 11.649 -4.431 46 H ALA 6 H ALA 6 6.636 8.665 -5.222 47 HA ALA 6 HA ALA 6 7.642 8.713 -7.865 48 HB1 ALA 6 HB1 ALA 6 7.394 6.622 -6.568 49 HB2 ALA 6 HB2 ALA 6 6.575 6.505 -8.127 50 HB3 ALA 6 HB3 ALA 6 5.635 6.767 -6.654 51 H LYS 7 H LYS 7 4.336 8.939 -6.580 52 HA LYS 7 HA LYS 7 3.061 9.295 -9.138 53 HB2 LYS 7 HB2 LYS 7 1.972 8.272 -7.094 54 HB3 LYS 7 HB3 LYS 7 1.925 9.878 -6.369 55 HG2 LYS 7 HG2 LYS 7 0.480 10.659 -8.250 56 HG3 LYS 7 HG3 LYS 7 0.518 9.038 -8.940 57 HD2 LYS 7 HD2 LYS 7 -1.584 9.368 -7.730 58 HD3 LYS 7 HD3 LYS 7 -0.610 8.154 -6.901 59 HE2 LYS 7 HE2 LYS 7 0.099 9.841 -5.248 60 HE3 LYS 7 HE3 LYS 7 -0.843 11.074 -6.088 61 HZ1 LYS 7 HZ1 LYS 7 -1.977 8.623 -4.858 62 HZ2 LYS 7 HZ2 LYS 7 -2.849 9.892 -5.557 63 HZ3 LYS 7 HZ3 LYS 7 -1.974 10.149 -4.133 64 H HIS 8 H HIS 8 4.404 11.430 -6.680 65 HA HIS 8 HA HIS 8 3.325 13.897 -7.597 66 HB2 HIS 8 HB2 HIS 8 5.924 13.353 -6.104 67 HB3 HIS 8 HB3 HIS 8 5.341 14.974 -6.474 68 HD1 HIS 8 HD1 HIS 8 5.797 13.794 -3.566 69 HD2 HIS 8 HD2 HIS 8 2.149 14.163 -5.516 70 HE1 HIS 8 HE1 HIS 8 4.062 13.843 -1.759 71 HE2 HIS 8 HE2 HIS 8 1.862 13.979 -2.967 72 H LEU 9 H LEU 9 6.091 11.966 -8.555 73 HA LEU 9 HA LEU 9 7.287 13.901 -10.294 74 HB2 LEU 9 HB2 LEU 9 8.010 11.348 -9.204 75 HB3 LEU 9 HB3 LEU 9 8.065 11.162 -10.941 76 HG LEU 9 HG LEU 9 10.276 11.741 -10.010 77 HD11 LEU 9 HD11 LEU 9 10.857 13.576 -11.523 78 HD12 LEU 9 HD12 LEU 9 9.148 13.959 -11.745 79 HD13 LEU 9 HD13 LEU 9 9.791 12.414 -12.309 80 HD21 LEU 9 HD21 LEU 9 8.993 14.345 -9.116 81 HD22 LEU 9 HD22 LEU 9 10.703 13.925 -8.996 82 HD23 LEU 9 HD23 LEU 9 9.513 13.025 -8.061 83 H ILE 10 H ILE 10 5.170 11.085 -10.762 84 HA ILE 10 HA ILE 10 4.701 11.223 -13.526 85 HB ILE 10 HB ILE 10 2.770 10.526 -11.256 86 HG12 ILE 10 HG12 ILE 10 4.337 8.645 -13.087 87 HG13 ILE 10 HG13 ILE 10 4.841 9.091 -11.462 88 HG21 ILE 10 HG21 ILE 10 1.366 9.355 -12.940 89 HG22 ILE 10 HG22 ILE 10 2.397 9.975 -14.232 90 HG23 ILE 10 HG23 ILE 10 1.446 11.090 -13.249 91 HD11 ILE 10 HD11 ILE 10 2.836 8.023 -10.545 92 HD12 ILE 10 HD12 ILE 10 3.815 6.903 -11.491 93 HD13 ILE 10 HD13 ILE 10 2.335 7.570 -12.178 94 H GLU 11 H GLU 11 3.277 12.983 -10.820 95 HA GLU 11 HA GLU 11 1.347 14.503 -12.253 96 HB2 GLU 11 HB2 GLU 11 1.209 13.928 -9.796 97 HB3 GLU 11 HB3 GLU 11 2.558 15.014 -9.501 98 HG2 GLU 11 HG2 GLU 11 0.539 16.147 -8.894 99 HG3 GLU 11 HG3 GLU 11 1.169 16.912 -10.351 100 H ARG 12 H ARG 12 4.747 15.007 -11.434 101 HA ARG 12 HA ARG 12 4.920 17.794 -11.998 102 HB2 ARG 12 HB2 ARG 12 7.025 15.585 -11.980 103 HB3 ARG 12 HB3 ARG 12 7.441 17.247 -12.373 104 HG2 ARG 12 HG2 ARG 12 6.220 16.343 -9.747 105 HG3 ARG 12 HG3 ARG 12 7.936 16.655 -10.013 106 HD2 ARG 12 HD2 ARG 12 7.470 19.009 -10.483 107 HD3 ARG 12 HD3 ARG 12 5.732 18.716 -10.351 108 HE ARG 12 HE ARG 12 6.185 18.078 -7.981 109 HH11 ARG 12 HH11 ARG 12 8.487 20.197 -9.559 110 HH12 ARG 12 HH12 ARG 12 8.824 21.099 -8.119 111 HH21 ARG 12 HH21 ARG 12 6.655 19.248 -6.092 112 HH22 ARG 12 HH22 ARG 12 7.789 20.560 -6.152 113 H TYR 13 H TYR 13 5.441 14.884 -13.959 114 HA TYR 13 HA TYR 13 6.025 16.269 -16.387 115 HB2 TYR 13 HB2 TYR 13 5.259 13.396 -15.790 116 HB3 TYR 13 HB3 TYR 13 5.438 13.962 -17.447 117 HD1 TYR 13 HD1 TYR 13 7.704 15.042 -18.126 118 HD2 TYR 13 HD2 TYR 13 7.238 12.704 -14.573 119 HE1 TYR 13 HE1 TYR 13 10.133 14.653 -18.051 120 HE2 TYR 13 HE2 TYR 13 9.657 12.315 -14.515 121 HH TYR 13 HH TYR 13 11.854 14.029 -16.521 122 H TYR 14 H TYR 14 3.030 14.906 -15.041 123 HA TYR 14 HA TYR 14 1.306 15.353 -17.216 124 HB2 TYR 14 HB2 TYR 14 0.675 13.970 -15.237 125 HB3 TYR 14 HB3 TYR 14 0.644 15.413 -14.231 126 HD1 TYR 14 HD1 TYR 14 -1.032 13.765 -17.137 127 HD2 TYR 14 HD2 TYR 14 -1.359 16.774 -14.119 128 HE1 TYR 14 HE1 TYR 14 -3.392 14.093 -17.710 129 HE2 TYR 14 HE2 TYR 14 -3.718 17.099 -14.694 130 HH TYR 14 HH TYR 14 -5.444 14.923 -16.600 131 H HIS 15 H HIS 15 2.141 17.370 -14.470 132 HA HIS 15 HA HIS 15 0.611 19.681 -15.095 133 HB2 HIS 15 HB2 HIS 15 1.543 19.057 -12.829 134 HB3 HIS 15 HB3 HIS 15 3.154 19.459 -13.402 135 HD1 HIS 15 HD1 HIS 15 -0.082 20.997 -12.321 136 HD2 HIS 15 HD2 HIS 15 3.711 22.230 -13.464 137 HE1 HIS 15 HE1 HIS 15 0.097 23.380 -11.579 138 HE2 HIS 15 HE2 HIS 15 2.420 24.081 -12.217 139 H GLN 16 H GLN 16 3.751 18.492 -16.089 140 HA GLN 16 HA GLN 16 4.677 20.952 -17.245 141 HB2 GLN 16 HB2 GLN 16 6.290 19.283 -16.498 142 HB3 GLN 16 HB3 GLN 16 5.612 18.080 -17.590 143 HG2 GLN 16 HG2 GLN 16 6.419 19.264 -19.519 144 HG3 GLN 16 HG3 GLN 16 6.916 20.641 -18.540 145 HE21 GLN 16 HE21 GLN 16 7.656 17.325 -19.410 146 HE22 GLN 16 HE22 GLN 16 9.283 17.329 -18.823 147 H LEU 17 H LEU 17 2.909 18.096 -18.519 148 HA LEU 17 HA LEU 17 2.989 19.021 -21.255 149 HB2 LEU 17 HB2 LEU 17 1.472 16.780 -19.882 150 HB3 LEU 17 HB3 LEU 17 1.034 17.256 -21.506 151 HG LEU 17 HG LEU 17 2.409 15.416 -21.876 152 HD11 LEU 17 HD11 LEU 17 3.127 17.279 -23.281 153 HD12 LEU 17 HD12 LEU 17 4.455 16.175 -22.944 154 HD13 LEU 17 HD13 LEU 17 4.360 17.718 -22.093 155 HD21 LEU 17 HD21 LEU 17 3.217 15.063 -19.605 156 HD22 LEU 17 HD22 LEU 17 4.387 16.371 -19.794 157 HD23 LEU 17 HD23 LEU 17 4.528 14.906 -20.771 158 H THR 18 H THR 18 0.892 19.647 -18.523 159 HA THR 18 HA THR 18 -1.257 20.735 -20.219 160 HB THR 18 HB THR 18 -2.450 21.103 -18.012 161 HG1 THR 18 HG1 THR 18 -0.626 19.453 -16.692 162 HG21 THR 18 HG21 THR 18 -2.892 18.717 -17.547 163 HG22 THR 18 HG22 THR 18 -1.464 18.257 -18.476 164 HG23 THR 18 HG23 THR 18 -2.841 19.015 -19.284 165 H GLU 19 H GLU 19 0.754 21.904 -17.481 166 HA GLU 19 HA GLU 19 0.090 24.694 -18.070 167 HB2 GLU 19 HB2 GLU 19 1.823 23.584 -15.823 168 HB3 GLU 19 HB3 GLU 19 1.137 25.203 -15.919 169 HG2 GLU 19 HG2 GLU 19 -0.384 22.608 -15.547 170 HG3 GLU 19 HG3 GLU 19 -0.089 23.834 -14.316 171 H GLY 20 H GLY 20 3.089 22.876 -17.366 172 HA2 GLY 20 HA2 GLY 20 4.915 22.925 -19.037 173 HA3 GLY 20 HA3 GLY 20 4.629 24.654 -19.186 174 H CYS 21 H CYS 21 5.962 25.924 -18.037 175 HA CYS 21 HA CYS 21 6.795 25.265 -15.318 176 HB2 CYS 21 HB2 CYS 21 9.257 25.481 -15.854 177 HB3 CYS 21 HB3 CYS 21 8.496 24.045 -16.530 178 H GLY 22 H GLY 22 5.935 27.594 -17.549 179 HA2 GLY 22 HA2 GLY 22 5.549 29.836 -17.172 180 HA3 GLY 22 HA3 GLY 22 6.530 29.766 -15.725 181 H ASN 23 H ASN 23 8.891 28.669 -17.063 182 HA ASN 23 HA ASN 23 10.263 30.962 -17.824 183 HB2 ASN 23 HB2 ASN 23 11.390 28.903 -17.018 184 HB3 ASN 23 HB3 ASN 23 10.925 28.054 -18.488 185 HD21 ASN 23 HD21 ASN 23 13.063 27.601 -19.055 186 HD22 ASN 23 HD22 ASN 23 14.164 28.813 -19.599 187 H GLU 24 H GLU 24 10.471 32.053 -19.692 188 HA GLU 24 HA GLU 24 8.674 31.747 -21.826 189 HB2 GLU 24 HB2 GLU 24 9.550 33.938 -21.229 190 HB3 GLU 24 HB3 GLU 24 11.203 33.426 -21.535 191 HG2 GLU 24 HG2 GLU 24 10.393 34.890 -23.318 192 HG3 GLU 24 HG3 GLU 24 10.748 33.281 -23.940 193 H ALA 25 H ALA 25 12.256 31.666 -22.160 194 HA ALA 25 HA ALA 25 12.049 30.103 -24.601 195 HB1 ALA 25 HB1 ALA 25 14.477 30.396 -24.766 196 HB2 ALA 25 HB2 ALA 25 14.515 31.119 -23.156 197 HB3 ALA 25 HB3 ALA 25 13.674 31.940 -24.470 198 H CYS 26 H CYS 26 11.090 28.249 -23.677 199 HA CYS 26 HA CYS 26 12.954 26.454 -22.234 200 HB2 CYS 26 HB2 CYS 26 10.866 26.728 -21.011 201 HB3 CYS 26 HB3 CYS 26 9.916 26.376 -22.459 202 H THR 27 H THR 27 14.060 25.267 -23.682 203 HA THR 27 HA THR 27 12.897 24.538 -26.271 204 HB THR 27 HB THR 27 15.119 25.508 -26.331 205 HG1 THR 27 HG1 THR 27 14.837 22.806 -27.076 206 HG21 THR 27 HG21 THR 27 16.089 23.206 -24.593 207 HG22 THR 27 HG22 THR 27 15.971 24.898 -24.101 208 HG23 THR 27 HG23 THR 27 17.111 24.421 -25.361 209 H ASN 28 H ASN 28 11.386 23.207 -24.723 210 HA ASN 28 HA ASN 28 12.278 20.412 -24.914 211 HB2 ASN 28 HB2 ASN 28 12.563 21.075 -22.537 212 HB3 ASN 28 HB3 ASN 28 10.875 21.578 -22.467 213 HD21 ASN 28 HD21 ASN 28 10.551 20.077 -20.755 214 HD22 ASN 28 HD22 ASN 28 10.406 18.385 -21.054 215 H GLU 29 H GLU 29 11.012 19.737 -26.464 216 HA GLU 29 HA GLU 29 8.375 20.489 -27.121 217 HB2 GLU 29 HB2 GLU 29 8.328 18.459 -28.552 218 HB3 GLU 29 HB3 GLU 29 9.772 19.425 -28.801 219 HG2 GLU 29 HG2 GLU 29 9.753 16.934 -27.060 220 HG3 GLU 29 HG3 GLU 29 10.057 16.888 -28.792 221 H PHE 30 H PHE 30 9.559 18.326 -24.709 222 HA PHE 30 HA PHE 30 7.026 16.939 -24.235 223 HB2 PHE 30 HB2 PHE 30 9.636 16.900 -22.648 224 HB3 PHE 30 HB3 PHE 30 8.286 15.790 -22.443 225 HD1 PHE 30 HD1 PHE 30 7.537 14.599 -24.792 226 HD2 PHE 30 HD2 PHE 30 11.459 16.061 -23.864 227 HE1 PHE 30 HE1 PHE 30 8.520 13.073 -26.463 228 HE2 PHE 30 HE2 PHE 30 12.420 14.537 -25.536 229 HZ PHE 30 HZ PHE 30 10.955 13.036 -26.834 230 H CYS 31 H CYS 31 7.164 19.930 -23.928 231 HA CYS 31 HA CYS 31 6.252 20.244 -21.156 232 HB2 CYS 31 HB2 CYS 31 8.734 20.649 -21.175 233 HB3 CYS 31 HB3 CYS 31 8.497 21.922 -22.351 234 H ALA 32 H ALA 32 4.751 21.921 -20.973 235 HA ALA 32 HA ALA 32 3.627 22.904 -23.459 236 HB1 ALA 32 HB1 ALA 32 2.135 21.941 -21.755 237 HB2 ALA 32 HB2 ALA 32 1.724 23.628 -22.072 238 HB3 ALA 32 HB3 ALA 32 2.613 23.195 -20.610 239 H SER 33 H SER 33 2.968 25.124 -23.719 240 HA SER 33 HA SER 33 3.397 27.299 -24.049 241 HB2 SER 33 HB2 SER 33 3.138 27.526 -21.562 242 HB3 SER 33 HB3 SER 33 4.873 27.285 -21.378 243 HG SER 33 HG SER 33 5.137 29.185 -22.698 244 H CYS 34 H CYS 34 5.646 24.976 -24.314 245 HA CYS 34 HA CYS 34 7.973 26.613 -24.943 246 HB2 CYS 34 HB2 CYS 34 7.489 23.620 -25.249 247 HB3 CYS 34 HB3 CYS 34 9.049 24.439 -25.368 248 HG CYS 34 HG CYS 34 7.180 24.600 -22.524 249 HA PRO 35 HA PRO 35 6.973 27.295 -29.220 250 HB2 PRO 35 HB2 PRO 35 9.433 27.213 -30.457 251 HB3 PRO 35 HB3 PRO 35 8.926 28.537 -29.399 252 HG2 PRO 35 HG2 PRO 35 10.610 26.120 -28.715 253 HG3 PRO 35 HG3 PRO 35 10.918 27.837 -28.349 254 HD2 PRO 35 HD2 PRO 35 9.870 26.196 -26.493 255 HD3 PRO 35 HD3 PRO 35 9.319 27.881 -26.625 256 H THR 36 H THR 36 8.932 24.455 -28.529 257 HA THR 36 HA THR 36 8.352 23.123 -31.056 258 HB THR 36 HB THR 36 9.833 21.309 -29.999 259 HG1 THR 36 HG1 THR 36 10.792 21.761 -28.069 260 HG21 THR 36 HG21 THR 36 11.025 24.104 -30.201 261 HG22 THR 36 HG22 THR 36 10.768 23.001 -31.556 262 HG23 THR 36 HG23 THR 36 11.924 22.589 -30.286 263 H PHE 37 H PHE 37 6.505 23.542 -28.417 264 HA PHE 37 HA PHE 37 5.578 20.775 -28.053 265 HB2 PHE 37 HB2 PHE 37 5.930 22.093 -26.026 266 HB3 PHE 37 HB3 PHE 37 4.879 23.367 -26.621 267 HD1 PHE 37 HD1 PHE 37 4.873 19.770 -25.571 268 HD2 PHE 37 HD2 PHE 37 2.542 23.321 -26.119 269 HE1 PHE 37 HE1 PHE 37 2.969 18.709 -24.430 270 HE2 PHE 37 HE2 PHE 37 0.653 22.249 -24.978 271 HZ PHE 37 HZ PHE 37 0.863 19.949 -24.127 272 H LEU 38 H LEU 38 3.906 20.028 -29.247 273 HA LEU 38 HA LEU 38 1.791 21.851 -30.224 274 HB2 LEU 38 HB2 LEU 38 2.685 20.043 -31.743 275 HB3 LEU 38 HB3 LEU 38 2.103 18.839 -30.602 276 HG LEU 38 HG LEU 38 -0.249 19.812 -30.958 277 HD11 LEU 38 HD11 LEU 38 -0.678 21.085 -33.012 278 HD12 LEU 38 HD12 LEU 38 1.054 21.174 -33.339 279 HD13 LEU 38 HD13 LEU 38 0.378 21.978 -31.919 280 HD21 LEU 38 HD21 LEU 38 1.099 18.482 -33.331 281 HD22 LEU 38 HD22 LEU 38 -0.641 18.566 -33.049 282 HD23 LEU 38 HD23 LEU 38 0.385 17.668 -31.935 283 H ARG 39 H ARG 39 -0.319 21.756 -29.357 284 HA ARG 39 HA ARG 39 -0.476 20.950 -26.616 285 HB2 ARG 39 HB2 ARG 39 -2.476 22.266 -28.478 286 HB3 ARG 39 HB3 ARG 39 -2.969 21.718 -26.882 287 HG2 ARG 39 HG2 ARG 39 -2.465 24.086 -26.809 288 HG3 ARG 39 HG3 ARG 39 -1.280 23.206 -25.847 289 HD2 ARG 39 HD2 ARG 39 -0.229 24.991 -27.183 290 HD3 ARG 39 HD3 ARG 39 0.362 23.388 -27.651 291 HE ARG 39 HE ARG 39 -1.874 24.421 -29.210 292 HH11 ARG 39 HH11 ARG 39 1.652 24.120 -29.103 293 HH12 ARG 39 HH12 ARG 39 1.818 24.396 -30.805 294 HH21 ARG 39 HH21 ARG 39 -1.604 24.735 -31.406 295 HH22 ARG 39 HH22 ARG 39 -0.019 24.736 -32.102 296 H MET 40 H MET 40 -2.124 19.663 -25.684 297 HA MET 40 HA MET 40 -3.123 17.341 -27.105 298 HB2 MET 40 HB2 MET 40 -1.653 15.791 -25.658 299 HB3 MET 40 HB3 MET 40 -0.818 16.635 -26.957 300 HG2 MET 40 HG2 MET 40 -0.105 18.366 -25.241 301 HG3 MET 40 HG3 MET 40 -0.729 17.274 -23.999 302 HE1 MET 40 HE1 MET 40 0.353 14.794 -23.545 303 HE2 MET 40 HE2 MET 40 1.627 14.131 -24.570 304 HE3 MET 40 HE3 MET 40 0.023 14.426 -25.239 305 H ASP 41 H ASP 41 -4.529 16.100 -25.766 306 HA ASP 41 HA ASP 41 -5.858 17.719 -23.780 307 HB2 ASP 41 HB2 ASP 41 -7.688 16.239 -23.962 308 HB3 ASP 41 HB3 ASP 41 -7.012 16.276 -25.584 309 H ASN 42 H ASN 42 -6.856 16.270 -21.859 310 HA ASN 42 HA ASN 42 -4.716 15.965 -20.040 311 HB2 ASN 42 HB2 ASN 42 -6.449 15.384 -18.379 312 HB3 ASN 42 HB3 ASN 42 -6.908 16.786 -19.335 313 HD21 ASN 42 HD21 ASN 42 -8.637 16.604 -20.798 314 HD22 ASN 42 HD22 ASN 42 -9.754 15.289 -20.754 315 H ASN 43 H ASN 43 -6.571 13.570 -21.871 316 HA ASN 43 HA ASN 43 -5.663 11.271 -20.420 317 HB2 ASN 43 HB2 ASN 43 -6.781 11.398 -23.258 318 HB3 ASN 43 HB3 ASN 43 -6.540 9.924 -22.322 319 HD21 ASN 43 HD21 ASN 43 -7.526 11.142 -19.808 320 HD22 ASN 43 HD22 ASN 43 -9.234 11.291 -19.989 321 H ALA 44 H ALA 44 -4.676 12.796 -23.508 322 HA ALA 44 HA ALA 44 -2.498 11.084 -24.095 323 HB1 ALA 44 HB1 ALA 44 -1.743 12.846 -25.635 324 HB2 ALA 44 HB2 ALA 44 -2.858 13.997 -24.893 325 HB3 ALA 44 HB3 ALA 44 -3.485 12.599 -25.769 326 H ALA 45 H ALA 45 -2.752 14.011 -22.141 327 HA ALA 45 HA ALA 45 0.014 14.409 -21.592 328 HB1 ALA 45 HB1 ALA 45 -0.762 15.958 -19.839 329 HB2 ALA 45 HB2 ALA 45 -2.409 15.343 -20.010 330 HB3 ALA 45 HB3 ALA 45 -1.651 16.213 -21.344 331 H ALA 46 H ALA 46 -2.523 12.483 -20.087 332 HA ALA 46 HA ALA 46 -1.166 11.834 -17.665 333 HB1 ALA 46 HB1 ALA 46 -3.607 11.689 -17.859 334 HB2 ALA 46 HB2 ALA 46 -2.927 10.138 -17.366 335 HB3 ALA 46 HB3 ALA 46 -3.452 10.380 -19.034 336 H ILE 47 H ILE 47 -1.682 10.028 -20.700 337 HA ILE 47 HA ILE 47 -0.155 7.734 -20.073 338 HB ILE 47 HB ILE 47 -0.692 8.944 -22.832 339 HG12 ILE 47 HG12 ILE 47 -2.807 8.481 -21.631 340 HG13 ILE 47 HG13 ILE 47 -2.607 7.356 -22.966 341 HG21 ILE 47 HG21 ILE 47 1.144 7.323 -22.967 342 HG22 ILE 47 HG22 ILE 47 -0.295 6.647 -23.727 343 HG23 ILE 47 HG23 ILE 47 0.183 6.111 -22.115 344 HD11 ILE 47 HD11 ILE 47 -3.508 6.245 -21.000 345 HD12 ILE 47 HD12 ILE 47 -2.108 6.735 -20.050 346 HD13 ILE 47 HD13 ILE 47 -1.913 5.605 -21.391 347 H LYS 48 H LYS 48 0.685 10.771 -21.736 348 HA LYS 48 HA LYS 48 3.377 10.137 -22.351 349 HB2 LYS 48 HB2 LYS 48 1.908 12.004 -23.360 350 HB3 LYS 48 HB3 LYS 48 2.286 12.950 -21.930 351 HG2 LYS 48 HG2 LYS 48 3.694 13.613 -23.802 352 HG3 LYS 48 HG3 LYS 48 4.675 12.908 -22.512 353 HD2 LYS 48 HD2 LYS 48 4.904 10.820 -23.740 354 HD3 LYS 48 HD3 LYS 48 3.745 11.357 -24.961 355 HE2 LYS 48 HE2 LYS 48 6.442 12.655 -24.444 356 HE3 LYS 48 HE3 LYS 48 6.105 11.499 -25.734 357 HZ1 LYS 48 HZ1 LYS 48 6.029 13.788 -26.504 358 HZ2 LYS 48 HZ2 LYS 48 4.779 14.140 -25.427 359 HZ3 LYS 48 HZ3 LYS 48 4.530 13.033 -26.680 360 H ALA 49 H ALA 49 1.845 11.528 -19.482 361 HA ALA 49 HA ALA 49 4.123 12.448 -18.096 362 HB1 ALA 49 HB1 ALA 49 2.752 12.301 -16.061 363 HB2 ALA 49 HB2 ALA 49 1.562 11.315 -16.916 364 HB3 ALA 49 HB3 ALA 49 1.826 12.992 -17.394 365 H LEU 50 H LEU 50 2.530 9.276 -18.106 366 HA LEU 50 HA LEU 50 4.316 7.972 -16.311 367 HB2 LEU 50 HB2 LEU 50 2.222 7.013 -18.270 368 HB3 LEU 50 HB3 LEU 50 3.328 5.839 -17.590 369 HG LEU 50 HG LEU 50 1.250 5.814 -16.334 370 HD11 LEU 50 HD11 LEU 50 3.306 5.359 -15.084 371 HD12 LEU 50 HD12 LEU 50 2.097 6.122 -14.058 372 HD13 LEU 50 HD13 LEU 50 3.456 7.070 -14.668 373 HD21 LEU 50 HD21 LEU 50 0.441 7.739 -15.038 374 HD22 LEU 50 HD22 LEU 50 0.433 8.068 -16.768 375 HD23 LEU 50 HD23 LEU 50 1.701 8.756 -15.749 376 H GLU 51 H GLU 51 4.235 8.204 -19.876 377 HA GLU 51 HA GLU 51 6.342 6.412 -20.453 378 HB2 GLU 51 HB2 GLU 51 5.422 8.849 -22.040 379 HB3 GLU 51 HB3 GLU 51 6.478 7.586 -22.661 380 HG2 GLU 51 HG2 GLU 51 3.582 7.271 -21.836 381 HG3 GLU 51 HG3 GLU 51 4.205 7.273 -23.481 382 H LEU 52 H LEU 52 6.324 9.922 -19.980 383 HA LEU 52 HA LEU 52 9.120 10.299 -20.439 384 HB2 LEU 52 HB2 LEU 52 7.099 12.151 -19.133 385 HB3 LEU 52 HB3 LEU 52 8.733 12.602 -19.599 386 HG LEU 52 HG LEU 52 6.481 11.818 -21.486 387 HD11 LEU 52 HD11 LEU 52 6.611 14.143 -22.265 388 HD12 LEU 52 HD12 LEU 52 7.830 14.491 -21.037 389 HD13 LEU 52 HD13 LEU 52 6.192 14.043 -20.557 390 HD21 LEU 52 HD21 LEU 52 8.001 12.356 -23.343 391 HD22 LEU 52 HD22 LEU 52 8.600 10.996 -22.399 392 HD23 LEU 52 HD23 LEU 52 9.328 12.590 -22.201 393 H TYR 53 H TYR 53 7.175 9.587 -17.627 394 HA TYR 53 HA TYR 53 9.115 10.222 -15.642 395 HB2 TYR 53 HB2 TYR 53 6.752 9.939 -15.015 396 HB3 TYR 53 HB3 TYR 53 6.779 8.257 -15.540 397 HD1 TYR 53 HD1 TYR 53 9.176 10.233 -13.392 398 HD2 TYR 53 HD2 TYR 53 6.480 6.917 -13.592 399 HE1 TYR 53 HE1 TYR 53 9.840 9.545 -11.136 400 HE2 TYR 53 HE2 TYR 53 7.151 6.244 -11.326 401 HH TYR 53 HH TYR 53 8.996 8.272 -9.276 402 H LYS 54 H LYS 54 8.273 7.180 -17.329 403 HA LYS 54 HA LYS 54 10.111 5.599 -15.801 404 HB2 LYS 54 HB2 LYS 54 9.387 3.724 -17.111 405 HB3 LYS 54 HB3 LYS 54 7.975 4.720 -16.790 406 HG2 LYS 54 HG2 LYS 54 8.224 5.695 -19.103 407 HG3 LYS 54 HG3 LYS 54 9.507 4.517 -19.403 408 HD2 LYS 54 HD2 LYS 54 7.839 2.682 -18.906 409 HD3 LYS 54 HD3 LYS 54 6.586 3.921 -18.792 410 HE2 LYS 54 HE2 LYS 54 7.152 4.592 -21.165 411 HE3 LYS 54 HE3 LYS 54 8.214 3.184 -21.248 412 HZ1 LYS 54 HZ1 LYS 54 6.208 1.834 -20.654 413 HZ2 LYS 54 HZ2 LYS 54 6.148 2.576 -22.173 414 HZ3 LYS 54 HZ3 LYS 54 5.276 3.230 -20.883 415 H ILE 55 H ILE 55 10.313 7.254 -18.924 416 HA ILE 55 HA ILE 55 12.940 6.101 -19.549 417 HB ILE 55 HB ILE 55 12.925 7.424 -21.587 418 HG12 ILE 55 HG12 ILE 55 10.377 8.779 -20.579 419 HG13 ILE 55 HG13 ILE 55 11.949 9.553 -20.732 420 HG21 ILE 55 HG21 ILE 55 11.628 5.321 -21.623 421 HG22 ILE 55 HG22 ILE 55 10.909 6.507 -22.709 422 HG23 ILE 55 HG23 ILE 55 10.169 6.193 -21.139 423 HD11 ILE 55 HD11 ILE 55 11.839 9.205 -23.178 424 HD12 ILE 55 HD12 ILE 55 10.531 10.206 -22.551 425 HD13 ILE 55 HD13 ILE 55 10.220 8.524 -22.978 426 H ASN 56 H ASN 56 11.705 8.659 -17.699 427 HA ASN 56 HA ASN 56 12.520 10.419 -16.570 428 HB2 ASN 56 HB2 ASN 56 14.115 8.664 -15.735 429 HB3 ASN 56 HB3 ASN 56 15.246 9.121 -17.009 430 HD21 ASN 56 HD21 ASN 56 16.879 9.784 -15.623 431 HD22 ASN 56 HD22 ASN 56 16.761 11.179 -14.612 432 H ALA 57 H ALA 57 11.776 11.432 -18.649 433 HA ALA 57 HA ALA 57 13.709 12.482 -20.511 434 HB1 ALA 57 HB1 ALA 57 10.762 13.130 -20.182 435 HB2 ALA 57 HB2 ALA 57 11.430 11.871 -21.219 436 HB3 ALA 57 HB3 ALA 57 11.778 13.564 -21.564 437 H LYS 58 H LYS 58 13.115 14.991 -21.068 438 HA LYS 58 HA LYS 58 14.437 16.556 -19.115 439 HB2 LYS 58 HB2 LYS 58 12.822 17.450 -21.537 440 HB3 LYS 58 HB3 LYS 58 13.956 18.458 -20.646 441 HG2 LYS 58 HG2 LYS 58 14.698 15.932 -22.143 442 HG3 LYS 58 HG3 LYS 58 14.868 17.562 -22.800 443 HD2 LYS 58 HD2 LYS 58 16.290 16.484 -20.330 444 HD3 LYS 58 HD3 LYS 58 17.009 16.654 -21.931 445 HE2 LYS 58 HE2 LYS 58 16.770 19.091 -21.820 446 HE3 LYS 58 HE3 LYS 58 15.934 18.965 -20.272 447 HZ1 LYS 58 HZ1 LYS 58 18.756 18.188 -20.787 448 HZ2 LYS 58 HZ2 LYS 58 17.946 18.024 -19.313 449 HZ3 LYS 58 HZ3 LYS 58 18.233 19.562 -19.952 450 H LEU 59 H LEU 59 13.488 16.903 -17.218 451 HA LEU 59 HA LEU 59 10.736 17.986 -17.082 452 HB2 LEU 59 HB2 LEU 59 11.119 15.923 -15.738 453 HB3 LEU 59 HB3 LEU 59 12.417 16.729 -14.873 454 HG LEU 59 HG LEU 59 10.740 18.366 -13.945 455 HD11 LEU 59 HD11 LEU 59 9.034 18.266 -15.690 456 HD12 LEU 59 HD12 LEU 59 8.330 17.892 -14.120 457 HD13 LEU 59 HD13 LEU 59 8.658 16.591 -15.269 458 HD21 LEU 59 HD21 LEU 59 9.725 16.832 -12.311 459 HD22 LEU 59 HD22 LEU 59 11.404 16.402 -12.615 460 HD23 LEU 59 HD23 LEU 59 10.109 15.449 -13.343 461 H CYS 60 H CYS 60 10.476 20.026 -16.395 462 HA CYS 60 HA CYS 60 12.832 21.689 -15.764 463 HB2 CYS 60 HB2 CYS 60 9.986 22.604 -16.348 464 HB3 CYS 60 HB3 CYS 60 11.457 23.570 -16.381 465 H ASP 61 H ASP 61 9.773 20.527 -14.507 466 HA ASP 61 HA ASP 61 8.535 20.785 -12.664 467 HB2 ASP 61 HB2 ASP 61 10.985 22.108 -11.416 468 HB3 ASP 61 HB3 ASP 61 9.528 21.672 -10.533 469 HA PRO 62 HA PRO 62 6.587 24.829 -13.163 470 HB2 PRO 62 HB2 PRO 62 5.083 24.964 -10.837 471 HB3 PRO 62 HB3 PRO 62 4.629 23.991 -12.244 472 HG2 PRO 62 HG2 PRO 62 6.049 23.121 -9.724 473 HG3 PRO 62 HG3 PRO 62 4.691 22.344 -10.570 474 HD2 PRO 62 HD2 PRO 62 7.211 21.448 -10.879 475 HD3 PRO 62 HD3 PRO 62 6.081 21.464 -12.250 476 H HIS 63 H HIS 63 7.185 26.940 -12.701 477 HA HIS 63 HA HIS 63 9.366 27.405 -10.900 478 HB2 HIS 63 HB2 HIS 63 9.450 29.641 -11.727 479 HB3 HIS 63 HB3 HIS 63 8.966 28.671 -13.102 480 HD1 HIS 63 HD1 HIS 63 7.827 31.437 -10.890 481 HD2 HIS 63 HD2 HIS 63 6.249 29.118 -13.951 482 HE1 HIS 63 HE1 HIS 63 5.775 32.646 -11.663 483 HE2 HIS 63 HE2 HIS 63 4.729 31.104 -13.349 484 HA PRO 64 HA PRO 64 7.147 28.526 -7.069 485 HB2 PRO 64 HB2 PRO 64 9.426 30.519 -6.880 486 HB3 PRO 64 HB3 PRO 64 8.788 29.418 -5.647 487 HG2 PRO 64 HG2 PRO 64 11.049 28.799 -6.890 488 HG3 PRO 64 HG3 PRO 64 9.833 27.530 -6.613 489 HD2 PRO 64 HD2 PRO 64 10.447 29.054 -9.146 490 HD3 PRO 64 HD3 PRO 64 10.095 27.324 -8.933 Start of MODEL 13 1 H MET 1 H MET 1 6.914 0.014 -7.856 2 HA MET 1 HA MET 1 4.594 -0.041 -7.429 3 HB2 MET 1 HB2 MET 1 3.727 0.257 -5.098 4 HB3 MET 1 HB3 MET 1 4.580 -1.261 -5.317 5 HG2 MET 1 HG2 MET 1 6.586 -0.229 -4.235 6 HG3 MET 1 HG3 MET 1 5.620 1.210 -3.909 7 HE1 MET 1 HE1 MET 1 4.738 -2.934 -2.033 8 HE2 MET 1 HE2 MET 1 6.117 -2.636 -3.087 9 HE3 MET 1 HE3 MET 1 4.479 -2.601 -3.747 10 H LYS 2 H LYS 2 3.797 1.904 -8.013 11 HA LYS 2 HA LYS 2 5.378 4.280 -7.824 12 HB2 LYS 2 HB2 LYS 2 2.501 3.883 -8.747 13 HB3 LYS 2 HB3 LYS 2 3.376 5.406 -8.872 14 HG2 LYS 2 HG2 LYS 2 5.005 4.386 -10.399 15 HG3 LYS 2 HG3 LYS 2 4.204 2.821 -10.237 16 HD2 LYS 2 HD2 LYS 2 2.925 5.329 -11.394 17 HD3 LYS 2 HD3 LYS 2 3.584 4.002 -12.350 18 HE2 LYS 2 HE2 LYS 2 1.903 2.478 -11.522 19 HE3 LYS 2 HE3 LYS 2 1.322 3.654 -10.343 20 HZ1 LYS 2 HZ1 LYS 2 0.593 5.057 -12.165 21 HZ2 LYS 2 HZ2 LYS 2 -0.127 3.532 -12.259 22 HZ3 LYS 2 HZ3 LYS 2 1.149 3.922 -13.294 23 H ARG 3 H ARG 3 5.721 4.813 -5.707 24 HA ARG 3 HA ARG 3 3.581 5.174 -3.771 25 HB2 ARG 3 HB2 ARG 3 6.555 5.834 -3.647 26 HB3 ARG 3 HB3 ARG 3 5.443 5.985 -2.292 27 HG2 ARG 3 HG2 ARG 3 4.985 3.468 -2.588 28 HG3 ARG 3 HG3 ARG 3 6.395 3.450 -3.651 29 HD2 ARG 3 HD2 ARG 3 6.977 2.789 -1.335 30 HD3 ARG 3 HD3 ARG 3 7.809 4.276 -1.817 31 HE ARG 3 HE ARG 3 5.279 4.632 -0.415 32 HH11 ARG 3 HH11 ARG 3 8.755 4.403 -0.001 33 HH12 ARG 3 HH12 ARG 3 8.753 5.346 1.454 34 HH21 ARG 3 HH21 ARG 3 5.309 5.854 1.482 35 HH22 ARG 3 HH22 ARG 3 6.813 6.146 2.297 36 H ALA 4 H ALA 4 4.363 7.505 -2.439 37 HA ALA 4 HA ALA 4 2.937 9.503 -3.781 38 HB1 ALA 4 HB1 ALA 4 3.134 9.413 -1.336 39 HB2 ALA 4 HB2 ALA 4 3.626 10.990 -1.954 40 HB3 ALA 4 HB3 ALA 4 4.848 9.823 -1.448 41 H ALA 5 H ALA 5 6.457 9.078 -3.357 42 HA ALA 5 HA ALA 5 7.333 11.434 -4.646 43 HB1 ALA 5 HB1 ALA 5 8.784 10.062 -3.205 44 HB2 ALA 5 HB2 ALA 5 9.523 10.323 -4.783 45 HB3 ALA 5 HB3 ALA 5 8.774 8.768 -4.407 46 H ALA 6 H ALA 6 6.575 8.227 -5.880 47 HA ALA 6 HA ALA 6 7.571 8.565 -8.540 48 HB1 ALA 6 HB1 ALA 6 6.418 6.438 -8.981 49 HB2 ALA 6 HB2 ALA 6 5.606 6.551 -7.417 50 HB3 ALA 6 HB3 ALA 6 7.358 6.365 -7.489 51 H LYS 7 H LYS 7 4.366 8.787 -7.043 52 HA LYS 7 HA LYS 7 2.919 9.281 -9.473 53 HB2 LYS 7 HB2 LYS 7 1.909 8.225 -7.453 54 HB3 LYS 7 HB3 LYS 7 2.100 9.737 -6.574 55 HG2 LYS 7 HG2 LYS 7 0.517 10.851 -8.108 56 HG3 LYS 7 HG3 LYS 7 0.349 9.359 -9.036 57 HD2 LYS 7 HD2 LYS 7 -0.428 9.710 -6.115 58 HD3 LYS 7 HD3 LYS 7 -1.551 9.716 -7.473 59 HE2 LYS 7 HE2 LYS 7 -1.093 7.395 -7.953 60 HE3 LYS 7 HE3 LYS 7 0.231 7.353 -6.788 61 HZ1 LYS 7 HZ1 LYS 7 -1.805 6.330 -5.944 62 HZ2 LYS 7 HZ2 LYS 7 -2.622 7.804 -6.095 63 HZ3 LYS 7 HZ3 LYS 7 -1.336 7.659 -5.011 64 H HIS 8 H HIS 8 4.454 11.251 -7.002 65 HA HIS 8 HA HIS 8 3.554 13.787 -7.968 66 HB2 HIS 8 HB2 HIS 8 5.808 13.007 -6.100 67 HB3 HIS 8 HB3 HIS 8 5.599 14.676 -6.634 68 HD1 HIS 8 HD1 HIS 8 5.086 13.080 -3.712 69 HD2 HIS 8 HD2 HIS 8 2.399 15.052 -6.196 70 HE1 HIS 8 HE1 HIS 8 3.166 13.735 -2.248 71 HE2 HIS 8 HE2 HIS 8 1.469 14.739 -3.812 72 H LEU 9 H LEU 9 6.283 11.661 -8.712 73 HA LEU 9 HA LEU 9 7.756 13.429 -10.369 74 HB2 LEU 9 HB2 LEU 9 8.010 10.736 -9.534 75 HB3 LEU 9 HB3 LEU 9 7.858 10.618 -11.271 76 HG LEU 9 HG LEU 9 10.219 10.645 -10.562 77 HD11 LEU 9 HD11 LEU 9 11.066 12.413 -12.031 78 HD12 LEU 9 HD12 LEU 9 9.461 13.147 -12.086 79 HD13 LEU 9 HD13 LEU 9 9.724 11.538 -12.764 80 HD21 LEU 9 HD21 LEU 9 9.679 13.421 -9.472 81 HD22 LEU 9 HD22 LEU 9 11.243 12.604 -9.541 82 HD23 LEU 9 HD23 LEU 9 9.967 11.967 -8.506 83 H ILE 10 H ILE 10 5.234 11.042 -11.085 84 HA ILE 10 HA ILE 10 4.809 11.533 -13.818 85 HB ILE 10 HB ILE 10 2.818 10.657 -11.673 86 HG12 ILE 10 HG12 ILE 10 4.372 8.926 -13.651 87 HG13 ILE 10 HG13 ILE 10 4.853 9.188 -11.981 88 HG21 ILE 10 HG21 ILE 10 2.529 10.404 -14.694 89 HG22 ILE 10 HG22 ILE 10 1.582 11.462 -13.647 90 HG23 ILE 10 HG23 ILE 10 1.431 9.712 -13.496 91 HD11 ILE 10 HD11 ILE 10 2.808 8.097 -11.214 92 HD12 ILE 10 HD12 ILE 10 3.758 7.053 -12.272 93 HD13 ILE 10 HD13 ILE 10 2.313 7.849 -12.892 94 H GLU 11 H GLU 11 3.525 13.094 -10.908 95 HA GLU 11 HA GLU 11 1.649 14.847 -12.092 96 HB2 GLU 11 HB2 GLU 11 1.734 14.230 -9.645 97 HB3 GLU 11 HB3 GLU 11 3.185 15.206 -9.482 98 HG2 GLU 11 HG2 GLU 11 1.316 16.455 -8.626 99 HG3 GLU 11 HG3 GLU 11 1.860 17.226 -10.120 100 H ARG 12 H ARG 12 5.141 15.105 -11.571 101 HA ARG 12 HA ARG 12 5.379 17.893 -12.153 102 HB2 ARG 12 HB2 ARG 12 7.538 15.787 -12.580 103 HB3 ARG 12 HB3 ARG 12 7.778 17.520 -12.413 104 HG2 ARG 12 HG2 ARG 12 6.905 15.588 -10.273 105 HG3 ARG 12 HG3 ARG 12 8.460 16.389 -10.401 106 HD2 ARG 12 HD2 ARG 12 5.855 17.892 -10.016 107 HD3 ARG 12 HD3 ARG 12 6.848 17.334 -8.672 108 HE ARG 12 HE ARG 12 8.054 19.067 -10.716 109 HH11 ARG 12 HH11 ARG 12 6.927 18.734 -7.400 110 HH12 ARG 12 HH12 ARG 12 7.758 20.159 -6.864 111 HH21 ARG 12 HH21 ARG 12 9.138 20.887 -9.991 112 HH22 ARG 12 HH22 ARG 12 9.011 21.381 -8.331 113 H TYR 13 H TYR 13 5.764 14.919 -14.083 114 HA TYR 13 HA TYR 13 6.304 16.133 -16.587 115 HB2 TYR 13 HB2 TYR 13 5.120 13.421 -15.893 116 HB3 TYR 13 HB3 TYR 13 5.533 13.896 -17.541 117 HD1 TYR 13 HD1 TYR 13 8.089 14.860 -17.737 118 HD2 TYR 13 HD2 TYR 13 6.693 12.103 -14.782 119 HE1 TYR 13 HE1 TYR 13 10.371 13.994 -17.450 120 HE2 TYR 13 HE2 TYR 13 8.968 11.262 -14.500 121 HH TYR 13 HH TYR 13 11.032 11.121 -15.814 122 H TYR 14 H TYR 14 3.296 15.275 -14.967 123 HA TYR 14 HA TYR 14 1.512 15.647 -17.144 124 HB2 TYR 14 HB2 TYR 14 0.910 14.318 -15.141 125 HB3 TYR 14 HB3 TYR 14 0.996 15.764 -14.141 126 HD1 TYR 14 HD1 TYR 14 -0.828 14.341 -17.101 127 HD2 TYR 14 HD2 TYR 14 -0.984 17.061 -13.800 128 HE1 TYR 14 HE1 TYR 14 -3.200 14.773 -17.558 129 HE2 TYR 14 HE2 TYR 14 -3.349 17.495 -14.272 130 HH TYR 14 HH TYR 14 -4.901 17.352 -16.223 131 H HIS 15 H HIS 15 2.388 17.671 -14.363 132 HA HIS 15 HA HIS 15 1.091 20.059 -15.039 133 HB2 HIS 15 HB2 HIS 15 2.041 19.748 -12.805 134 HB3 HIS 15 HB3 HIS 15 3.663 19.575 -13.467 135 HD1 HIS 15 HD1 HIS 15 4.772 21.825 -14.431 136 HD2 HIS 15 HD2 HIS 15 1.287 22.362 -12.233 137 HE1 HIS 15 HE1 HIS 15 4.715 24.253 -13.841 138 HE2 HIS 15 HE2 HIS 15 2.563 24.571 -12.585 139 H GLN 16 H GLN 16 4.190 18.698 -16.044 140 HA GLN 16 HA GLN 16 5.341 21.014 -17.203 141 HB2 GLN 16 HB2 GLN 16 6.570 18.913 -16.493 142 HB3 GLN 16 HB3 GLN 16 5.914 18.104 -17.908 143 HG2 GLN 16 HG2 GLN 16 7.095 19.755 -19.348 144 HG3 GLN 16 HG3 GLN 16 7.803 20.473 -17.904 145 HE21 GLN 16 HE21 GLN 16 7.351 17.004 -18.524 146 HE22 GLN 16 HE22 GLN 16 9.035 16.618 -18.572 147 H LEU 17 H LEU 17 3.370 18.371 -18.516 148 HA LEU 17 HA LEU 17 3.507 19.220 -21.269 149 HB2 LEU 17 HB2 LEU 17 1.680 17.245 -19.855 150 HB3 LEU 17 HB3 LEU 17 1.740 17.462 -21.599 151 HG LEU 17 HG LEU 17 4.166 16.614 -19.979 152 HD11 LEU 17 HD11 LEU 17 2.445 14.914 -19.648 153 HD12 LEU 17 HD12 LEU 17 3.744 14.298 -20.668 154 HD13 LEU 17 HD13 LEU 17 2.212 14.788 -21.393 155 HD21 LEU 17 HD21 LEU 17 3.597 16.415 -22.953 156 HD22 LEU 17 HD22 LEU 17 5.048 15.828 -22.138 157 HD23 LEU 17 HD23 LEU 17 4.701 17.555 -22.179 158 H THR 18 H THR 18 0.956 19.362 -18.746 159 HA THR 18 HA THR 18 -0.965 20.618 -20.471 160 HB THR 18 HB THR 18 -2.406 20.794 -18.445 161 HG1 THR 18 HG1 THR 18 -1.257 21.075 -16.678 162 HG21 THR 18 HG21 THR 18 -2.387 18.640 -19.666 163 HG22 THR 18 HG22 THR 18 -2.617 18.384 -17.937 164 HG23 THR 18 HG23 THR 18 -1.041 18.077 -18.668 165 H GLU 19 H GLU 19 0.726 21.778 -17.514 166 HA GLU 19 HA GLU 19 -0.221 24.500 -17.910 167 HB2 GLU 19 HB2 GLU 19 1.643 23.450 -15.738 168 HB3 GLU 19 HB3 GLU 19 0.767 24.976 -15.719 169 HG2 GLU 19 HG2 GLU 19 -0.406 22.188 -15.502 170 HG3 GLU 19 HG3 GLU 19 -0.316 23.406 -14.232 171 H GLY 20 H GLY 20 2.900 22.808 -17.811 172 HA2 GLY 20 HA2 GLY 20 4.796 23.362 -19.105 173 HA3 GLY 20 HA3 GLY 20 4.248 25.026 -19.208 174 H CYS 21 H CYS 21 5.475 26.362 -18.083 175 HA CYS 21 HA CYS 21 6.251 25.835 -15.324 176 HB2 CYS 21 HB2 CYS 21 8.697 26.295 -15.830 177 HB3 CYS 21 HB3 CYS 21 8.092 24.759 -16.449 178 H GLY 22 H GLY 22 5.114 27.996 -17.523 179 HA2 GLY 22 HA2 GLY 22 4.763 30.278 -17.364 180 HA3 GLY 22 HA3 GLY 22 5.875 30.359 -16.011 181 H ASN 23 H ASN 23 8.082 29.068 -17.433 182 HA ASN 23 HA ASN 23 9.482 31.224 -18.439 183 HB2 ASN 23 HB2 ASN 23 10.570 29.209 -17.586 184 HB3 ASN 23 HB3 ASN 23 9.915 28.248 -18.904 185 HD21 ASN 23 HD21 ASN 23 11.385 31.483 -19.222 186 HD22 ASN 23 HD22 ASN 23 12.746 30.949 -20.138 187 H GLU 24 H GLU 24 9.181 32.366 -20.211 188 HA GLU 24 HA GLU 24 7.495 31.674 -22.376 189 HB2 GLU 24 HB2 GLU 24 8.240 33.862 -23.328 190 HB3 GLU 24 HB3 GLU 24 7.756 33.993 -21.641 191 HG2 GLU 24 HG2 GLU 24 10.164 33.937 -20.976 192 HG3 GLU 24 HG3 GLU 24 10.610 33.907 -22.678 193 H ALA 25 H ALA 25 11.025 31.819 -22.053 194 HA ALA 25 HA ALA 25 11.460 30.964 -24.844 195 HB1 ALA 25 HB1 ALA 25 12.713 32.931 -24.016 196 HB2 ALA 25 HB2 ALA 25 13.804 31.604 -24.417 197 HB3 ALA 25 HB3 ALA 25 13.419 31.949 -22.730 198 H CYS 26 H CYS 26 10.306 29.003 -23.354 199 HA CYS 26 HA CYS 26 12.226 27.353 -21.983 200 HB2 CYS 26 HB2 CYS 26 9.911 27.407 -21.198 201 HB3 CYS 26 HB3 CYS 26 9.342 26.764 -22.744 202 H THR 27 H THR 27 13.317 25.636 -22.717 203 HA THR 27 HA THR 27 13.547 25.263 -25.588 204 HB THR 27 HB THR 27 15.593 23.915 -24.893 205 HG1 THR 27 HG1 THR 27 16.125 24.451 -22.551 206 HG21 THR 27 HG21 THR 27 16.924 25.857 -24.136 207 HG22 THR 27 HG22 THR 27 15.438 26.740 -23.776 208 HG23 THR 27 HG23 THR 27 15.828 26.312 -25.443 209 H ASN 28 H ASN 28 12.499 23.426 -22.790 210 HA ASN 28 HA ASN 28 12.899 20.786 -23.746 211 HB2 ASN 28 HB2 ASN 28 12.702 21.502 -21.335 212 HB3 ASN 28 HB3 ASN 28 10.980 21.743 -21.578 213 HD21 ASN 28 HD21 ASN 28 12.345 19.977 -19.700 214 HD22 ASN 28 HD22 ASN 28 11.764 18.385 -20.030 215 H GLU 29 H GLU 29 11.814 19.832 -25.391 216 HA GLU 29 HA GLU 29 9.422 20.821 -26.573 217 HB2 GLU 29 HB2 GLU 29 9.505 18.885 -28.057 218 HB3 GLU 29 HB3 GLU 29 11.099 19.602 -27.903 219 HG2 GLU 29 HG2 GLU 29 10.277 17.169 -26.290 220 HG3 GLU 29 HG3 GLU 29 10.916 17.030 -27.918 221 H PHE 30 H PHE 30 9.933 18.525 -24.014 222 HA PHE 30 HA PHE 30 7.214 17.421 -24.081 223 HB2 PHE 30 HB2 PHE 30 9.449 17.024 -22.032 224 HB3 PHE 30 HB3 PHE 30 7.937 16.123 -22.085 225 HD1 PHE 30 HD1 PHE 30 7.447 14.938 -24.436 226 HD2 PHE 30 HD2 PHE 30 11.336 16.004 -22.994 227 HE1 PHE 30 HE1 PHE 30 8.465 13.259 -25.913 228 HE2 PHE 30 HE2 PHE 30 12.340 14.313 -24.473 229 HZ PHE 30 HZ PHE 30 10.904 12.942 -25.931 230 H CYS 31 H CYS 31 7.573 20.342 -23.665 231 HA CYS 31 HA CYS 31 6.272 20.684 -21.040 232 HB2 CYS 31 HB2 CYS 31 8.787 21.026 -20.848 233 HB3 CYS 31 HB3 CYS 31 8.637 22.369 -21.945 234 H ALA 32 H ALA 32 4.758 22.292 -21.058 235 HA ALA 32 HA ALA 32 3.962 23.536 -23.526 236 HB1 ALA 32 HB1 ALA 32 2.941 23.991 -20.697 237 HB2 ALA 32 HB2 ALA 32 2.336 22.767 -21.812 238 HB3 ALA 32 HB3 ALA 32 2.139 24.479 -22.188 239 H SER 33 H SER 33 3.598 25.892 -23.666 240 HA SER 33 HA SER 33 4.413 27.949 -24.000 241 HB2 SER 33 HB2 SER 33 4.417 28.143 -21.476 242 HB3 SER 33 HB3 SER 33 6.107 27.644 -21.487 243 HG SER 33 HG SER 33 6.628 29.506 -22.601 244 H CYS 34 H CYS 34 6.065 25.231 -24.492 245 HA CYS 34 HA CYS 34 8.382 26.542 -25.764 246 HB2 CYS 34 HB2 CYS 34 7.675 23.573 -25.606 247 HB3 CYS 34 HB3 CYS 34 9.204 24.264 -26.153 248 HG CYS 34 HG CYS 34 8.526 23.219 -23.281 249 HA PRO 35 HA PRO 35 5.991 26.790 -29.558 250 HB2 PRO 35 HB2 PRO 35 7.975 27.163 -31.404 251 HB3 PRO 35 HB3 PRO 35 7.556 28.405 -30.216 252 HG2 PRO 35 HG2 PRO 35 9.783 26.366 -30.105 253 HG3 PRO 35 HG3 PRO 35 9.857 28.116 -29.790 254 HD2 PRO 35 HD2 PRO 35 9.691 26.309 -27.766 255 HD3 PRO 35 HD3 PRO 35 8.906 27.899 -27.657 256 H THR 36 H THR 36 8.527 24.416 -29.209 257 HA THR 36 HA THR 36 7.833 22.848 -31.545 258 HB THR 36 HB THR 36 9.655 21.313 -30.641 259 HG1 THR 36 HG1 THR 36 10.945 22.335 -28.926 260 HG21 THR 36 HG21 THR 36 10.430 24.238 -30.983 261 HG22 THR 36 HG22 THR 36 10.189 23.081 -32.293 262 HG23 THR 36 HG23 THR 36 11.515 22.858 -31.153 263 H PHE 37 H PHE 37 6.734 23.025 -28.295 264 HA PHE 37 HA PHE 37 5.935 20.290 -27.958 265 HB2 PHE 37 HB2 PHE 37 6.239 21.706 -25.979 266 HB3 PHE 37 HB3 PHE 37 4.981 22.804 -26.529 267 HD1 PHE 37 HD1 PHE 37 5.426 19.144 -25.741 268 HD2 PHE 37 HD2 PHE 37 2.835 22.542 -25.563 269 HE1 PHE 37 HE1 PHE 37 3.763 17.815 -24.525 270 HE2 PHE 37 HE2 PHE 37 1.180 21.199 -24.343 271 HZ PHE 37 HZ PHE 37 1.636 18.836 -23.823 272 H LEU 38 H LEU 38 4.097 19.298 -28.569 273 HA LEU 38 HA LEU 38 2.058 20.800 -30.083 274 HB2 LEU 38 HB2 LEU 38 2.618 17.815 -29.907 275 HB3 LEU 38 HB3 LEU 38 1.347 18.549 -30.878 276 HG LEU 38 HG LEU 38 4.321 19.054 -31.261 277 HD11 LEU 38 HD11 LEU 38 2.448 17.356 -32.920 278 HD12 LEU 38 HD12 LEU 38 3.765 16.770 -31.904 279 HD13 LEU 38 HD13 LEU 38 4.122 17.738 -33.333 280 HD21 LEU 38 HD21 LEU 38 1.964 19.965 -32.948 281 HD22 LEU 38 HD22 LEU 38 3.665 20.188 -33.362 282 HD23 LEU 38 HD23 LEU 38 2.993 20.995 -31.949 283 H ARG 39 H ARG 39 0.158 21.165 -29.224 284 HA ARG 39 HA ARG 39 -0.274 20.724 -26.436 285 HB2 ARG 39 HB2 ARG 39 -1.981 22.046 -28.574 286 HB3 ARG 39 HB3 ARG 39 -2.501 21.921 -26.898 287 HG2 ARG 39 HG2 ARG 39 -0.045 23.389 -27.898 288 HG3 ARG 39 HG3 ARG 39 -1.558 24.124 -27.363 289 HD2 ARG 39 HD2 ARG 39 0.455 22.604 -25.681 290 HD3 ARG 39 HD3 ARG 39 0.013 24.308 -25.557 291 HE ARG 39 HE ARG 39 -2.321 22.877 -25.134 292 HH11 ARG 39 HH11 ARG 39 0.770 23.182 -23.503 293 HH12 ARG 39 HH12 ARG 39 0.125 22.745 -21.956 294 HH21 ARG 39 HH21 ARG 39 -3.137 22.292 -23.102 295 HH22 ARG 39 HH22 ARG 39 -2.085 22.267 -21.725 296 H MET 40 H MET 40 -0.423 18.497 -26.196 297 HA MET 40 HA MET 40 -2.668 16.964 -27.180 298 HB2 MET 40 HB2 MET 40 -1.860 15.233 -25.609 299 HB3 MET 40 HB3 MET 40 -0.540 15.871 -26.576 300 HG2 MET 40 HG2 MET 40 0.093 17.339 -24.628 301 HG3 MET 40 HG3 MET 40 -1.134 16.505 -23.674 302 HE1 MET 40 HE1 MET 40 2.323 16.166 -25.550 303 HE2 MET 40 HE2 MET 40 1.316 14.998 -26.410 304 HE3 MET 40 HE3 MET 40 2.635 14.438 -25.385 305 H ASP 41 H ASP 41 -4.369 16.124 -25.801 306 HA ASP 41 HA ASP 41 -5.487 18.039 -23.941 307 HB2 ASP 41 HB2 ASP 41 -7.359 16.438 -23.732 308 HB3 ASP 41 HB3 ASP 41 -6.979 16.764 -25.419 309 H ASN 42 H ASN 42 -6.405 17.076 -21.782 310 HA ASN 42 HA ASN 42 -4.196 16.654 -20.095 311 HB2 ASN 42 HB2 ASN 42 -5.797 16.539 -18.255 312 HB3 ASN 42 HB3 ASN 42 -6.279 17.802 -19.376 313 HD21 ASN 42 HD21 ASN 42 -8.153 17.484 -20.649 314 HD22 ASN 42 HD22 ASN 42 -9.334 16.294 -20.243 315 H ASN 43 H ASN 43 -6.476 14.333 -21.501 316 HA ASN 43 HA ASN 43 -5.763 12.124 -19.791 317 HB2 ASN 43 HB2 ASN 43 -7.163 12.060 -22.502 318 HB3 ASN 43 HB3 ASN 43 -7.105 10.740 -21.333 319 HD21 ASN 43 HD21 ASN 43 -8.373 10.910 -19.427 320 HD22 ASN 43 HD22 ASN 43 -9.683 12.033 -19.313 321 H ALA 44 H ALA 44 -4.821 13.233 -23.025 322 HA ALA 44 HA ALA 44 -3.049 11.076 -23.665 323 HB1 ALA 44 HB1 ALA 44 -4.007 12.538 -25.396 324 HB2 ALA 44 HB2 ALA 44 -2.243 12.562 -25.459 325 HB3 ALA 44 HB3 ALA 44 -3.118 13.916 -24.740 326 H ALA 45 H ALA 45 -2.726 14.135 -21.969 327 HA ALA 45 HA ALA 45 0.125 14.136 -21.697 328 HB1 ALA 45 HB1 ALA 45 -1.975 15.652 -20.116 329 HB2 ALA 45 HB2 ALA 45 -1.193 16.208 -21.597 330 HB3 ALA 45 HB3 ALA 45 -0.241 15.986 -20.127 331 H ALA 46 H ALA 46 -2.538 12.741 -19.899 332 HA ALA 46 HA ALA 46 -1.105 12.063 -17.520 333 HB1 ALA 46 HB1 ALA 46 -3.021 10.600 -17.037 334 HB2 ALA 46 HB2 ALA 46 -3.615 10.817 -18.687 335 HB3 ALA 46 HB3 ALA 46 -3.558 12.191 -17.582 336 H ILE 47 H ILE 47 -1.947 10.291 -20.485 337 HA ILE 47 HA ILE 47 -0.656 7.839 -19.930 338 HB ILE 47 HB ILE 47 -1.287 9.190 -22.595 339 HG12 ILE 47 HG12 ILE 47 -3.302 8.651 -21.231 340 HG13 ILE 47 HG13 ILE 47 -3.244 7.673 -22.692 341 HG21 ILE 47 HG21 ILE 47 -0.408 6.312 -22.140 342 HG22 ILE 47 HG22 ILE 47 0.499 7.568 -22.983 343 HG23 ILE 47 HG23 ILE 47 -1.009 6.965 -23.669 344 HD11 ILE 47 HD11 ILE 47 -3.979 6.351 -20.807 345 HD12 ILE 47 HD12 ILE 47 -2.521 6.760 -19.904 346 HD13 ILE 47 HD13 ILE 47 -2.408 5.772 -21.363 347 H LYS 48 H LYS 48 0.443 10.816 -21.553 348 HA LYS 48 HA LYS 48 3.046 9.807 -22.180 349 HB2 LYS 48 HB2 LYS 48 1.842 11.626 -23.481 350 HB3 LYS 48 HB3 LYS 48 2.180 12.726 -22.147 351 HG2 LYS 48 HG2 LYS 48 3.795 13.029 -23.970 352 HG3 LYS 48 HG3 LYS 48 4.597 12.455 -22.502 353 HD2 LYS 48 HD2 LYS 48 4.585 10.131 -23.437 354 HD3 LYS 48 HD3 LYS 48 3.840 10.750 -24.913 355 HE2 LYS 48 HE2 LYS 48 6.564 11.562 -23.857 356 HE3 LYS 48 HE3 LYS 48 6.284 10.400 -25.151 357 HZ1 LYS 48 HZ1 LYS 48 6.837 12.541 -26.045 358 HZ2 LYS 48 HZ2 LYS 48 5.571 13.283 -25.210 359 HZ3 LYS 48 HZ3 LYS 48 5.236 12.170 -26.437 360 H ALA 49 H ALA 49 1.644 11.408 -19.387 361 HA ALA 49 HA ALA 49 4.043 12.224 -18.097 362 HB1 ALA 49 HB1 ALA 49 2.714 12.263 -16.029 363 HB2 ALA 49 HB2 ALA 49 1.414 11.379 -16.833 364 HB3 ALA 49 HB3 ALA 49 1.831 13.009 -17.362 365 H LEU 50 H LEU 50 2.218 9.171 -18.089 366 HA LEU 50 HA LEU 50 3.954 7.706 -16.370 367 HB2 LEU 50 HB2 LEU 50 1.797 6.965 -18.336 368 HB3 LEU 50 HB3 LEU 50 2.887 5.693 -17.828 369 HG LEU 50 HG LEU 50 0.827 5.639 -16.516 370 HD11 LEU 50 HD11 LEU 50 2.896 4.886 -15.437 371 HD12 LEU 50 HD12 LEU 50 1.770 5.570 -14.270 372 HD13 LEU 50 HD13 LEU 50 3.169 6.510 -14.796 373 HD21 LEU 50 HD21 LEU 50 1.517 8.434 -15.564 374 HD22 LEU 50 HD22 LEU 50 0.197 7.426 -14.963 375 HD23 LEU 50 HD23 LEU 50 0.180 7.992 -16.630 376 H GLU 51 H GLU 51 3.919 8.176 -19.899 377 HA GLU 51 HA GLU 51 5.971 6.337 -20.574 378 HB2 GLU 51 HB2 GLU 51 4.932 8.828 -21.969 379 HB3 GLU 51 HB3 GLU 51 6.149 7.785 -22.692 380 HG2 GLU 51 HG2 GLU 51 3.379 6.851 -21.870 381 HG3 GLU 51 HG3 GLU 51 3.813 7.361 -23.497 382 H LEU 52 H LEU 52 6.052 9.813 -19.890 383 HA LEU 52 HA LEU 52 8.852 10.159 -20.266 384 HB2 LEU 52 HB2 LEU 52 6.819 11.862 -18.782 385 HB3 LEU 52 HB3 LEU 52 8.481 12.343 -19.083 386 HG LEU 52 HG LEU 52 6.350 11.881 -21.207 387 HD11 LEU 52 HD11 LEU 52 6.016 13.956 -19.945 388 HD12 LEU 52 HD12 LEU 52 6.508 14.296 -21.602 389 HD13 LEU 52 HD13 LEU 52 7.678 14.447 -20.287 390 HD21 LEU 52 HD21 LEU 52 9.235 12.754 -21.576 391 HD22 LEU 52 HD22 LEU 52 8.003 12.684 -22.837 392 HD23 LEU 52 HD23 LEU 52 8.549 11.201 -22.062 393 H TYR 53 H TYR 53 6.839 9.252 -17.548 394 HA TYR 53 HA TYR 53 8.734 9.500 -15.467 395 HB2 TYR 53 HB2 TYR 53 6.400 9.266 -14.896 396 HB3 TYR 53 HB3 TYR 53 6.259 7.747 -15.774 397 HD1 TYR 53 HD1 TYR 53 8.145 9.250 -12.870 398 HD2 TYR 53 HD2 TYR 53 6.344 5.739 -14.525 399 HE1 TYR 53 HE1 TYR 53 8.638 8.014 -10.800 400 HE2 TYR 53 HE2 TYR 53 6.834 4.514 -12.456 401 HH TYR 53 HH TYR 53 8.498 4.655 -10.598 402 H LYS 54 H LYS 54 7.829 6.663 -17.492 403 HA LYS 54 HA LYS 54 9.572 4.852 -16.150 404 HB2 LYS 54 HB2 LYS 54 8.975 3.221 -17.889 405 HB3 LYS 54 HB3 LYS 54 7.548 4.050 -17.279 406 HG2 LYS 54 HG2 LYS 54 7.433 5.432 -19.281 407 HG3 LYS 54 HG3 LYS 54 8.941 4.745 -19.884 408 HD2 LYS 54 HD2 LYS 54 7.004 3.750 -21.025 409 HD3 LYS 54 HD3 LYS 54 7.881 2.536 -20.093 410 HE2 LYS 54 HE2 LYS 54 5.455 2.244 -19.861 411 HE3 LYS 54 HE3 LYS 54 6.177 2.672 -18.311 412 HZ1 LYS 54 HZ1 LYS 54 4.116 3.860 -18.740 413 HZ2 LYS 54 HZ2 LYS 54 4.781 4.553 -20.131 414 HZ3 LYS 54 HZ3 LYS 54 5.419 4.921 -18.611 415 H ILE 55 H ILE 55 10.043 6.941 -18.951 416 HA ILE 55 HA ILE 55 12.566 5.645 -19.700 417 HB ILE 55 HB ILE 55 12.706 7.260 -21.535 418 HG12 ILE 55 HG12 ILE 55 10.234 8.576 -20.297 419 HG13 ILE 55 HG13 ILE 55 11.833 9.294 -20.433 420 HG21 ILE 55 HG21 ILE 55 11.329 5.248 -21.876 421 HG22 ILE 55 HG22 ILE 55 10.683 6.605 -22.797 422 HG23 ILE 55 HG23 ILE 55 9.900 6.107 -21.296 423 HD11 ILE 55 HD11 ILE 55 9.931 8.666 -22.687 424 HD12 ILE 55 HD12 ILE 55 11.580 9.262 -22.903 425 HD13 ILE 55 HD13 ILE 55 10.386 10.254 -22.070 426 H ASN 56 H ASN 56 11.703 7.791 -17.315 427 HA ASN 56 HA ASN 56 12.630 9.441 -16.079 428 HB2 ASN 56 HB2 ASN 56 15.172 7.987 -16.913 429 HB3 ASN 56 HB3 ASN 56 15.166 9.291 -15.731 430 HD21 ASN 56 HD21 ASN 56 15.908 6.458 -15.419 431 HD22 ASN 56 HD22 ASN 56 14.922 5.872 -14.128 432 H ALA 57 H ALA 57 11.714 10.666 -18.007 433 HA ALA 57 HA ALA 57 13.478 11.789 -19.944 434 HB1 ALA 57 HB1 ALA 57 11.534 13.128 -20.632 435 HB2 ALA 57 HB2 ALA 57 10.658 12.617 -19.184 436 HB3 ALA 57 HB3 ALA 57 11.093 11.434 -20.416 437 H LYS 58 H LYS 58 13.717 14.069 -20.275 438 HA LYS 58 HA LYS 58 14.862 15.503 -18.160 439 HB2 LYS 58 HB2 LYS 58 14.871 17.403 -19.848 440 HB3 LYS 58 HB3 LYS 58 15.586 15.896 -20.418 441 HG2 LYS 58 HG2 LYS 58 13.339 15.382 -21.514 442 HG3 LYS 58 HG3 LYS 58 12.875 17.041 -21.153 443 HD2 LYS 58 HD2 LYS 58 15.252 16.222 -22.861 444 HD3 LYS 58 HD3 LYS 58 13.694 16.765 -23.479 445 HE2 LYS 58 HE2 LYS 58 14.042 18.954 -22.341 446 HE3 LYS 58 HE3 LYS 58 15.640 18.408 -21.827 447 HZ1 LYS 58 HZ1 LYS 58 14.728 18.692 -24.636 448 HZ2 LYS 58 HZ2 LYS 58 16.263 18.190 -24.144 449 HZ3 LYS 58 HZ3 LYS 58 15.750 19.766 -23.815 450 H LEU 59 H LEU 59 13.695 16.177 -16.455 451 HA LEU 59 HA LEU 59 11.115 17.470 -16.724 452 HB2 LEU 59 HB2 LEU 59 12.881 16.758 -14.385 453 HB3 LEU 59 HB3 LEU 59 11.713 18.051 -14.171 454 HG LEU 59 HG LEU 59 11.034 15.196 -14.972 455 HD11 LEU 59 HD11 LEU 59 11.711 15.356 -12.626 456 HD12 LEU 59 HD12 LEU 59 9.989 15.011 -12.767 457 HD13 LEU 59 HD13 LEU 59 10.532 16.643 -12.358 458 HD21 LEU 59 HD21 LEU 59 9.464 16.792 -16.001 459 HD22 LEU 59 HD22 LEU 59 9.168 17.537 -14.427 460 HD23 LEU 59 HD23 LEU 59 8.675 15.867 -14.725 461 H CYS 60 H CYS 60 10.714 19.611 -16.177 462 HA CYS 60 HA CYS 60 12.891 21.482 -16.930 463 HB2 CYS 60 HB2 CYS 60 10.883 21.228 -18.448 464 HB3 CYS 60 HB3 CYS 60 9.868 21.831 -17.140 465 H ASP 61 H ASP 61 12.491 20.412 -14.292 466 HA ASP 61 HA ASP 61 12.114 22.670 -12.580 467 HB2 ASP 61 HB2 ASP 61 10.094 21.664 -11.376 468 HB3 ASP 61 HB3 ASP 61 9.735 22.274 -12.987 469 HA PRO 62 HA PRO 62 14.484 19.900 -9.824 470 HB2 PRO 62 HB2 PRO 62 13.042 21.271 -7.571 471 HB3 PRO 62 HB3 PRO 62 14.780 21.076 -7.837 472 HG2 PRO 62 HG2 PRO 62 13.611 23.451 -8.239 473 HG3 PRO 62 HG3 PRO 62 14.886 22.874 -9.336 474 HD2 PRO 62 HD2 PRO 62 11.891 22.869 -9.748 475 HD3 PRO 62 HD3 PRO 62 13.183 23.298 -10.896 476 H HIS 63 H HIS 63 14.112 17.938 -8.849 477 HA HIS 63 HA HIS 63 11.570 16.688 -9.125 478 HB2 HIS 63 HB2 HIS 63 14.117 15.720 -7.755 479 HB3 HIS 63 HB3 HIS 63 12.723 14.698 -8.103 480 HD1 HIS 63 HD1 HIS 63 15.676 16.317 -9.735 481 HD2 HIS 63 HD2 HIS 63 12.421 13.978 -10.822 482 HE1 HIS 63 HE1 HIS 63 16.118 15.597 -12.094 483 HE2 HIS 63 HE2 HIS 63 14.078 14.303 -12.764 484 HA PRO 64 HA PRO 64 9.780 17.687 -5.142 485 HB2 PRO 64 HB2 PRO 64 7.794 15.818 -4.979 486 HB3 PRO 64 HB3 PRO 64 7.742 17.165 -6.125 487 HG2 PRO 64 HG2 PRO 64 8.566 14.305 -6.602 488 HG3 PRO 64 HG3 PRO 64 7.527 15.348 -7.599 489 HD2 PRO 64 HD2 PRO 64 10.172 14.918 -8.160 490 HD3 PRO 64 HD3 PRO 64 9.342 16.432 -8.569 Start of MODEL 14 1 H MET 1 H MET 1 5.847 2.232 -9.435 2 HA MET 1 HA MET 1 5.564 4.501 -10.054 3 HB2 MET 1 HB2 MET 1 3.477 5.383 -10.907 4 HB3 MET 1 HB3 MET 1 3.927 4.008 -11.899 5 HG2 MET 1 HG2 MET 1 1.796 4.039 -9.753 6 HG3 MET 1 HG3 MET 1 1.544 3.983 -11.499 7 HE1 MET 1 HE1 MET 1 0.417 0.402 -10.254 8 HE2 MET 1 HE2 MET 1 -0.066 1.805 -11.202 9 HE3 MET 1 HE3 MET 1 0.174 1.958 -9.459 10 H LYS 2 H LYS 2 4.257 2.206 -7.976 11 HA LYS 2 HA LYS 2 2.857 4.007 -6.169 12 HB2 LYS 2 HB2 LYS 2 3.498 1.042 -5.882 13 HB3 LYS 2 HB3 LYS 2 2.529 1.979 -4.749 14 HG2 LYS 2 HG2 LYS 2 0.896 2.437 -6.599 15 HG3 LYS 2 HG3 LYS 2 1.842 1.368 -7.638 16 HD2 LYS 2 HD2 LYS 2 -0.065 0.148 -6.705 17 HD3 LYS 2 HD3 LYS 2 1.450 -0.506 -6.078 18 HE2 LYS 2 HE2 LYS 2 1.117 0.752 -3.972 19 HE3 LYS 2 HE3 LYS 2 -0.392 1.409 -4.605 20 HZ1 LYS 2 HZ1 LYS 2 0.151 -1.472 -4.172 21 HZ2 LYS 2 HZ2 LYS 2 -1.314 -0.790 -4.663 22 HZ3 LYS 2 HZ3 LYS 2 -0.713 -0.479 -3.114 23 H ARG 3 H ARG 3 4.817 5.312 -6.006 24 HA ARG 3 HA ARG 3 6.003 4.807 -3.378 25 HB2 ARG 3 HB2 ARG 3 7.638 5.569 -5.844 26 HB3 ARG 3 HB3 ARG 3 8.195 5.933 -4.226 27 HG2 ARG 3 HG2 ARG 3 7.630 3.138 -5.250 28 HG3 ARG 3 HG3 ARG 3 9.226 3.889 -5.210 29 HD2 ARG 3 HD2 ARG 3 9.035 4.114 -2.741 30 HD3 ARG 3 HD3 ARG 3 7.465 3.303 -2.812 31 HE ARG 3 HE ARG 3 8.835 1.415 -3.905 32 HH11 ARG 3 HH11 ARG 3 10.060 3.449 -1.324 33 HH12 ARG 3 HH12 ARG 3 11.115 2.227 -0.697 34 HH21 ARG 3 HH21 ARG 3 10.223 -0.179 -3.077 35 HH22 ARG 3 HH22 ARG 3 11.199 0.170 -1.687 36 H ALA 4 H ALA 4 6.784 6.903 -2.439 37 HA ALA 4 HA ALA 4 4.800 8.905 -2.629 38 HB1 ALA 4 HB1 ALA 4 7.551 9.064 -1.344 39 HB2 ALA 4 HB2 ALA 4 6.072 8.495 -0.568 40 HB3 ALA 4 HB3 ALA 4 6.216 10.183 -1.061 41 H ALA 5 H ALA 5 8.286 9.128 -3.465 42 HA ALA 5 HA ALA 5 8.204 11.578 -4.833 43 HB1 ALA 5 HB1 ALA 5 10.418 10.963 -5.719 44 HB2 ALA 5 HB2 ALA 5 10.168 9.290 -5.209 45 HB3 ALA 5 HB3 ALA 5 10.291 10.572 -4.003 46 H ALA 6 H ALA 6 7.775 8.261 -5.980 47 HA ALA 6 HA ALA 6 7.833 8.588 -8.756 48 HB1 ALA 6 HB1 ALA 6 6.209 6.602 -7.135 49 HB2 ALA 6 HB2 ALA 6 7.890 6.403 -7.632 50 HB3 ALA 6 HB3 ALA 6 6.614 6.456 -8.849 51 H LYS 7 H LYS 7 5.110 8.750 -6.488 52 HA LYS 7 HA LYS 7 3.014 9.090 -8.330 53 HB2 LYS 7 HB2 LYS 7 2.769 8.450 -5.919 54 HB3 LYS 7 HB3 LYS 7 3.192 10.093 -5.452 55 HG2 LYS 7 HG2 LYS 7 0.794 9.790 -5.304 56 HG3 LYS 7 HG3 LYS 7 1.148 10.920 -6.615 57 HD2 LYS 7 HD2 LYS 7 0.850 9.070 -8.263 58 HD3 LYS 7 HD3 LYS 7 0.495 7.959 -6.938 59 HE2 LYS 7 HE2 LYS 7 -1.574 8.683 -7.999 60 HE3 LYS 7 HE3 LYS 7 -1.491 9.319 -6.356 61 HZ1 LYS 7 HZ1 LYS 7 -0.830 10.821 -8.821 62 HZ2 LYS 7 HZ2 LYS 7 -0.800 11.438 -7.249 63 HZ3 LYS 7 HZ3 LYS 7 -2.266 10.955 -7.944 64 H HIS 8 H HIS 8 4.839 11.460 -6.401 65 HA HIS 8 HA HIS 8 3.679 13.830 -7.338 66 HB2 HIS 8 HB2 HIS 8 6.464 13.283 -6.239 67 HB3 HIS 8 HB3 HIS 8 5.905 14.906 -6.629 68 HD1 HIS 8 HD1 HIS 8 5.298 16.078 -4.530 69 HD2 HIS 8 HD2 HIS 8 4.206 12.079 -4.386 70 HE1 HIS 8 HE1 HIS 8 4.222 15.742 -2.292 71 HE2 HIS 8 HE2 HIS 8 3.729 13.280 -2.171 72 H LEU 9 H LEU 9 6.332 11.909 -8.656 73 HA LEU 9 HA LEU 9 7.226 13.711 -10.642 74 HB2 LEU 9 HB2 LEU 9 7.745 10.892 -9.906 75 HB3 LEU 9 HB3 LEU 9 7.899 11.176 -11.626 76 HG LEU 9 HG LEU 9 10.068 11.334 -10.389 77 HD11 LEU 9 HD11 LEU 9 9.180 13.901 -11.724 78 HD12 LEU 9 HD12 LEU 9 9.812 12.461 -12.528 79 HD13 LEU 9 HD13 LEU 9 10.853 13.398 -11.458 80 HD21 LEU 9 HD21 LEU 9 8.872 13.816 -9.111 81 HD22 LEU 9 HD22 LEU 9 10.545 13.270 -8.973 82 HD23 LEU 9 HD23 LEU 9 9.248 12.302 -8.283 83 H ILE 10 H ILE 10 4.663 11.252 -10.682 84 HA ILE 10 HA ILE 10 4.090 11.370 -13.476 85 HB ILE 10 HB ILE 10 2.170 10.781 -11.170 86 HG12 ILE 10 HG12 ILE 10 3.741 8.807 -12.898 87 HG13 ILE 10 HG13 ILE 10 4.194 9.270 -11.263 88 HG21 ILE 10 HG21 ILE 10 0.790 9.592 -12.866 89 HG22 ILE 10 HG22 ILE 10 1.889 10.128 -14.137 90 HG23 ILE 10 HG23 ILE 10 0.937 11.311 -13.238 91 HD11 ILE 10 HD11 ILE 10 1.691 7.792 -12.068 92 HD12 ILE 10 HD12 ILE 10 2.099 8.286 -10.423 93 HD13 ILE 10 HD13 ILE 10 3.114 7.121 -11.271 94 H GLU 11 H GLU 11 2.757 13.158 -10.663 95 HA GLU 11 HA GLU 11 1.096 14.939 -12.124 96 HB2 GLU 11 HB2 GLU 11 2.286 15.115 -9.337 97 HB3 GLU 11 HB3 GLU 11 1.349 16.446 -10.009 98 HG2 GLU 11 HG2 GLU 11 -0.149 15.229 -8.663 99 HG3 GLU 11 HG3 GLU 11 -0.558 14.790 -10.317 100 H ARG 12 H ARG 12 4.548 14.981 -11.519 101 HA ARG 12 HA ARG 12 5.036 17.736 -12.050 102 HB2 ARG 12 HB2 ARG 12 6.845 15.299 -12.185 103 HB3 ARG 12 HB3 ARG 12 7.421 16.923 -12.501 104 HG2 ARG 12 HG2 ARG 12 6.342 15.893 -9.868 105 HG3 ARG 12 HG3 ARG 12 8.024 16.226 -10.260 106 HD2 ARG 12 HD2 ARG 12 7.316 18.087 -8.998 107 HD3 ARG 12 HD3 ARG 12 7.292 18.646 -10.669 108 HE ARG 12 HE ARG 12 4.751 17.623 -9.697 109 HH11 ARG 12 HH11 ARG 12 6.736 20.532 -10.002 110 HH12 ARG 12 HH12 ARG 12 5.372 21.602 -9.917 111 HH21 ARG 12 HH21 ARG 12 3.003 19.036 -9.585 112 HH22 ARG 12 HH22 ARG 12 3.249 20.747 -9.672 113 H TYR 13 H TYR 13 5.463 14.818 -14.076 114 HA TYR 13 HA TYR 13 6.100 16.242 -16.452 115 HB2 TYR 13 HB2 TYR 13 5.242 13.372 -15.965 116 HB3 TYR 13 HB3 TYR 13 5.614 13.976 -17.574 117 HD1 TYR 13 HD1 TYR 13 8.006 15.141 -17.848 118 HD2 TYR 13 HD2 TYR 13 7.022 12.441 -14.676 119 HE1 TYR 13 HE1 TYR 13 10.398 14.663 -17.504 120 HE2 TYR 13 HE2 TYR 13 9.404 11.979 -14.337 121 HH TYR 13 HH TYR 13 11.895 13.824 -15.851 122 H TYR 14 H TYR 14 3.047 15.036 -15.135 123 HA TYR 14 HA TYR 14 1.364 15.521 -17.345 124 HB2 TYR 14 HB2 TYR 14 0.587 14.192 -15.445 125 HB3 TYR 14 HB3 TYR 14 0.760 15.561 -14.357 126 HD1 TYR 14 HD1 TYR 14 -1.320 14.117 -17.078 127 HD2 TYR 14 HD2 TYR 14 -0.980 17.301 -14.244 128 HE1 TYR 14 HE1 TYR 14 -3.662 14.721 -17.470 129 HE2 TYR 14 HE2 TYR 14 -3.319 17.904 -14.641 130 HH TYR 14 HH TYR 14 -5.476 15.879 -16.309 131 H HIS 15 H HIS 15 2.109 17.577 -14.525 132 HA HIS 15 HA HIS 15 0.596 19.843 -15.331 133 HB2 HIS 15 HB2 HIS 15 1.438 19.239 -12.961 134 HB3 HIS 15 HB3 HIS 15 2.983 19.912 -13.443 135 HD1 HIS 15 HD1 HIS 15 2.929 22.563 -14.036 136 HD2 HIS 15 HD2 HIS 15 -0.415 21.075 -12.080 137 HE1 HIS 15 HE1 HIS 15 1.760 24.560 -13.082 138 HE2 HIS 15 HE2 HIS 15 -0.369 23.655 -12.106 139 H GLN 16 H GLN 16 3.787 18.708 -16.084 140 HA GLN 16 HA GLN 16 4.899 21.083 -17.188 141 HB2 GLN 16 HB2 GLN 16 6.360 19.282 -16.492 142 HB3 GLN 16 HB3 GLN 16 5.538 18.131 -17.537 143 HG2 GLN 16 HG2 GLN 16 6.438 19.203 -19.519 144 HG3 GLN 16 HG3 GLN 16 7.160 20.483 -18.548 145 HE21 GLN 16 HE21 GLN 16 7.405 17.100 -19.461 146 HE22 GLN 16 HE22 GLN 16 9.018 16.866 -18.881 147 H LEU 17 H LEU 17 3.002 18.403 -18.530 148 HA LEU 17 HA LEU 17 3.286 19.239 -21.292 149 HB2 LEU 17 HB2 LEU 17 1.546 17.142 -19.954 150 HB3 LEU 17 HB3 LEU 17 1.638 17.369 -21.694 151 HG LEU 17 HG LEU 17 4.102 16.733 -20.044 152 HD11 LEU 17 HD11 LEU 17 2.521 14.930 -19.630 153 HD12 LEU 17 HD12 LEU 17 3.846 14.371 -20.650 154 HD13 LEU 17 HD13 LEU 17 2.272 14.725 -21.367 155 HD21 LEU 17 HD21 LEU 17 4.534 17.639 -22.289 156 HD22 LEU 17 HD22 LEU 17 3.525 16.380 -23.004 157 HD23 LEU 17 HD23 LEU 17 5.026 15.949 -22.185 158 H THR 18 H THR 18 0.778 19.478 -18.799 159 HA THR 18 HA THR 18 -1.235 20.504 -20.613 160 HB THR 18 HB THR 18 -2.637 20.731 -18.526 161 HG1 THR 18 HG1 THR 18 -1.682 20.700 -16.658 162 HG21 THR 18 HG21 THR 18 -2.856 18.316 -18.062 163 HG22 THR 18 HG22 THR 18 -1.309 18.012 -18.855 164 HG23 THR 18 HG23 THR 18 -2.679 18.612 -19.793 165 H GLU 19 H GLU 19 0.451 21.819 -17.735 166 HA GLU 19 HA GLU 19 -0.581 24.519 -18.284 167 HB2 GLU 19 HB2 GLU 19 1.088 23.617 -15.904 168 HB3 GLU 19 HB3 GLU 19 0.069 25.042 -16.015 169 HG2 GLU 19 HG2 GLU 19 -0.878 22.168 -15.904 170 HG3 GLU 19 HG3 GLU 19 -0.949 23.341 -14.589 171 H GLY 20 H GLY 20 2.461 22.775 -17.920 172 HA2 GLY 20 HA2 GLY 20 4.491 23.225 -18.990 173 HA3 GLY 20 HA3 GLY 20 3.957 24.863 -19.333 174 H CYS 21 H CYS 21 5.932 25.644 -18.585 175 HA CYS 21 HA CYS 21 6.216 25.758 -15.635 176 HB2 CYS 21 HB2 CYS 21 8.699 26.004 -16.008 177 HB3 CYS 21 HB3 CYS 21 8.054 24.443 -16.504 178 H GLY 22 H GLY 22 5.214 27.565 -18.160 179 HA2 GLY 22 HA2 GLY 22 4.714 29.826 -18.240 180 HA3 GLY 22 HA3 GLY 22 5.726 30.104 -16.832 181 H ASN 23 H ASN 23 8.148 29.274 -17.573 182 HA ASN 23 HA ASN 23 9.384 31.200 -19.085 183 HB2 ASN 23 HB2 ASN 23 10.682 29.951 -17.552 184 HB3 ASN 23 HB3 ASN 23 10.144 28.414 -18.188 185 HD21 ASN 23 HD21 ASN 23 12.211 31.178 -18.922 186 HD22 ASN 23 HD22 ASN 23 13.319 30.301 -19.901 187 H GLU 24 H GLU 24 9.126 31.690 -21.179 188 HA GLU 24 HA GLU 24 8.067 29.869 -23.135 189 HB2 GLU 24 HB2 GLU 24 8.250 31.747 -24.723 190 HB3 GLU 24 HB3 GLU 24 7.469 32.247 -23.230 191 HG2 GLU 24 HG2 GLU 24 9.428 33.437 -22.499 192 HG3 GLU 24 HG3 GLU 24 10.405 32.752 -23.796 193 H ALA 25 H ALA 25 11.245 31.028 -22.282 194 HA ALA 25 HA ALA 25 12.579 29.944 -24.654 195 HB1 ALA 25 HB1 ALA 25 13.331 32.095 -23.701 196 HB2 ALA 25 HB2 ALA 25 14.616 30.890 -23.624 197 HB3 ALA 25 HB3 ALA 25 13.703 31.297 -22.169 198 H CYS 26 H CYS 26 11.227 27.974 -23.380 199 HA CYS 26 HA CYS 26 12.842 26.567 -21.440 200 HB2 CYS 26 HB2 CYS 26 10.460 26.541 -21.083 201 HB3 CYS 26 HB3 CYS 26 10.147 25.971 -22.718 202 H THR 27 H THR 27 14.192 24.869 -21.898 203 HA THR 27 HA THR 27 14.742 24.291 -24.709 204 HB THR 27 HB THR 27 16.559 24.983 -23.135 205 HG1 THR 27 HG1 THR 27 17.337 23.945 -24.872 206 HG21 THR 27 HG21 THR 27 17.510 23.361 -21.538 207 HG22 THR 27 HG22 THR 27 16.197 22.240 -21.889 208 HG23 THR 27 HG23 THR 27 15.853 23.775 -21.088 209 H ASN 28 H ASN 28 12.334 23.077 -23.376 210 HA ASN 28 HA ASN 28 12.933 20.184 -23.649 211 HB2 ASN 28 HB2 ASN 28 12.640 20.940 -21.246 212 HB3 ASN 28 HB3 ASN 28 11.007 21.458 -21.647 213 HD21 ASN 28 HD21 ASN 28 11.584 19.623 -19.638 214 HD22 ASN 28 HD22 ASN 28 10.924 18.091 -20.083 215 H GLU 29 H GLU 29 11.884 19.547 -25.489 216 HA GLU 29 HA GLU 29 9.681 20.925 -26.687 217 HB2 GLU 29 HB2 GLU 29 9.705 19.072 -28.334 218 HB3 GLU 29 HB3 GLU 29 11.317 19.718 -28.047 219 HG2 GLU 29 HG2 GLU 29 11.738 17.792 -26.469 220 HG3 GLU 29 HG3 GLU 29 10.183 17.121 -26.955 221 H PHE 30 H PHE 30 9.901 18.313 -24.417 222 HA PHE 30 HA PHE 30 7.120 17.421 -24.686 223 HB2 PHE 30 HB2 PHE 30 9.352 16.537 -22.784 224 HB3 PHE 30 HB3 PHE 30 7.770 15.771 -22.919 225 HD1 PHE 30 HD1 PHE 30 7.113 14.937 -25.360 226 HD2 PHE 30 HD2 PHE 30 11.129 15.619 -24.027 227 HE1 PHE 30 HE1 PHE 30 7.969 13.449 -27.126 228 HE2 PHE 30 HE2 PHE 30 11.965 14.127 -25.791 229 HZ PHE 30 HZ PHE 30 10.390 13.037 -27.340 230 H CYS 31 H CYS 31 7.122 20.064 -24.075 231 HA CYS 31 HA CYS 31 6.106 20.258 -21.351 232 HB2 CYS 31 HB2 CYS 31 8.589 20.586 -21.142 233 HB3 CYS 31 HB3 CYS 31 8.494 21.922 -22.270 234 H ALA 32 H ALA 32 4.359 21.629 -21.458 235 HA ALA 32 HA ALA 32 3.854 23.449 -23.589 236 HB1 ALA 32 HB1 ALA 32 2.022 22.549 -22.220 237 HB2 ALA 32 HB2 ALA 32 2.032 24.314 -22.135 238 HB3 ALA 32 HB3 ALA 32 2.657 23.360 -20.790 239 H SER 33 H SER 33 3.570 25.875 -23.070 240 HA SER 33 HA SER 33 4.606 27.867 -22.906 241 HB2 SER 33 HB2 SER 33 6.568 26.697 -20.886 242 HB3 SER 33 HB3 SER 33 6.212 28.400 -21.153 243 HG SER 33 HG SER 33 4.023 26.862 -20.536 244 H CYS 34 H CYS 34 5.857 25.144 -24.214 245 HA CYS 34 HA CYS 34 8.198 26.501 -25.380 246 HB2 CYS 34 HB2 CYS 34 7.412 23.560 -25.441 247 HB3 CYS 34 HB3 CYS 34 8.902 24.247 -26.090 248 HG CYS 34 HG CYS 34 10.179 23.739 -23.964 249 HA PRO 35 HA PRO 35 5.685 27.113 -29.162 250 HB2 PRO 35 HB2 PRO 35 7.870 27.585 -30.854 251 HB3 PRO 35 HB3 PRO 35 7.097 28.820 -29.855 252 HG2 PRO 35 HG2 PRO 35 9.567 27.195 -29.284 253 HG3 PRO 35 HG3 PRO 35 9.283 28.929 -29.015 254 HD2 PRO 35 HD2 PRO 35 9.159 27.183 -26.974 255 HD3 PRO 35 HD3 PRO 35 8.018 28.544 -27.068 256 H THR 36 H THR 36 8.428 24.888 -28.875 257 HA THR 36 HA THR 36 7.831 23.364 -31.260 258 HB THR 36 HB THR 36 9.608 21.781 -30.307 259 HG1 THR 36 HG1 THR 36 10.758 22.524 -28.515 260 HG21 THR 36 HG21 THR 36 10.193 23.559 -31.926 261 HG22 THR 36 HG22 THR 36 11.484 23.311 -30.748 262 HG23 THR 36 HG23 THR 36 10.405 24.699 -30.594 263 H PHE 37 H PHE 37 6.285 23.454 -28.296 264 HA PHE 37 HA PHE 37 5.664 20.604 -28.114 265 HB2 PHE 37 HB2 PHE 37 5.942 21.896 -26.030 266 HB3 PHE 37 HB3 PHE 37 4.619 22.967 -26.487 267 HD1 PHE 37 HD1 PHE 37 5.365 19.340 -25.851 268 HD2 PHE 37 HD2 PHE 37 2.423 22.448 -25.724 269 HE1 PHE 37 HE1 PHE 37 3.793 17.815 -24.744 270 HE2 PHE 37 HE2 PHE 37 0.862 20.914 -24.613 271 HZ PHE 37 HZ PHE 37 1.544 18.599 -24.121 272 H LEU 38 H LEU 38 4.078 19.716 -29.306 273 HA LEU 38 HA LEU 38 1.894 21.258 -30.454 274 HB2 LEU 38 HB2 LEU 38 3.053 19.276 -31.569 275 HB3 LEU 38 HB3 LEU 38 2.272 18.236 -30.389 276 HG LEU 38 HG LEU 38 0.030 19.033 -31.267 277 HD11 LEU 38 HD11 LEU 38 1.684 20.357 -33.448 278 HD12 LEU 38 HD12 LEU 38 0.716 21.185 -32.226 279 HD13 LEU 38 HD13 LEU 38 -0.074 20.186 -33.442 280 HD21 LEU 38 HD21 LEU 38 1.826 17.692 -33.330 281 HD22 LEU 38 HD22 LEU 38 0.060 17.679 -33.328 282 HD23 LEU 38 HD23 LEU 38 0.943 16.881 -32.031 283 H ARG 39 H ARG 39 0.045 21.663 -29.327 284 HA ARG 39 HA ARG 39 -0.248 20.917 -26.647 285 HB2 ARG 39 HB2 ARG 39 -1.371 22.857 -28.304 286 HB3 ARG 39 HB3 ARG 39 -2.752 21.830 -27.976 287 HG2 ARG 39 HG2 ARG 39 -1.007 23.154 -25.882 288 HG3 ARG 39 HG3 ARG 39 -2.580 23.734 -26.413 289 HD2 ARG 39 HD2 ARG 39 -3.654 21.699 -25.522 290 HD3 ARG 39 HD3 ARG 39 -2.079 21.079 -25.015 291 HE ARG 39 HE ARG 39 -2.448 23.609 -23.858 292 HH11 ARG 39 HH11 ARG 39 -3.814 20.372 -23.546 293 HH12 ARG 39 HH12 ARG 39 -4.257 20.603 -21.885 294 HH21 ARG 39 HH21 ARG 39 -3.030 23.870 -21.692 295 HH22 ARG 39 HH22 ARG 39 -3.811 22.583 -20.835 296 H MET 40 H MET 40 -1.012 19.123 -25.780 297 HA MET 40 HA MET 40 -2.774 17.259 -27.274 298 HB2 MET 40 HB2 MET 40 -1.854 15.504 -25.759 299 HB3 MET 40 HB3 MET 40 -0.591 16.293 -26.693 300 HG2 MET 40 HG2 MET 40 0.031 17.653 -24.736 301 HG3 MET 40 HG3 MET 40 -1.249 16.890 -23.792 302 HE1 MET 40 HE1 MET 40 2.248 16.285 -25.600 303 HE2 MET 40 HE2 MET 40 1.194 15.116 -26.399 304 HE3 MET 40 HE3 MET 40 2.466 14.558 -25.314 305 H ASP 41 H ASP 41 -4.402 16.142 -25.987 306 HA ASP 41 HA ASP 41 -5.874 17.719 -24.104 307 HB2 ASP 41 HB2 ASP 41 -6.099 14.804 -24.983 308 HB3 ASP 41 HB3 ASP 41 -7.188 15.504 -23.786 309 H ASN 42 H ASN 42 -6.472 16.873 -21.897 310 HA ASN 42 HA ASN 42 -4.161 16.464 -20.272 311 HB2 ASN 42 HB2 ASN 42 -7.119 16.241 -19.552 312 HB3 ASN 42 HB3 ASN 42 -5.805 16.234 -18.379 313 HD21 ASN 42 HD21 ASN 42 -6.372 18.099 -17.297 314 HD22 ASN 42 HD22 ASN 42 -6.401 19.670 -18.023 315 H ASN 43 H ASN 43 -6.657 14.308 -21.552 316 HA ASN 43 HA ASN 43 -5.960 11.909 -20.235 317 HB2 ASN 43 HB2 ASN 43 -7.119 12.405 -23.014 318 HB3 ASN 43 HB3 ASN 43 -6.922 10.793 -22.339 319 HD21 ASN 43 HD21 ASN 43 -9.369 12.206 -23.164 320 HD22 ASN 43 HD22 ASN 43 -10.390 12.202 -21.769 321 H ALA 44 H ALA 44 -4.811 13.315 -23.296 322 HA ALA 44 HA ALA 44 -2.953 11.259 -23.970 323 HB1 ALA 44 HB1 ALA 44 -3.919 12.760 -25.661 324 HB2 ALA 44 HB2 ALA 44 -2.158 12.844 -25.683 325 HB3 ALA 44 HB3 ALA 44 -3.094 14.141 -24.935 326 H ALA 45 H ALA 45 -2.786 14.181 -22.060 327 HA ALA 45 HA ALA 45 0.083 14.293 -21.808 328 HB1 ALA 45 HB1 ALA 45 -1.275 16.340 -21.714 329 HB2 ALA 45 HB2 ALA 45 -0.356 16.122 -20.223 330 HB3 ALA 45 HB3 ALA 45 -2.082 15.750 -20.261 331 H ALA 46 H ALA 46 -2.557 12.760 -20.107 332 HA ALA 46 HA ALA 46 -1.146 12.155 -17.688 333 HB1 ALA 46 HB1 ALA 46 -3.602 12.214 -17.757 334 HB2 ALA 46 HB2 ALA 46 -3.028 10.636 -17.215 335 HB3 ALA 46 HB3 ALA 46 -3.623 10.842 -18.866 336 H ILE 47 H ILE 47 -1.900 10.329 -20.667 337 HA ILE 47 HA ILE 47 -0.468 7.967 -20.099 338 HB ILE 47 HB ILE 47 -0.969 9.273 -22.817 339 HG12 ILE 47 HG12 ILE 47 -3.082 8.764 -21.626 340 HG13 ILE 47 HG13 ILE 47 -2.889 7.706 -23.017 341 HG21 ILE 47 HG21 ILE 47 -0.586 7.007 -23.803 342 HG22 ILE 47 HG22 ILE 47 -0.095 6.415 -22.215 343 HG23 ILE 47 HG23 ILE 47 0.860 7.659 -23.024 344 HD11 ILE 47 HD11 ILE 47 -2.371 6.958 -20.141 345 HD12 ILE 47 HD12 ILE 47 -2.173 5.893 -21.533 346 HD13 ILE 47 HD13 ILE 47 -3.774 6.497 -21.108 347 H LYS 48 H LYS 48 0.488 10.948 -21.803 348 HA LYS 48 HA LYS 48 3.152 10.154 -22.379 349 HB2 LYS 48 HB2 LYS 48 1.821 11.911 -23.632 350 HB3 LYS 48 HB3 LYS 48 2.057 12.999 -22.270 351 HG2 LYS 48 HG2 LYS 48 3.644 13.546 -24.006 352 HG3 LYS 48 HG3 LYS 48 4.518 12.873 -22.624 353 HD2 LYS 48 HD2 LYS 48 4.592 10.660 -23.797 354 HD3 LYS 48 HD3 LYS 48 3.779 11.396 -25.182 355 HE2 LYS 48 HE2 LYS 48 5.683 12.983 -25.408 356 HE3 LYS 48 HE3 LYS 48 6.508 12.146 -24.094 357 HZ1 LYS 48 HZ1 LYS 48 7.301 11.405 -26.226 358 HZ2 LYS 48 HZ2 LYS 48 5.736 10.979 -26.707 359 HZ3 LYS 48 HZ3 LYS 48 6.493 10.137 -25.453 360 H ALA 49 H ALA 49 1.649 11.649 -19.568 361 HA ALA 49 HA ALA 49 3.949 12.570 -18.210 362 HB1 ALA 49 HB1 ALA 49 1.674 13.112 -17.425 363 HB2 ALA 49 HB2 ALA 49 2.635 12.388 -16.136 364 HB3 ALA 49 HB3 ALA 49 1.411 11.426 -16.976 365 H LEU 50 H LEU 50 2.320 9.404 -18.204 366 HA LEU 50 HA LEU 50 4.214 8.113 -16.501 367 HB2 LEU 50 HB2 LEU 50 2.010 7.113 -18.309 368 HB3 LEU 50 HB3 LEU 50 3.153 5.964 -17.646 369 HG LEU 50 HG LEU 50 1.167 5.947 -16.272 370 HD11 LEU 50 HD11 LEU 50 3.277 5.649 -15.086 371 HD12 LEU 50 HD12 LEU 50 2.084 6.436 -14.058 372 HD13 LEU 50 HD13 LEU 50 3.381 7.387 -14.788 373 HD21 LEU 50 HD21 LEU 50 0.236 8.132 -16.808 374 HD22 LEU 50 HD22 LEU 50 1.511 8.933 -15.887 375 HD23 LEU 50 HD23 LEU 50 0.331 7.913 -15.062 376 H GLU 51 H GLU 51 4.061 8.570 -20.029 377 HA GLU 51 HA GLU 51 6.106 6.725 -20.753 378 HB2 GLU 51 HB2 GLU 51 5.286 9.296 -22.162 379 HB3 GLU 51 HB3 GLU 51 6.262 8.023 -22.877 380 HG2 GLU 51 HG2 GLU 51 3.388 7.724 -21.975 381 HG3 GLU 51 HG3 GLU 51 3.896 7.983 -23.635 382 H LEU 52 H LEU 52 6.176 10.222 -20.135 383 HA LEU 52 HA LEU 52 8.987 10.571 -20.396 384 HB2 LEU 52 HB2 LEU 52 6.927 12.288 -18.976 385 HB3 LEU 52 HB3 LEU 52 8.582 12.773 -19.297 386 HG LEU 52 HG LEU 52 6.471 12.211 -21.415 387 HD11 LEU 52 HD11 LEU 52 6.035 14.295 -20.210 388 HD12 LEU 52 HD12 LEU 52 6.558 14.626 -21.860 389 HD13 LEU 52 HD13 LEU 52 7.686 14.840 -20.521 390 HD21 LEU 52 HD21 LEU 52 9.337 13.163 -21.773 391 HD22 LEU 52 HD22 LEU 52 8.121 13.056 -23.047 392 HD23 LEU 52 HD23 LEU 52 8.692 11.591 -22.257 393 H TYR 53 H TYR 53 6.917 9.696 -17.734 394 HA TYR 53 HA TYR 53 8.789 10.051 -15.622 395 HB2 TYR 53 HB2 TYR 53 6.497 9.976 -14.974 396 HB3 TYR 53 HB3 TYR 53 6.190 8.496 -15.880 397 HD1 TYR 53 HD1 TYR 53 8.410 9.666 -13.044 398 HD2 TYR 53 HD2 TYR 53 5.957 6.525 -14.612 399 HE1 TYR 53 HE1 TYR 53 8.877 8.298 -11.063 400 HE2 TYR 53 HE2 TYR 53 6.427 5.175 -12.625 401 HH TYR 53 HH TYR 53 8.218 6.447 -9.933 402 H LYS 54 H LYS 54 7.848 7.163 -17.568 403 HA LYS 54 HA LYS 54 9.413 5.327 -16.030 404 HB2 LYS 54 HB2 LYS 54 8.800 3.637 -17.689 405 HB3 LYS 54 HB3 LYS 54 7.390 4.605 -17.286 406 HG2 LYS 54 HG2 LYS 54 7.680 5.891 -19.392 407 HG3 LYS 54 HG3 LYS 54 9.071 4.888 -19.800 408 HD2 LYS 54 HD2 LYS 54 7.085 4.138 -21.023 409 HD3 LYS 54 HD3 LYS 54 7.615 2.894 -19.893 410 HE2 LYS 54 HE2 LYS 54 5.813 3.435 -18.364 411 HE3 LYS 54 HE3 LYS 54 5.352 4.841 -19.329 412 HZ1 LYS 54 HZ1 LYS 54 3.905 2.939 -19.721 413 HZ2 LYS 54 HZ2 LYS 54 5.226 2.017 -20.240 414 HZ3 LYS 54 HZ3 LYS 54 4.738 3.375 -21.125 415 H ILE 55 H ILE 55 10.041 7.244 -18.909 416 HA ILE 55 HA ILE 55 12.589 5.934 -19.488 417 HB ILE 55 HB ILE 55 12.822 7.510 -21.332 418 HG12 ILE 55 HG12 ILE 55 10.367 8.932 -20.190 419 HG13 ILE 55 HG13 ILE 55 11.994 9.591 -20.297 420 HG21 ILE 55 HG21 ILE 55 10.809 6.917 -22.660 421 HG22 ILE 55 HG22 ILE 55 9.953 6.477 -21.181 422 HG23 ILE 55 HG23 ILE 55 11.359 5.543 -21.698 423 HD11 ILE 55 HD11 ILE 55 10.117 8.993 -22.574 424 HD12 ILE 55 HD12 ILE 55 11.794 9.514 -22.772 425 HD13 ILE 55 HD13 ILE 55 10.629 10.575 -21.981 426 H ASN 56 H ASN 56 11.483 8.378 -17.395 427 HA ASN 56 HA ASN 56 12.356 10.015 -16.117 428 HB2 ASN 56 HB2 ASN 56 14.966 8.500 -16.517 429 HB3 ASN 56 HB3 ASN 56 14.722 9.774 -15.328 430 HD21 ASN 56 HD21 ASN 56 12.092 8.946 -14.471 431 HD22 ASN 56 HD22 ASN 56 12.290 7.473 -13.597 432 H ALA 57 H ALA 57 11.763 11.242 -18.078 433 HA ALA 57 HA ALA 57 13.798 12.195 -19.902 434 HB1 ALA 57 HB1 ALA 57 11.952 13.477 -20.896 435 HB2 ALA 57 HB2 ALA 57 10.909 13.066 -19.533 436 HB3 ALA 57 HB3 ALA 57 11.464 11.802 -20.630 437 H LYS 58 H LYS 58 13.524 14.724 -20.348 438 HA LYS 58 HA LYS 58 14.628 16.191 -18.186 439 HB2 LYS 58 HB2 LYS 58 13.379 17.244 -20.763 440 HB3 LYS 58 HB3 LYS 58 14.410 18.162 -19.666 441 HG2 LYS 58 HG2 LYS 58 16.247 16.485 -20.121 442 HG3 LYS 58 HG3 LYS 58 15.199 15.778 -21.352 443 HD2 LYS 58 HD2 LYS 58 16.254 18.629 -21.344 444 HD3 LYS 58 HD3 LYS 58 16.859 17.309 -22.339 445 HE2 LYS 58 HE2 LYS 58 14.556 17.164 -23.382 446 HE3 LYS 58 HE3 LYS 58 14.143 18.649 -22.522 447 HZ1 LYS 58 HZ1 LYS 58 16.329 18.317 -24.504 448 HZ2 LYS 58 HZ2 LYS 58 15.993 19.742 -23.658 449 HZ3 LYS 58 HZ3 LYS 58 14.867 19.133 -24.755 450 H LEU 59 H LEU 59 13.639 17.293 -16.594 451 HA LEU 59 HA LEU 59 10.710 17.728 -16.717 452 HB2 LEU 59 HB2 LEU 59 11.379 15.920 -15.146 453 HB3 LEU 59 HB3 LEU 59 12.440 17.042 -14.302 454 HG LEU 59 HG LEU 59 10.445 18.411 -13.657 455 HD11 LEU 59 HD11 LEU 59 8.806 16.172 -14.912 456 HD12 LEU 59 HD12 LEU 59 8.983 17.807 -15.560 457 HD13 LEU 59 HD13 LEU 59 8.174 17.562 -14.020 458 HD21 LEU 59 HD21 LEU 59 9.555 16.865 -11.959 459 HD22 LEU 59 HD22 LEU 59 11.302 16.700 -12.097 460 HD23 LEU 59 HD23 LEU 59 10.245 15.489 -12.827 461 H CYS 60 H CYS 60 9.967 19.708 -16.021 462 HA CYS 60 HA CYS 60 11.929 21.769 -15.185 463 HB2 CYS 60 HB2 CYS 60 9.121 22.106 -16.299 464 HB3 CYS 60 HB3 CYS 60 10.213 23.414 -15.866 465 H ASP 61 H ASP 61 11.999 21.875 -13.041 466 HA ASP 61 HA ASP 61 9.500 22.107 -11.472 467 HB2 ASP 61 HB2 ASP 61 10.442 20.809 -9.646 468 HB3 ASP 61 HB3 ASP 61 10.569 19.837 -11.105 469 HA PRO 62 HA PRO 62 11.456 25.886 -9.950 470 HB2 PRO 62 HB2 PRO 62 10.374 25.307 -7.212 471 HB3 PRO 62 HB3 PRO 62 10.081 26.699 -8.263 472 HG2 PRO 62 HG2 PRO 62 8.172 24.843 -7.881 473 HG3 PRO 62 HG3 PRO 62 8.400 25.603 -9.472 474 HD2 PRO 62 HD2 PRO 62 9.336 22.891 -8.520 475 HD3 PRO 62 HD3 PRO 62 8.574 23.334 -10.067 476 H HIS 63 H HIS 63 13.606 25.970 -9.589 477 HA HIS 63 HA HIS 63 14.880 24.221 -7.551 478 HB2 HIS 63 HB2 HIS 63 15.664 23.864 -9.900 479 HB3 HIS 63 HB3 HIS 63 16.112 25.556 -10.015 480 HD1 HIS 63 HD1 HIS 63 17.328 22.271 -8.819 481 HD2 HIS 63 HD2 HIS 63 18.494 26.245 -8.508 482 HE1 HIS 63 HE1 HIS 63 19.688 22.222 -7.988 483 HE2 HIS 63 HE2 HIS 63 20.428 24.622 -7.966 484 HA PRO 64 HA PRO 64 15.237 28.503 -5.751 485 HB2 PRO 64 HB2 PRO 64 14.891 27.818 -3.128 486 HB3 PRO 64 HB3 PRO 64 13.534 28.054 -4.236 487 HG2 PRO 64 HG2 PRO 64 14.796 25.481 -3.320 488 HG3 PRO 64 HG3 PRO 64 13.075 25.870 -3.529 489 HD2 PRO 64 HD2 PRO 64 14.556 24.466 -5.386 490 HD3 PRO 64 HD3 PRO 64 13.130 25.432 -5.806 Start of MODEL 15 1 H MET 1 H MET 1 9.487 4.297 0.351 2 HA MET 1 HA MET 1 7.334 6.189 1.097 3 HB2 MET 1 HB2 MET 1 10.376 6.441 1.206 4 HB3 MET 1 HB3 MET 1 9.255 7.764 1.522 5 HG2 MET 1 HG2 MET 1 8.359 6.584 3.466 6 HG3 MET 1 HG3 MET 1 9.406 5.201 3.134 7 HE1 MET 1 HE1 MET 1 10.269 5.317 5.682 8 HE2 MET 1 HE2 MET 1 9.257 6.731 5.996 9 HE3 MET 1 HE3 MET 1 10.974 6.767 6.396 10 H LYS 2 H LYS 2 9.116 4.821 -1.438 11 HA LYS 2 HA LYS 2 9.311 7.102 -3.184 12 HB2 LYS 2 HB2 LYS 2 10.894 5.154 -3.247 13 HB3 LYS 2 HB3 LYS 2 9.581 4.131 -3.821 14 HG2 LYS 2 HG2 LYS 2 9.423 5.558 -5.880 15 HG3 LYS 2 HG3 LYS 2 10.797 6.502 -5.301 16 HD2 LYS 2 HD2 LYS 2 11.524 4.826 -6.968 17 HD3 LYS 2 HD3 LYS 2 12.237 4.500 -5.387 18 HE2 LYS 2 HE2 LYS 2 10.418 2.798 -4.995 19 HE3 LYS 2 HE3 LYS 2 9.895 3.056 -6.661 20 HZ1 LYS 2 HZ1 LYS 2 11.385 1.123 -6.355 21 HZ2 LYS 2 HZ2 LYS 2 12.621 2.178 -5.880 22 HZ3 LYS 2 HZ3 LYS 2 11.997 2.262 -7.447 23 H ARG 3 H ARG 3 6.663 5.119 -2.280 24 HA ARG 3 HA ARG 3 5.097 5.139 -4.649 25 HB2 ARG 3 HB2 ARG 3 4.564 3.881 -2.517 26 HB3 ARG 3 HB3 ARG 3 4.110 5.397 -1.767 27 HG2 ARG 3 HG2 ARG 3 2.689 4.264 -4.201 28 HG3 ARG 3 HG3 ARG 3 2.220 3.884 -2.548 29 HD2 ARG 3 HD2 ARG 3 2.068 6.561 -3.957 30 HD3 ARG 3 HD3 ARG 3 0.744 5.597 -3.296 31 HE ARG 3 HE ARG 3 2.737 6.534 -1.380 32 HH11 ARG 3 HH11 ARG 3 -0.489 6.987 -2.702 33 HH12 ARG 3 HH12 ARG 3 -0.924 8.188 -1.530 34 HH21 ARG 3 HH21 ARG 3 2.143 8.129 0.125 35 HH22 ARG 3 HH22 ARG 3 0.561 8.829 0.060 36 H ALA 4 H ALA 4 5.436 7.474 -1.990 37 HA ALA 4 HA ALA 4 3.688 9.475 -2.985 38 HB1 ALA 4 HB1 ALA 4 4.349 9.365 -0.617 39 HB2 ALA 4 HB2 ALA 4 4.744 10.941 -1.304 40 HB3 ALA 4 HB3 ALA 4 6.019 9.744 -1.048 41 H ALA 5 H ALA 5 7.204 8.952 -3.230 42 HA ALA 5 HA ALA 5 7.895 11.323 -4.626 43 HB1 ALA 5 HB1 ALA 5 9.334 8.649 -4.597 44 HB2 ALA 5 HB2 ALA 5 9.544 9.949 -3.421 45 HB3 ALA 5 HB3 ALA 5 10.021 10.195 -5.102 46 H ALA 6 H ALA 6 6.870 8.136 -5.727 47 HA ALA 6 HA ALA 6 7.342 8.449 -8.523 48 HB1 ALA 6 HB1 ALA 6 7.100 6.225 -7.511 49 HB2 ALA 6 HB2 ALA 6 5.890 6.463 -8.772 50 HB3 ALA 6 HB3 ALA 6 5.430 6.586 -7.071 51 H LYS 7 H LYS 7 4.499 8.778 -6.432 52 HA LYS 7 HA LYS 7 2.592 9.609 -8.317 53 HB2 LYS 7 HB2 LYS 7 2.006 8.856 -6.065 54 HB3 LYS 7 HB3 LYS 7 2.852 10.220 -5.344 55 HG2 LYS 7 HG2 LYS 7 1.211 11.785 -6.252 56 HG3 LYS 7 HG3 LYS 7 0.402 10.483 -7.125 57 HD2 LYS 7 HD2 LYS 7 0.604 10.701 -4.093 58 HD3 LYS 7 HD3 LYS 7 -0.810 11.140 -5.052 59 HE2 LYS 7 HE2 LYS 7 0.389 8.365 -4.762 60 HE3 LYS 7 HE3 LYS 7 -1.134 8.933 -4.077 61 HZ1 LYS 7 HZ1 LYS 7 -0.518 8.635 -6.970 62 HZ2 LYS 7 HZ2 LYS 7 -1.972 9.230 -6.348 63 HZ3 LYS 7 HZ3 LYS 7 -1.518 7.630 -6.052 64 H HIS 8 H HIS 8 4.993 11.383 -6.475 65 HA HIS 8 HA HIS 8 4.187 14.018 -7.214 66 HB2 HIS 8 HB2 HIS 8 6.754 12.921 -6.015 67 HB3 HIS 8 HB3 HIS 8 6.556 14.626 -6.403 68 HD1 HIS 8 HD1 HIS 8 6.708 12.902 -3.533 69 HD2 HIS 8 HD2 HIS 8 3.618 15.178 -5.100 70 HE1 HIS 8 HE1 HIS 8 5.316 13.579 -1.574 71 HE2 HIS 8 HE2 HIS 8 3.558 15.108 -2.526 72 H LEU 9 H LEU 9 6.523 11.692 -8.542 73 HA LEU 9 HA LEU 9 7.659 13.457 -10.469 74 HB2 LEU 9 HB2 LEU 9 7.948 10.605 -9.764 75 HB3 LEU 9 HB3 LEU 9 8.106 10.875 -11.485 76 HG LEU 9 HG LEU 9 10.305 10.876 -10.391 77 HD11 LEU 9 HD11 LEU 9 11.177 12.964 -11.319 78 HD12 LEU 9 HD12 LEU 9 9.541 13.618 -11.430 79 HD13 LEU 9 HD13 LEU 9 10.004 12.223 -12.405 80 HD21 LEU 9 HD21 LEU 9 9.332 13.286 -8.825 81 HD22 LEU 9 HD22 LEU 9 10.973 12.635 -8.826 82 HD23 LEU 9 HD23 LEU 9 9.649 11.677 -8.165 83 H ILE 10 H ILE 10 5.068 11.057 -10.623 84 HA ILE 10 HA ILE 10 4.336 11.307 -13.335 85 HB ILE 10 HB ILE 10 2.663 10.624 -10.872 86 HG12 ILE 10 HG12 ILE 10 3.792 8.785 -13.040 87 HG13 ILE 10 HG13 ILE 10 4.546 9.055 -11.474 88 HG21 ILE 10 HG21 ILE 10 1.830 10.337 -13.789 89 HG22 ILE 10 HG22 ILE 10 1.126 11.440 -12.607 90 HG23 ILE 10 HG23 ILE 10 0.935 9.701 -12.404 91 HD11 ILE 10 HD11 ILE 10 1.855 7.782 -11.949 92 HD12 ILE 10 HD12 ILE 10 2.597 8.067 -10.371 93 HD13 ILE 10 HD13 ILE 10 3.356 6.964 -11.518 94 H GLU 11 H GLU 11 3.388 13.090 -10.417 95 HA GLU 11 HA GLU 11 1.566 14.918 -11.554 96 HB2 GLU 11 HB2 GLU 11 1.804 14.415 -9.103 97 HB3 GLU 11 HB3 GLU 11 3.327 15.285 -9.088 98 HG2 GLU 11 HG2 GLU 11 0.680 16.611 -9.797 99 HG3 GLU 11 HG3 GLU 11 1.280 16.493 -8.149 100 H ARG 12 H ARG 12 5.120 14.999 -11.173 101 HA ARG 12 HA ARG 12 5.517 17.724 -11.829 102 HB2 ARG 12 HB2 ARG 12 7.384 15.329 -11.887 103 HB3 ARG 12 HB3 ARG 12 7.935 16.937 -12.322 104 HG2 ARG 12 HG2 ARG 12 6.799 16.182 -9.622 105 HG3 ARG 12 HG3 ARG 12 8.515 16.275 -10.002 106 HD2 ARG 12 HD2 ARG 12 7.970 18.300 -8.897 107 HD3 ARG 12 HD3 ARG 12 8.134 18.718 -10.603 108 HE ARG 12 HE ARG 12 5.418 18.153 -9.895 109 HH11 ARG 12 HH11 ARG 12 7.851 20.702 -9.697 110 HH12 ARG 12 HH12 ARG 12 6.677 21.967 -9.547 111 HH21 ARG 12 HH21 ARG 12 3.904 19.815 -9.741 112 HH22 ARG 12 HH22 ARG 12 4.429 21.465 -9.592 113 H TYR 13 H TYR 13 5.707 14.760 -13.793 114 HA TYR 13 HA TYR 13 6.362 16.105 -16.233 115 HB2 TYR 13 HB2 TYR 13 5.427 13.276 -15.660 116 HB3 TYR 13 HB3 TYR 13 5.740 13.844 -17.298 117 HD1 TYR 13 HD1 TYR 13 8.138 14.886 -17.729 118 HD2 TYR 13 HD2 TYR 13 7.236 12.314 -14.441 119 HE1 TYR 13 HE1 TYR 13 10.522 14.316 -17.514 120 HE2 TYR 13 HE2 TYR 13 9.606 11.747 -14.228 121 HH TYR 13 HH TYR 13 12.085 13.435 -15.923 122 H TYR 14 H TYR 14 3.307 14.998 -14.773 123 HA TYR 14 HA TYR 14 1.633 15.578 -17.003 124 HB2 TYR 14 HB2 TYR 14 0.889 14.108 -15.139 125 HB3 TYR 14 HB3 TYR 14 0.889 15.491 -14.047 126 HD1 TYR 14 HD1 TYR 14 -0.702 14.246 -17.226 127 HD2 TYR 14 HD2 TYR 14 -1.099 16.787 -13.810 128 HE1 TYR 14 HE1 TYR 14 -3.008 14.780 -17.878 129 HE2 TYR 14 HE2 TYR 14 -3.385 17.325 -14.467 130 HH TYR 14 HH TYR 14 -5.013 15.621 -17.026 131 H HIS 15 H HIS 15 2.687 17.452 -14.244 132 HA HIS 15 HA HIS 15 1.207 19.839 -14.612 133 HB2 HIS 15 HB2 HIS 15 2.482 19.070 -12.528 134 HB3 HIS 15 HB3 HIS 15 3.977 19.508 -13.335 135 HD1 HIS 15 HD1 HIS 15 1.591 20.749 -11.011 136 HD2 HIS 15 HD2 HIS 15 3.930 22.504 -13.964 137 HE1 HIS 15 HE1 HIS 15 1.800 23.160 -10.373 138 HE2 HIS 15 HE2 HIS 15 3.022 24.227 -12.282 139 H GLN 16 H GLN 16 4.283 18.621 -15.787 140 HA GLN 16 HA GLN 16 5.275 20.925 -17.090 141 HB2 GLN 16 HB2 GLN 16 6.689 19.014 -16.439 142 HB3 GLN 16 HB3 GLN 16 5.809 17.961 -17.541 143 HG2 GLN 16 HG2 GLN 16 6.656 19.320 -19.444 144 HG3 GLN 16 HG3 GLN 16 7.611 20.271 -18.311 145 HE21 GLN 16 HE21 GLN 16 7.219 17.100 -19.751 146 HE22 GLN 16 HE22 GLN 16 8.803 16.520 -19.373 147 H LEU 17 H LEU 17 3.310 18.157 -18.264 148 HA LEU 17 HA LEU 17 3.227 18.977 -20.995 149 HB2 LEU 17 HB2 LEU 17 1.761 16.906 -19.378 150 HB3 LEU 17 HB3 LEU 17 1.010 17.402 -20.878 151 HG LEU 17 HG LEU 17 2.212 15.433 -21.367 152 HD11 LEU 17 HD11 LEU 17 3.803 16.085 -23.081 153 HD12 LEU 17 HD12 LEU 17 3.912 17.706 -22.390 154 HD13 LEU 17 HD13 LEU 17 2.393 17.144 -23.094 155 HD21 LEU 17 HD21 LEU 17 4.592 15.066 -20.925 156 HD22 LEU 17 HD22 LEU 17 3.689 15.325 -19.435 157 HD23 LEU 17 HD23 LEU 17 4.684 16.625 -20.097 158 H THR 18 H THR 18 1.096 19.635 -18.227 159 HA THR 18 HA THR 18 -1.024 20.724 -19.914 160 HB THR 18 HB THR 18 -2.193 21.105 -17.694 161 HG1 THR 18 HG1 THR 18 -0.442 19.521 -16.277 162 HG21 THR 18 HG21 THR 18 -1.140 18.280 -18.140 163 HG22 THR 18 HG22 THR 18 -2.555 18.987 -18.926 164 HG23 THR 18 HG23 THR 18 -2.560 18.708 -17.184 165 H GLU 19 H GLU 19 0.959 21.980 -17.231 166 HA GLU 19 HA GLU 19 0.205 24.742 -17.840 167 HB2 GLU 19 HB2 GLU 19 1.811 23.522 -15.555 168 HB3 GLU 19 HB3 GLU 19 1.336 25.217 -15.663 169 HG2 GLU 19 HG2 GLU 19 -0.994 24.679 -15.411 170 HG3 GLU 19 HG3 GLU 19 -0.685 22.962 -15.654 171 H GLY 20 H GLY 20 3.270 23.024 -17.130 172 HA2 GLY 20 HA2 GLY 20 5.186 23.131 -18.598 173 HA3 GLY 20 HA3 GLY 20 4.700 24.750 -19.075 174 H CYS 21 H CYS 21 5.801 26.370 -18.131 175 HA CYS 21 HA CYS 21 6.486 26.376 -15.310 176 HB2 CYS 21 HB2 CYS 21 8.941 26.736 -15.683 177 HB3 CYS 21 HB3 CYS 21 8.405 25.128 -16.174 178 H GLY 22 H GLY 22 5.485 28.027 -17.961 179 HA2 GLY 22 HA2 GLY 22 4.850 30.243 -18.106 180 HA3 GLY 22 HA3 GLY 22 5.880 30.637 -16.740 181 H ASN 23 H ASN 23 8.338 29.813 -17.542 182 HA ASN 23 HA ASN 23 9.260 32.038 -18.950 183 HB2 ASN 23 HB2 ASN 23 10.546 30.599 -17.273 184 HB3 ASN 23 HB3 ASN 23 10.819 29.450 -18.578 185 HD21 ASN 23 HD21 ASN 23 12.248 30.008 -20.244 186 HD22 ASN 23 HD22 ASN 23 13.351 31.331 -20.114 187 H GLU 24 H GLU 24 8.898 32.436 -21.000 188 HA GLU 24 HA GLU 24 8.250 30.756 -23.092 189 HB2 GLU 24 HB2 GLU 24 9.290 32.822 -24.523 190 HB3 GLU 24 HB3 GLU 24 7.734 32.899 -23.723 191 HG2 GLU 24 HG2 GLU 24 9.023 34.944 -23.385 192 HG3 GLU 24 HG3 GLU 24 8.685 34.134 -21.861 193 H ALA 25 H ALA 25 11.521 31.742 -22.089 194 HA ALA 25 HA ALA 25 12.821 30.410 -24.329 195 HB1 ALA 25 HB1 ALA 25 13.757 32.505 -23.426 196 HB2 ALA 25 HB2 ALA 25 14.916 31.181 -23.289 197 HB3 ALA 25 HB3 ALA 25 14.024 31.725 -21.866 198 H CYS 26 H CYS 26 11.608 28.433 -23.694 199 HA CYS 26 HA CYS 26 13.243 26.676 -21.962 200 HB2 CYS 26 HB2 CYS 26 11.215 27.186 -20.689 201 HB3 CYS 26 HB3 CYS 26 10.192 26.842 -22.079 202 H THR 27 H THR 27 14.206 25.391 -23.420 203 HA THR 27 HA THR 27 12.856 24.531 -25.885 204 HB THR 27 HB THR 27 15.171 23.616 -26.459 205 HG1 THR 27 HG1 THR 27 16.899 24.366 -25.167 206 HG21 THR 27 HG21 THR 27 14.451 25.803 -27.348 207 HG22 THR 27 HG22 THR 27 16.173 25.825 -26.958 208 HG23 THR 27 HG23 THR 27 15.017 26.601 -25.877 209 H ASN 28 H ASN 28 11.411 23.346 -24.433 210 HA ASN 28 HA ASN 28 12.264 20.542 -24.202 211 HB2 ASN 28 HB2 ASN 28 12.428 21.623 -21.915 212 HB3 ASN 28 HB3 ASN 28 10.718 22.021 -22.007 213 HD21 ASN 28 HD21 ASN 28 11.984 20.428 -19.983 214 HD22 ASN 28 HD22 ASN 28 11.285 18.849 -20.044 215 H GLU 29 H GLU 29 11.034 19.693 -25.743 216 HA GLU 29 HA GLU 29 8.554 20.636 -26.722 217 HB2 GLU 29 HB2 GLU 29 8.464 18.567 -28.059 218 HB3 GLU 29 HB3 GLU 29 10.061 19.293 -28.139 219 HG2 GLU 29 HG2 GLU 29 9.434 16.998 -26.272 220 HG3 GLU 29 HG3 GLU 29 9.884 16.737 -27.949 221 H PHE 30 H PHE 30 9.298 18.561 -24.076 222 HA PHE 30 HA PHE 30 6.644 17.384 -23.829 223 HB2 PHE 30 HB2 PHE 30 8.988 17.311 -21.891 224 HB3 PHE 30 HB3 PHE 30 7.592 16.243 -21.887 225 HD1 PHE 30 HD1 PHE 30 7.330 15.333 -24.640 226 HD2 PHE 30 HD2 PHE 30 10.887 16.040 -22.373 227 HE1 PHE 30 HE1 PHE 30 8.555 13.720 -26.034 228 HE2 PHE 30 HE2 PHE 30 12.102 14.426 -23.775 229 HZ PHE 30 HZ PHE 30 10.936 13.264 -25.609 230 H CYS 31 H CYS 31 7.801 20.405 -23.179 231 HA CYS 31 HA CYS 31 6.287 20.846 -20.658 232 HB2 CYS 31 HB2 CYS 31 8.808 21.276 -20.690 233 HB3 CYS 31 HB3 CYS 31 8.511 22.576 -21.826 234 H ALA 32 H ALA 32 4.569 22.249 -20.750 235 HA ALA 32 HA ALA 32 3.568 23.043 -23.314 236 HB1 ALA 32 HB1 ALA 32 1.588 23.788 -22.068 237 HB2 ALA 32 HB2 ALA 32 2.452 23.559 -20.548 238 HB3 ALA 32 HB3 ALA 32 2.089 22.166 -21.568 239 H SER 33 H SER 33 2.885 25.155 -23.898 240 HA SER 33 HA SER 33 3.193 27.312 -24.441 241 HB2 SER 33 HB2 SER 33 4.500 27.648 -21.701 242 HB3 SER 33 HB3 SER 33 4.018 28.970 -22.768 243 HG SER 33 HG SER 33 2.537 28.151 -20.972 244 H CYS 34 H CYS 34 5.653 25.125 -24.233 245 HA CYS 34 HA CYS 34 7.813 26.846 -25.164 246 HB2 CYS 34 HB2 CYS 34 7.578 23.803 -25.115 247 HB3 CYS 34 HB3 CYS 34 9.052 24.716 -25.442 248 HG CYS 34 HG CYS 34 7.558 25.444 -22.526 249 HA PRO 35 HA PRO 35 6.635 26.875 -29.512 250 HB2 PRO 35 HB2 PRO 35 9.126 26.769 -30.739 251 HB3 PRO 35 HB3 PRO 35 8.441 28.229 -30.013 252 HG2 PRO 35 HG2 PRO 35 10.394 26.261 -28.809 253 HG3 PRO 35 HG3 PRO 35 10.450 28.040 -28.806 254 HD2 PRO 35 HD2 PRO 35 9.592 26.700 -26.647 255 HD3 PRO 35 HD3 PRO 35 8.795 28.211 -27.143 256 H THR 36 H THR 36 8.963 24.435 -28.461 257 HA THR 36 HA THR 36 8.570 22.621 -30.645 258 HB THR 36 HB THR 36 9.954 21.068 -29.106 259 HG1 THR 36 HG1 THR 36 10.782 21.962 -27.257 260 HG21 THR 36 HG21 THR 36 12.057 22.309 -29.482 261 HG22 THR 36 HG22 THR 36 11.143 23.785 -29.797 262 HG23 THR 36 HG23 THR 36 11.013 22.416 -30.901 263 H PHE 37 H PHE 37 6.722 23.264 -27.864 264 HA PHE 37 HA PHE 37 5.562 20.601 -27.561 265 HB2 PHE 37 HB2 PHE 37 5.809 21.949 -25.540 266 HB3 PHE 37 HB3 PHE 37 4.915 23.278 -26.260 267 HD1 PHE 37 HD1 PHE 37 4.571 19.784 -24.983 268 HD2 PHE 37 HD2 PHE 37 2.508 23.377 -26.079 269 HE1 PHE 37 HE1 PHE 37 2.492 18.907 -24.004 270 HE2 PHE 37 HE2 PHE 37 0.440 22.483 -25.094 271 HZ PHE 37 HZ PHE 37 0.429 20.248 -24.057 272 H LEU 38 H LEU 38 3.697 19.929 -28.461 273 HA LEU 38 HA LEU 38 1.941 21.830 -29.920 274 HB2 LEU 38 HB2 LEU 38 2.414 18.858 -30.406 275 HB3 LEU 38 HB3 LEU 38 1.125 19.768 -31.169 276 HG LEU 38 HG LEU 38 2.836 19.567 -32.811 277 HD11 LEU 38 HD11 LEU 38 3.491 21.859 -33.305 278 HD12 LEU 38 HD12 LEU 38 3.124 22.352 -31.650 279 HD13 LEU 38 HD13 LEU 38 1.831 21.796 -32.716 280 HD21 LEU 38 HD21 LEU 38 4.708 18.888 -31.380 281 HD22 LEU 38 HD22 LEU 38 4.895 20.547 -30.803 282 HD23 LEU 38 HD23 LEU 38 5.194 20.159 -32.500 283 H ARG 39 H ARG 39 -0.316 21.536 -29.630 284 HA ARG 39 HA ARG 39 -1.053 21.084 -26.927 285 HB2 ARG 39 HB2 ARG 39 -2.871 21.602 -29.319 286 HB3 ARG 39 HB3 ARG 39 -3.328 21.760 -27.624 287 HG2 ARG 39 HG2 ARG 39 -1.253 23.436 -29.075 288 HG3 ARG 39 HG3 ARG 39 -2.887 23.957 -28.652 289 HD2 ARG 39 HD2 ARG 39 -2.358 23.843 -26.276 290 HD3 ARG 39 HD3 ARG 39 -0.776 23.130 -26.617 291 HE ARG 39 HE ARG 39 -1.011 25.615 -27.937 292 HH11 ARG 39 HH11 ARG 39 -0.596 24.321 -24.680 293 HH12 ARG 39 HH12 ARG 39 0.219 25.740 -24.105 294 HH21 ARG 39 HH21 ARG 39 0.093 27.428 -27.152 295 HH22 ARG 39 HH22 ARG 39 0.621 27.481 -25.501 296 H MET 40 H MET 40 -1.818 19.359 -25.981 297 HA MET 40 HA MET 40 -2.473 16.906 -27.501 298 HB2 MET 40 HB2 MET 40 -1.910 15.743 -25.273 299 HB3 MET 40 HB3 MET 40 -0.565 16.472 -26.140 300 HG2 MET 40 HG2 MET 40 -0.412 16.873 -23.724 301 HG3 MET 40 HG3 MET 40 -0.558 18.385 -24.622 302 HE1 MET 40 HE1 MET 40 -1.233 19.822 -22.547 303 HE2 MET 40 HE2 MET 40 -1.013 18.421 -21.494 304 HE3 MET 40 HE3 MET 40 -2.490 19.376 -21.392 305 H ASP 41 H ASP 41 -4.032 15.420 -26.331 306 HA ASP 41 HA ASP 41 -6.339 16.822 -25.181 307 HB2 ASP 41 HB2 ASP 41 -6.603 15.004 -26.905 308 HB3 ASP 41 HB3 ASP 41 -5.897 13.851 -25.778 309 H ASN 42 H ASN 42 -7.299 15.837 -23.116 310 HA ASN 42 HA ASN 42 -5.421 15.928 -20.998 311 HB2 ASN 42 HB2 ASN 42 -7.781 16.655 -20.743 312 HB3 ASN 42 HB3 ASN 42 -8.316 14.983 -20.936 313 HD21 ASN 42 HD21 ASN 42 -8.373 13.692 -19.140 314 HD22 ASN 42 HD22 ASN 42 -7.809 14.150 -17.572 315 H ASN 43 H ASN 43 -7.071 13.198 -22.581 316 HA ASN 43 HA ASN 43 -6.009 11.078 -21.031 317 HB2 ASN 43 HB2 ASN 43 -6.876 11.178 -23.958 318 HB3 ASN 43 HB3 ASN 43 -6.345 9.684 -23.173 319 HD21 ASN 43 HD21 ASN 43 -8.915 12.021 -23.408 320 HD22 ASN 43 HD22 ASN 43 -10.074 11.126 -22.501 321 H ALA 44 H ALA 44 -4.812 12.664 -23.983 322 HA ALA 44 HA ALA 44 -2.467 11.134 -24.362 323 HB1 ALA 44 HB1 ALA 44 -1.774 12.911 -25.908 324 HB2 ALA 44 HB2 ALA 44 -3.041 13.969 -25.281 325 HB3 ALA 44 HB3 ALA 44 -3.475 12.496 -26.148 326 H ALA 45 H ALA 45 -3.125 13.935 -22.353 327 HA ALA 45 HA ALA 45 -0.454 14.744 -21.783 328 HB1 ALA 45 HB1 ALA 45 -2.383 16.245 -21.496 329 HB2 ALA 45 HB2 ALA 45 -1.466 16.097 -19.997 330 HB3 ALA 45 HB3 ALA 45 -2.992 15.228 -20.189 331 H ALA 46 H ALA 46 -2.802 12.632 -20.147 332 HA ALA 46 HA ALA 46 -1.229 12.029 -17.845 333 HB1 ALA 46 HB1 ALA 46 -3.658 11.755 -17.864 334 HB2 ALA 46 HB2 ALA 46 -2.867 10.242 -17.437 335 HB3 ALA 46 HB3 ALA 46 -3.527 10.463 -19.062 336 H ILE 47 H ILE 47 -1.794 10.287 -20.906 337 HA ILE 47 HA ILE 47 -0.240 7.995 -20.378 338 HB ILE 47 HB ILE 47 -0.861 9.292 -23.081 339 HG12 ILE 47 HG12 ILE 47 -2.919 8.650 -21.868 340 HG13 ILE 47 HG13 ILE 47 -2.684 7.587 -23.248 341 HG21 ILE 47 HG21 ILE 47 0.185 6.485 -22.514 342 HG22 ILE 47 HG22 ILE 47 1.053 7.785 -23.327 343 HG23 ILE 47 HG23 ILE 47 -0.361 7.065 -24.092 344 HD11 ILE 47 HD11 ILE 47 -2.104 6.918 -20.360 345 HD12 ILE 47 HD12 ILE 47 -1.826 5.845 -21.732 346 HD13 ILE 47 HD13 ILE 47 -3.465 6.345 -21.323 347 H LYS 48 H LYS 48 0.577 11.064 -22.033 348 HA LYS 48 HA LYS 48 3.257 10.465 -22.661 349 HB2 LYS 48 HB2 LYS 48 1.851 12.338 -23.651 350 HB3 LYS 48 HB3 LYS 48 2.117 13.245 -22.169 351 HG2 LYS 48 HG2 LYS 48 3.636 14.007 -23.924 352 HG3 LYS 48 HG3 LYS 48 4.548 13.259 -22.606 353 HD2 LYS 48 HD2 LYS 48 4.814 11.194 -23.903 354 HD3 LYS 48 HD3 LYS 48 3.789 11.839 -25.189 355 HE2 LYS 48 HE2 LYS 48 6.478 12.968 -24.351 356 HE3 LYS 48 HE3 LYS 48 6.188 11.956 -25.764 357 HZ1 LYS 48 HZ1 LYS 48 4.731 13.675 -26.642 358 HZ2 LYS 48 HZ2 LYS 48 6.285 14.273 -26.363 359 HZ3 LYS 48 HZ3 LYS 48 5.035 14.655 -25.297 360 H ALA 49 H ALA 49 1.786 11.965 -19.804 361 HA ALA 49 HA ALA 49 4.071 12.778 -18.392 362 HB1 ALA 49 HB1 ALA 49 2.665 12.694 -16.382 363 HB2 ALA 49 HB2 ALA 49 1.458 11.738 -17.247 364 HB3 ALA 49 HB3 ALA 49 1.779 13.402 -17.736 365 H LEU 50 H LEU 50 2.410 9.654 -18.497 366 HA LEU 50 HA LEU 50 4.126 8.354 -16.594 367 HB2 LEU 50 HB2 LEU 50 1.831 7.498 -18.334 368 HB3 LEU 50 HB3 LEU 50 2.903 6.242 -17.750 369 HG LEU 50 HG LEU 50 0.929 6.459 -16.301 370 HD11 LEU 50 HD11 LEU 50 3.014 5.681 -15.291 371 HD12 LEU 50 HD12 LEU 50 2.073 6.612 -14.130 372 HD13 LEU 50 HD13 LEU 50 3.480 7.343 -14.907 373 HD21 LEU 50 HD21 LEU 50 0.427 8.834 -16.627 374 HD22 LEU 50 HD22 LEU 50 1.871 9.286 -15.718 375 HD23 LEU 50 HD23 LEU 50 0.544 8.444 -14.914 376 H GLU 51 H GLU 51 4.106 8.639 -20.114 377 HA GLU 51 HA GLU 51 6.046 6.696 -20.777 378 HB2 GLU 51 HB2 GLU 51 5.439 9.386 -22.089 379 HB3 GLU 51 HB3 GLU 51 6.471 8.156 -22.808 380 HG2 GLU 51 HG2 GLU 51 3.539 7.776 -22.156 381 HG3 GLU 51 HG3 GLU 51 4.155 8.218 -23.742 382 H LEU 52 H LEU 52 6.320 10.116 -19.933 383 HA LEU 52 HA LEU 52 9.174 10.262 -20.155 384 HB2 LEU 52 HB2 LEU 52 7.263 12.171 -18.783 385 HB3 LEU 52 HB3 LEU 52 8.909 12.525 -19.296 386 HG LEU 52 HG LEU 52 6.571 11.923 -21.142 387 HD11 LEU 52 HD11 LEU 52 7.965 14.541 -20.583 388 HD12 LEU 52 HD12 LEU 52 6.344 14.082 -20.054 389 HD13 LEU 52 HD13 LEU 52 6.687 14.274 -21.772 390 HD21 LEU 52 HD21 LEU 52 8.665 11.128 -22.138 391 HD22 LEU 52 HD22 LEU 52 9.404 12.712 -21.888 392 HD23 LEU 52 HD23 LEU 52 8.046 12.534 -22.999 393 H TYR 53 H TYR 53 6.894 9.705 -17.569 394 HA TYR 53 HA TYR 53 8.605 9.927 -15.342 395 HB2 TYR 53 HB2 TYR 53 6.302 9.907 -14.822 396 HB3 TYR 53 HB3 TYR 53 5.976 8.511 -15.837 397 HD1 TYR 53 HD1 TYR 53 7.825 9.448 -12.676 398 HD2 TYR 53 HD2 TYR 53 5.699 6.406 -14.806 399 HE1 TYR 53 HE1 TYR 53 7.973 7.968 -10.717 400 HE2 TYR 53 HE2 TYR 53 5.863 4.933 -12.853 401 HH TYR 53 HH TYR 53 7.198 4.614 -10.902 402 H LYS 54 H LYS 54 7.790 7.118 -17.404 403 HA LYS 54 HA LYS 54 9.238 5.267 -15.742 404 HB2 LYS 54 HB2 LYS 54 8.632 3.562 -17.361 405 HB3 LYS 54 HB3 LYS 54 7.234 4.579 -17.042 406 HG2 LYS 54 HG2 LYS 54 7.693 5.796 -19.181 407 HG3 LYS 54 HG3 LYS 54 9.002 4.657 -19.507 408 HD2 LYS 54 HD2 LYS 54 7.346 2.789 -19.472 409 HD3 LYS 54 HD3 LYS 54 6.052 3.963 -19.211 410 HE2 LYS 54 HE2 LYS 54 6.659 5.046 -21.383 411 HE3 LYS 54 HE3 LYS 54 7.849 3.770 -21.655 412 HZ1 LYS 54 HZ1 LYS 54 4.911 3.433 -21.390 413 HZ2 LYS 54 HZ2 LYS 54 6.011 2.158 -21.544 414 HZ3 LYS 54 HZ3 LYS 54 5.821 3.267 -22.806 415 H ILE 55 H ILE 55 9.978 7.080 -18.698 416 HA ILE 55 HA ILE 55 12.519 5.679 -19.121 417 HB ILE 55 HB ILE 55 12.805 7.052 -21.116 418 HG12 ILE 55 HG12 ILE 55 10.367 8.625 -20.149 419 HG13 ILE 55 HG13 ILE 55 12.003 9.240 -20.341 420 HG21 ILE 55 HG21 ILE 55 9.923 6.070 -20.915 421 HG22 ILE 55 HG22 ILE 55 11.330 5.076 -21.300 422 HG23 ILE 55 HG23 ILE 55 10.820 6.340 -22.415 423 HD11 ILE 55 HD11 ILE 55 10.148 8.383 -22.563 424 HD12 ILE 55 HD12 ILE 55 11.805 8.960 -22.775 425 HD13 ILE 55 HD13 ILE 55 10.574 10.032 -22.110 426 H ASN 56 H ASN 56 11.424 8.307 -17.275 427 HA ASN 56 HA ASN 56 12.305 10.049 -16.155 428 HB2 ASN 56 HB2 ASN 56 14.950 8.559 -16.399 429 HB3 ASN 56 HB3 ASN 56 14.612 9.866 -15.268 430 HD21 ASN 56 HD21 ASN 56 11.926 8.900 -14.585 431 HD22 ASN 56 HD22 ASN 56 12.155 7.496 -13.616 432 H ALA 57 H ALA 57 11.747 11.067 -18.289 433 HA ALA 57 HA ALA 57 13.865 11.848 -20.086 434 HB1 ALA 57 HB1 ALA 57 10.978 12.803 -19.938 435 HB2 ALA 57 HB2 ALA 57 11.571 11.463 -20.918 436 HB3 ALA 57 HB3 ALA 57 12.103 13.106 -21.267 437 H LYS 58 H LYS 58 13.858 14.277 -20.725 438 HA LYS 58 HA LYS 58 14.990 15.860 -18.732 439 HB2 LYS 58 HB2 LYS 58 14.620 17.767 -20.437 440 HB3 LYS 58 HB3 LYS 58 15.544 16.373 -20.991 441 HG2 LYS 58 HG2 LYS 58 13.391 15.482 -21.992 442 HG3 LYS 58 HG3 LYS 58 12.657 17.042 -21.641 443 HD2 LYS 58 HD2 LYS 58 15.097 16.651 -23.419 444 HD3 LYS 58 HD3 LYS 58 13.441 16.796 -24.007 445 HE2 LYS 58 HE2 LYS 58 13.346 19.062 -22.876 446 HE3 LYS 58 HE3 LYS 58 15.081 18.911 -22.586 447 HZ1 LYS 58 HZ1 LYS 58 15.427 18.743 -24.970 448 HZ2 LYS 58 HZ2 LYS 58 14.592 20.164 -24.602 449 HZ3 LYS 58 HZ3 LYS 58 13.762 18.842 -25.250 450 H LEU 59 H LEU 59 13.798 16.047 -16.925 451 HA LEU 59 HA LEU 59 11.082 17.088 -16.916 452 HB2 LEU 59 HB2 LEU 59 11.677 15.303 -15.320 453 HB3 LEU 59 HB3 LEU 59 12.942 16.309 -14.628 454 HG LEU 59 HG LEU 59 11.220 17.914 -13.802 455 HD11 LEU 59 HD11 LEU 59 8.834 17.366 -13.868 456 HD12 LEU 59 HD12 LEU 59 9.163 15.947 -14.863 457 HD13 LEU 59 HD13 LEU 59 9.476 17.567 -15.497 458 HD21 LEU 59 HD21 LEU 59 10.304 16.509 -12.004 459 HD22 LEU 59 HD22 LEU 59 11.986 16.097 -12.319 460 HD23 LEU 59 HD23 LEU 59 10.696 15.050 -12.918 461 H CYS 60 H CYS 60 10.627 19.169 -16.677 462 HA CYS 60 HA CYS 60 12.741 21.105 -16.817 463 HB2 CYS 60 HB2 CYS 60 10.639 21.145 -18.219 464 HB3 CYS 60 HB3 CYS 60 9.738 21.556 -16.764 465 H ASP 61 H ASP 61 13.738 21.514 -14.908 466 HA ASP 61 HA ASP 61 12.523 21.314 -12.345 467 HB2 ASP 61 HB2 ASP 61 14.671 22.041 -11.453 468 HB3 ASP 61 HB3 ASP 61 14.967 20.921 -12.775 469 HA PRO 62 HA PRO 62 10.670 25.330 -12.030 470 HB2 PRO 62 HB2 PRO 62 10.327 25.607 -9.347 471 HB3 PRO 62 HB3 PRO 62 9.454 24.382 -10.279 472 HG2 PRO 62 HG2 PRO 62 11.898 24.068 -8.550 473 HG3 PRO 62 HG3 PRO 62 10.471 23.013 -8.684 474 HD2 PRO 62 HD2 PRO 62 12.874 22.542 -9.984 475 HD3 PRO 62 HD3 PRO 62 11.308 21.923 -10.550 476 H HIS 63 H HIS 63 11.723 27.130 -12.526 477 HA HIS 63 HA HIS 63 14.098 28.079 -11.074 478 HB2 HIS 63 HB2 HIS 63 12.743 29.039 -13.639 479 HB3 HIS 63 HB3 HIS 63 14.137 29.831 -12.915 480 HD1 HIS 63 HD1 HIS 63 13.361 26.232 -13.999 481 HD2 HIS 63 HD2 HIS 63 16.409 29.057 -14.161 482 HE1 HIS 63 HE1 HIS 63 15.210 25.167 -15.312 483 HE2 HIS 63 HE2 HIS 63 17.106 26.794 -15.193 484 HA PRO 64 HA PRO 64 11.052 30.608 -8.657 485 HB2 PRO 64 HB2 PRO 64 13.612 31.487 -7.331 486 HB3 PRO 64 HB3 PRO 64 12.095 30.937 -6.603 487 HG2 PRO 64 HG2 PRO 64 14.207 29.301 -6.654 488 HG3 PRO 64 HG3 PRO 64 12.576 28.672 -6.985 489 HD2 PRO 64 HD2 PRO 64 14.769 29.369 -8.952 490 HD3 PRO 64 HD3 PRO 64 13.707 27.941 -8.914 Start of MODEL 16 1 H MET 1 H MET 1 5.980 0.782 -8.286 2 HA MET 1 HA MET 1 4.408 0.617 -6.527 3 HB2 MET 1 HB2 MET 1 5.937 -0.664 -4.988 4 HB3 MET 1 HB3 MET 1 6.830 0.818 -4.665 5 HG2 MET 1 HG2 MET 1 4.744 1.812 -3.719 6 HG3 MET 1 HG3 MET 1 3.939 0.259 -3.963 7 HE1 MET 1 HE1 MET 1 4.331 0.252 -0.094 8 HE2 MET 1 HE2 MET 1 3.230 0.004 -1.449 9 HE3 MET 1 HE3 MET 1 3.896 1.608 -1.135 10 H LYS 2 H LYS 2 3.468 2.572 -6.829 11 HA LYS 2 HA LYS 2 5.105 4.982 -7.079 12 HB2 LYS 2 HB2 LYS 2 2.154 4.480 -7.616 13 HB3 LYS 2 HB3 LYS 2 2.936 6.037 -7.835 14 HG2 LYS 2 HG2 LYS 2 3.572 3.496 -9.374 15 HG3 LYS 2 HG3 LYS 2 2.655 4.875 -9.972 16 HD2 LYS 2 HD2 LYS 2 4.684 5.477 -10.883 17 HD3 LYS 2 HD3 LYS 2 4.955 6.166 -9.289 18 HE2 LYS 2 HE2 LYS 2 6.945 4.960 -9.853 19 HE3 LYS 2 HE3 LYS 2 6.097 3.967 -8.666 20 HZ1 LYS 2 HZ1 LYS 2 6.122 3.576 -11.603 21 HZ2 LYS 2 HZ2 LYS 2 5.217 2.654 -10.516 22 HZ3 LYS 2 HZ3 LYS 2 6.904 2.622 -10.446 23 H ARG 3 H ARG 3 5.720 5.284 -4.941 24 HA ARG 3 HA ARG 3 3.715 6.058 -2.916 25 HB2 ARG 3 HB2 ARG 3 6.745 5.723 -2.798 26 HB3 ARG 3 HB3 ARG 3 5.753 6.207 -1.425 27 HG2 ARG 3 HG2 ARG 3 4.550 4.054 -1.530 28 HG3 ARG 3 HG3 ARG 3 5.527 3.579 -2.917 29 HD2 ARG 3 HD2 ARG 3 6.628 4.178 -0.156 30 HD3 ARG 3 HD3 ARG 3 6.300 2.561 -0.781 31 HE ARG 3 HE ARG 3 8.060 4.105 -2.462 32 HH11 ARG 3 HH11 ARG 3 7.977 1.978 0.341 33 HH12 ARG 3 HH12 ARG 3 9.624 1.478 0.150 34 HH21 ARG 3 HH21 ARG 3 10.208 3.447 -2.678 35 HH22 ARG 3 HH22 ARG 3 10.888 2.309 -1.561 36 H ALA 4 H ALA 4 5.090 8.047 -1.545 37 HA ALA 4 HA ALA 4 3.908 10.268 -2.547 38 HB1 ALA 4 HB1 ALA 4 4.735 10.061 -0.243 39 HB2 ALA 4 HB2 ALA 4 5.239 11.587 -0.970 40 HB3 ALA 4 HB3 ALA 4 6.397 10.265 -0.812 41 H ALA 5 H ALA 5 7.450 9.718 -2.831 42 HA ALA 5 HA ALA 5 8.040 12.051 -4.306 43 HB1 ALA 5 HB1 ALA 5 10.246 11.014 -4.679 44 HB2 ALA 5 HB2 ALA 5 9.617 9.458 -4.135 45 HB3 ALA 5 HB3 ALA 5 9.725 10.809 -3.006 46 H ALA 6 H ALA 6 7.216 8.783 -5.328 47 HA ALA 6 HA ALA 6 7.836 9.039 -8.100 48 HB1 ALA 6 HB1 ALA 6 6.644 6.899 -8.329 49 HB2 ALA 6 HB2 ALA 6 6.022 7.058 -6.683 50 HB3 ALA 6 HB3 ALA 6 7.755 6.864 -6.957 51 H LYS 7 H LYS 7 4.954 9.519 -6.152 52 HA LYS 7 HA LYS 7 3.077 9.880 -8.281 53 HB2 LYS 7 HB2 LYS 7 2.988 10.685 -5.341 54 HB3 LYS 7 HB3 LYS 7 1.619 10.821 -6.439 55 HG2 LYS 7 HG2 LYS 7 3.006 8.197 -5.803 56 HG3 LYS 7 HG3 LYS 7 1.583 8.783 -4.949 57 HD2 LYS 7 HD2 LYS 7 1.690 8.215 -7.946 58 HD3 LYS 7 HD3 LYS 7 1.038 7.113 -6.733 59 HE2 LYS 7 HE2 LYS 7 -0.044 9.873 -7.402 60 HE3 LYS 7 HE3 LYS 7 -0.787 8.330 -7.825 61 HZ1 LYS 7 HZ1 LYS 7 -1.852 9.285 -5.921 62 HZ2 LYS 7 HZ2 LYS 7 -0.389 9.401 -5.087 63 HZ3 LYS 7 HZ3 LYS 7 -1.040 7.881 -5.446 64 H HIS 8 H HIS 8 5.015 12.059 -6.234 65 HA HIS 8 HA HIS 8 4.143 14.533 -7.273 66 HB2 HIS 8 HB2 HIS 8 6.793 13.738 -5.996 67 HB3 HIS 8 HB3 HIS 8 6.439 15.392 -6.500 68 HD1 HIS 8 HD1 HIS 8 3.899 16.174 -5.403 69 HD2 HIS 8 HD2 HIS 8 6.309 13.517 -3.320 70 HE1 HIS 8 HE1 HIS 8 3.156 16.315 -3.018 71 HE2 HIS 8 HE2 HIS 8 4.772 14.863 -1.751 72 H LEU 9 H LEU 9 6.556 12.218 -8.383 73 HA LEU 9 HA LEU 9 7.649 13.834 -10.470 74 HB2 LEU 9 HB2 LEU 9 8.060 11.119 -9.430 75 HB3 LEU 9 HB3 LEU 9 8.139 11.142 -11.177 76 HG LEU 9 HG LEU 9 10.377 11.375 -10.103 77 HD11 LEU 9 HD11 LEU 9 11.174 13.251 -11.473 78 HD12 LEU 9 HD12 LEU 9 9.513 13.800 -11.708 79 HD13 LEU 9 HD13 LEU 9 10.031 12.245 -12.362 80 HD21 LEU 9 HD21 LEU 9 9.362 14.061 -9.111 81 HD22 LEU 9 HD22 LEU 9 11.003 13.432 -8.954 82 HD23 LEU 9 HD23 LEU 9 9.679 12.646 -8.098 83 H ILE 10 H ILE 10 5.030 11.410 -10.354 84 HA ILE 10 HA ILE 10 4.421 11.402 -13.136 85 HB ILE 10 HB ILE 10 2.528 10.924 -10.785 86 HG12 ILE 10 HG12 ILE 10 3.921 8.847 -12.542 87 HG13 ILE 10 HG13 ILE 10 4.496 9.330 -10.952 88 HG21 ILE 10 HG21 ILE 10 2.120 10.236 -13.733 89 HG22 ILE 10 HG22 ILE 10 1.252 11.474 -12.826 90 HG23 ILE 10 HG23 ILE 10 1.038 9.778 -12.412 91 HD11 ILE 10 HD11 ILE 10 2.413 8.502 -9.956 92 HD12 ILE 10 HD12 ILE 10 3.291 7.251 -10.832 93 HD13 ILE 10 HD13 ILE 10 1.864 7.990 -11.555 94 H GLU 11 H GLU 11 3.321 13.411 -10.417 95 HA GLU 11 HA GLU 11 1.577 15.142 -11.824 96 HB2 GLU 11 HB2 GLU 11 2.845 15.122 -9.115 97 HB3 GLU 11 HB3 GLU 11 2.430 16.720 -9.716 98 HG2 GLU 11 HG2 GLU 11 0.665 15.817 -8.299 99 HG3 GLU 11 HG3 GLU 11 0.080 16.068 -9.938 100 H ARG 12 H ARG 12 5.085 15.238 -11.254 101 HA ARG 12 HA ARG 12 5.638 17.843 -12.185 102 HB2 ARG 12 HB2 ARG 12 7.314 15.321 -12.054 103 HB3 ARG 12 HB3 ARG 12 7.964 16.777 -12.782 104 HG2 ARG 12 HG2 ARG 12 6.941 16.681 -9.940 105 HG3 ARG 12 HG3 ARG 12 8.613 16.338 -10.376 106 HD2 ARG 12 HD2 ARG 12 8.633 18.603 -9.700 107 HD3 ARG 12 HD3 ARG 12 8.632 18.681 -11.459 108 HE ARG 12 HE ARG 12 6.271 19.278 -11.370 109 HH11 ARG 12 HH11 ARG 12 7.929 19.464 -8.288 110 HH12 ARG 12 HH12 ARG 12 6.847 20.655 -7.642 111 HH21 ARG 12 HH21 ARG 12 4.867 20.837 -10.510 112 HH22 ARG 12 HH22 ARG 12 5.122 21.440 -8.905 113 H TYR 13 H TYR 13 5.682 14.703 -13.893 114 HA TYR 13 HA TYR 13 6.225 15.821 -16.458 115 HB2 TYR 13 HB2 TYR 13 5.288 13.070 -15.584 116 HB3 TYR 13 HB3 TYR 13 5.498 13.478 -17.285 117 HD1 TYR 13 HD1 TYR 13 7.865 14.327 -18.024 118 HD2 TYR 13 HD2 TYR 13 7.178 12.292 -14.326 119 HE1 TYR 13 HE1 TYR 13 10.254 13.770 -17.873 120 HE2 TYR 13 HE2 TYR 13 9.557 11.745 -14.186 121 HH TYR 13 HH TYR 13 11.476 11.493 -15.703 122 H TYR 14 H TYR 14 3.189 14.876 -14.816 123 HA TYR 14 HA TYR 14 1.447 15.049 -17.035 124 HB2 TYR 14 HB2 TYR 14 0.706 13.973 -14.949 125 HB3 TYR 14 HB3 TYR 14 0.853 15.495 -14.071 126 HD1 TYR 14 HD1 TYR 14 -0.875 14.213 -17.174 127 HD2 TYR 14 HD2 TYR 14 -1.200 16.625 -13.653 128 HE1 TYR 14 HE1 TYR 14 -3.195 14.738 -17.749 129 HE2 TYR 14 HE2 TYR 14 -3.525 17.153 -14.240 130 HH TYR 14 HH TYR 14 -5.195 15.481 -16.777 131 H HIS 15 H HIS 15 2.185 17.406 -14.511 132 HA HIS 15 HA HIS 15 0.725 19.557 -15.712 133 HB2 HIS 15 HB2 HIS 15 2.662 19.539 -13.363 134 HB3 HIS 15 HB3 HIS 15 1.742 20.951 -13.889 135 HD1 HIS 15 HD1 HIS 15 1.483 18.108 -11.652 136 HD2 HIS 15 HD2 HIS 15 -1.183 20.421 -13.833 137 HE1 HIS 15 HE1 HIS 15 -0.780 17.634 -10.681 138 HE2 HIS 15 HE2 HIS 15 -2.385 19.022 -12.031 139 H GLN 16 H GLN 16 3.965 18.332 -16.060 140 HA GLN 16 HA GLN 16 5.068 20.573 -17.436 141 HB2 GLN 16 HB2 GLN 16 6.591 18.859 -16.733 142 HB3 GLN 16 HB3 GLN 16 5.662 17.599 -17.537 143 HG2 GLN 16 HG2 GLN 16 6.344 18.500 -19.731 144 HG3 GLN 16 HG3 GLN 16 7.288 19.748 -18.925 145 HE21 GLN 16 HE21 GLN 16 7.078 16.295 -19.576 146 HE22 GLN 16 HE22 GLN 16 8.724 15.941 -19.193 147 H LEU 17 H LEU 17 3.097 17.778 -18.583 148 HA LEU 17 HA LEU 17 3.185 18.663 -21.347 149 HB2 LEU 17 HB2 LEU 17 1.696 16.413 -19.969 150 HB3 LEU 17 HB3 LEU 17 1.316 16.856 -21.619 151 HG LEU 17 HG LEU 17 2.742 15.032 -21.883 152 HD11 LEU 17 HD11 LEU 17 3.470 16.843 -23.329 153 HD12 LEU 17 HD12 LEU 17 4.817 15.799 -22.892 154 HD13 LEU 17 HD13 LEU 17 4.638 17.375 -22.116 155 HD21 LEU 17 HD21 LEU 17 3.479 14.795 -19.561 156 HD22 LEU 17 HD22 LEU 17 4.665 16.082 -19.802 157 HD23 LEU 17 HD23 LEU 17 4.795 14.574 -20.706 158 H THR 18 H THR 18 1.022 19.253 -18.629 159 HA THR 18 HA THR 18 -1.120 20.254 -20.380 160 HB THR 18 HB THR 18 -2.441 20.584 -18.284 161 HG1 THR 18 HG1 THR 18 -1.247 20.852 -16.557 162 HG21 THR 18 HG21 THR 18 -2.578 18.384 -19.389 163 HG22 THR 18 HG22 THR 18 -2.686 18.211 -17.638 164 HG23 THR 18 HG23 THR 18 -1.180 17.819 -18.467 165 H GLU 19 H GLU 19 0.791 21.528 -17.623 166 HA GLU 19 HA GLU 19 -0.032 24.275 -18.200 167 HB2 GLU 19 HB2 GLU 19 1.869 23.405 -15.983 168 HB3 GLU 19 HB3 GLU 19 0.905 24.871 -16.061 169 HG2 GLU 19 HG2 GLU 19 -0.100 22.056 -15.594 170 HG3 GLU 19 HG3 GLU 19 -0.004 23.348 -14.400 171 H GLY 20 H GLY 20 2.887 22.294 -18.109 172 HA2 GLY 20 HA2 GLY 20 4.870 22.564 -19.278 173 HA3 GLY 20 HA3 GLY 20 4.431 24.217 -19.667 174 H CYS 21 H CYS 21 5.383 25.752 -18.573 175 HA CYS 21 HA CYS 21 5.928 25.555 -15.724 176 HB2 CYS 21 HB2 CYS 21 8.328 26.333 -16.013 177 HB3 CYS 21 HB3 CYS 21 8.032 24.692 -16.579 178 H GLY 22 H GLY 22 4.666 27.293 -18.202 179 HA2 GLY 22 HA2 GLY 22 3.927 29.466 -18.358 180 HA3 GLY 22 HA3 GLY 22 4.740 29.842 -16.852 181 H ASN 23 H ASN 23 7.384 29.115 -17.611 182 HA ASN 23 HA ASN 23 8.497 31.385 -18.670 183 HB2 ASN 23 HB2 ASN 23 9.765 29.761 -17.353 184 HB3 ASN 23 HB3 ASN 23 9.574 28.533 -18.595 185 HD21 ASN 23 HD21 ASN 23 10.478 31.931 -19.191 186 HD22 ASN 23 HD22 ASN 23 12.075 31.579 -19.736 187 H GLU 24 H GLU 24 8.250 32.252 -20.613 188 HA GLU 24 HA GLU 24 7.407 30.869 -22.964 189 HB2 GLU 24 HB2 GLU 24 7.717 33.084 -24.096 190 HB3 GLU 24 HB3 GLU 24 6.766 33.197 -22.622 191 HG2 GLU 24 HG2 GLU 24 8.630 34.148 -21.404 192 HG3 GLU 24 HG3 GLU 24 9.719 33.874 -22.759 193 H ALA 25 H ALA 25 10.544 32.010 -21.799 194 HA ALA 25 HA ALA 25 11.982 31.126 -24.216 195 HB1 ALA 25 HB1 ALA 25 13.941 32.194 -23.172 196 HB2 ALA 25 HB2 ALA 25 13.005 32.515 -21.711 197 HB3 ALA 25 HB3 ALA 25 12.574 33.308 -23.227 198 H CYS 26 H CYS 26 10.751 29.069 -23.049 199 HA CYS 26 HA CYS 26 12.316 27.644 -21.112 200 HB2 CYS 26 HB2 CYS 26 9.918 27.303 -21.166 201 HB3 CYS 26 HB3 CYS 26 9.976 26.802 -22.854 202 H THR 27 H THR 27 13.195 25.447 -21.507 203 HA THR 27 HA THR 27 14.098 24.916 -24.250 204 HB THR 27 HB THR 27 15.961 26.144 -23.364 205 HG1 THR 27 HG1 THR 27 16.956 24.592 -24.414 206 HG21 THR 27 HG21 THR 27 15.945 24.301 -20.958 207 HG22 THR 27 HG22 THR 27 15.467 25.997 -20.941 208 HG23 THR 27 HG23 THR 27 17.146 25.557 -21.272 209 H ASN 28 H ASN 28 12.253 23.412 -23.893 210 HA ASN 28 HA ASN 28 13.291 20.761 -23.570 211 HB2 ASN 28 HB2 ASN 28 12.617 21.409 -21.179 212 HB3 ASN 28 HB3 ASN 28 10.952 21.518 -21.738 213 HD21 ASN 28 HD21 ASN 28 11.866 19.820 -19.688 214 HD22 ASN 28 HD22 ASN 28 11.613 18.190 -20.184 215 H GLU 29 H GLU 29 12.372 19.637 -25.214 216 HA GLU 29 HA GLU 29 10.258 20.664 -26.821 217 HB2 GLU 29 HB2 GLU 29 10.404 18.480 -28.063 218 HB3 GLU 29 HB3 GLU 29 11.914 19.360 -27.957 219 HG2 GLU 29 HG2 GLU 29 11.490 17.275 -25.861 220 HG3 GLU 29 HG3 GLU 29 11.662 16.683 -27.507 221 H PHE 30 H PHE 30 10.423 18.189 -24.338 222 HA PHE 30 HA PHE 30 7.525 17.706 -24.427 223 HB2 PHE 30 HB2 PHE 30 9.621 16.615 -22.482 224 HB3 PHE 30 HB3 PHE 30 7.943 16.096 -22.603 225 HD1 PHE 30 HD1 PHE 30 7.178 15.131 -24.931 226 HD2 PHE 30 HD2 PHE 30 11.272 15.423 -23.695 227 HE1 PHE 30 HE1 PHE 30 7.814 13.426 -26.585 228 HE2 PHE 30 HE2 PHE 30 11.890 13.716 -25.355 229 HZ PHE 30 HZ PHE 30 10.162 12.715 -26.800 230 H CYS 31 H CYS 31 7.133 20.057 -24.034 231 HA CYS 31 HA CYS 31 6.431 20.461 -21.272 232 HB2 CYS 31 HB2 CYS 31 8.846 21.167 -21.236 233 HB3 CYS 31 HB3 CYS 31 8.489 22.397 -22.427 234 H ALA 32 H ALA 32 4.533 21.527 -21.335 235 HA ALA 32 HA ALA 32 3.481 22.707 -23.719 236 HB1 ALA 32 HB1 ALA 32 1.497 23.189 -22.332 237 HB2 ALA 32 HB2 ALA 32 2.391 22.739 -20.879 238 HB3 ALA 32 HB3 ALA 32 2.037 21.524 -22.110 239 H SER 33 H SER 33 2.575 24.941 -23.756 240 HA SER 33 HA SER 33 2.915 27.163 -23.890 241 HB2 SER 33 HB2 SER 33 4.197 26.884 -21.133 242 HB3 SER 33 HB3 SER 33 3.703 28.407 -21.876 243 HG SER 33 HG SER 33 2.128 26.345 -20.801 244 H CYS 34 H CYS 34 5.212 25.046 -24.506 245 HA CYS 34 HA CYS 34 7.333 27.045 -25.044 246 HB2 CYS 34 HB2 CYS 34 7.587 24.007 -24.944 247 HB3 CYS 34 HB3 CYS 34 8.894 25.192 -24.987 248 HG CYS 34 HG CYS 34 6.776 25.470 -22.387 249 HA PRO 35 HA PRO 35 6.180 26.616 -29.380 250 HB2 PRO 35 HB2 PRO 35 8.472 27.474 -30.616 251 HB3 PRO 35 HB3 PRO 35 7.397 28.569 -29.736 252 HG2 PRO 35 HG2 PRO 35 9.931 27.245 -28.763 253 HG3 PRO 35 HG3 PRO 35 9.445 28.951 -28.633 254 HD2 PRO 35 HD2 PRO 35 9.144 27.238 -26.562 255 HD3 PRO 35 HD3 PRO 35 7.959 28.525 -26.875 256 H THR 36 H THR 36 8.878 24.893 -28.054 257 HA THR 36 HA THR 36 9.415 23.142 -30.266 258 HB THR 36 HB THR 36 10.692 21.820 -28.491 259 HG1 THR 36 HG1 THR 36 9.639 22.278 -26.619 260 HG21 THR 36 HG21 THR 36 12.438 23.525 -28.104 261 HG22 THR 36 HG22 THR 36 11.323 24.798 -28.606 262 HG23 THR 36 HG23 THR 36 11.860 23.584 -29.770 263 H PHE 37 H PHE 37 6.787 23.321 -28.170 264 HA PHE 37 HA PHE 37 6.145 20.447 -28.450 265 HB2 PHE 37 HB2 PHE 37 6.644 21.001 -26.100 266 HB3 PHE 37 HB3 PHE 37 5.451 22.291 -26.141 267 HD1 PHE 37 HD1 PHE 37 5.760 18.582 -26.612 268 HD2 PHE 37 HD2 PHE 37 3.240 21.823 -25.417 269 HE1 PHE 37 HE1 PHE 37 4.045 16.990 -25.864 270 HE2 PHE 37 HE2 PHE 37 1.538 20.229 -24.673 271 HZ PHE 37 HZ PHE 37 1.934 17.812 -24.894 272 H LEU 38 H LEU 38 4.370 20.062 -29.602 273 HA LEU 38 HA LEU 38 2.329 22.116 -30.081 274 HB2 LEU 38 HB2 LEU 38 2.608 19.271 -31.146 275 HB3 LEU 38 HB3 LEU 38 1.291 20.360 -31.555 276 HG LEU 38 HG LEU 38 3.095 21.957 -32.508 277 HD11 LEU 38 HD11 LEU 38 4.845 19.477 -32.398 278 HD12 LEU 38 HD12 LEU 38 5.089 20.966 -31.484 279 HD13 LEU 38 HD13 LEU 38 5.227 20.983 -33.240 280 HD21 LEU 38 HD21 LEU 38 1.569 20.712 -33.953 281 HD22 LEU 38 HD22 LEU 38 2.637 19.307 -33.915 282 HD23 LEU 38 HD23 LEU 38 3.172 20.805 -34.679 283 H ARG 39 H ARG 39 0.360 22.084 -29.120 284 HA ARG 39 HA ARG 39 0.119 21.035 -26.551 285 HB2 ARG 39 HB2 ARG 39 -1.941 22.254 -28.424 286 HB3 ARG 39 HB3 ARG 39 -2.359 21.763 -26.788 287 HG2 ARG 39 HG2 ARG 39 -0.207 23.788 -27.461 288 HG3 ARG 39 HG3 ARG 39 -1.864 24.199 -27.013 289 HD2 ARG 39 HD2 ARG 39 -1.524 23.037 -24.829 290 HD3 ARG 39 HD3 ARG 39 0.155 22.731 -25.279 291 HE ARG 39 HE ARG 39 -0.054 25.422 -25.512 292 HH11 ARG 39 HH11 ARG 39 -0.839 23.210 -22.887 293 HH12 ARG 39 HH12 ARG 39 -0.487 24.369 -21.649 294 HH21 ARG 39 HH21 ARG 39 0.394 26.924 -23.877 295 HH22 ARG 39 HH22 ARG 39 0.212 26.475 -22.212 296 H MET 40 H MET 40 -1.048 19.425 -25.600 297 HA MET 40 HA MET 40 -2.701 17.584 -27.220 298 HB2 MET 40 HB2 MET 40 -1.883 15.638 -25.924 299 HB3 MET 40 HB3 MET 40 -0.566 16.396 -26.800 300 HG2 MET 40 HG2 MET 40 0.254 17.434 -24.751 301 HG3 MET 40 HG3 MET 40 -1.122 16.804 -23.849 302 HE1 MET 40 HE1 MET 40 2.125 14.017 -25.654 303 HE2 MET 40 HE2 MET 40 2.154 15.765 -25.877 304 HE3 MET 40 HE3 MET 40 0.891 14.798 -26.643 305 H ASP 41 H ASP 41 -4.412 16.569 -26.008 306 HA ASP 41 HA ASP 41 -5.599 18.244 -23.990 307 HB2 ASP 41 HB2 ASP 41 -7.439 16.608 -23.994 308 HB3 ASP 41 HB3 ASP 41 -7.010 17.074 -25.634 309 H ASN 42 H ASN 42 -6.522 17.125 -21.934 310 HA ASN 42 HA ASN 42 -4.238 16.637 -20.303 311 HB2 ASN 42 HB2 ASN 42 -7.197 16.515 -19.604 312 HB3 ASN 42 HB3 ASN 42 -5.884 16.533 -18.431 313 HD21 ASN 42 HD21 ASN 42 -7.710 18.445 -20.699 314 HD22 ASN 42 HD22 ASN 42 -7.074 19.976 -20.215 315 H ASN 43 H ASN 43 -6.588 14.484 -21.765 316 HA ASN 43 HA ASN 43 -6.060 12.159 -20.149 317 HB2 ASN 43 HB2 ASN 43 -8.143 12.429 -21.477 318 HB3 ASN 43 HB3 ASN 43 -7.220 12.396 -22.964 319 HD21 ASN 43 HD21 ASN 43 -8.299 10.627 -23.780 320 HD22 ASN 43 HD22 ASN 43 -8.133 9.033 -23.136 321 H ALA 44 H ALA 44 -4.994 13.303 -23.316 322 HA ALA 44 HA ALA 44 -3.121 11.273 -23.939 323 HB1 ALA 44 HB1 ALA 44 -3.216 14.152 -24.904 324 HB2 ALA 44 HB2 ALA 44 -4.121 12.809 -25.604 325 HB3 ALA 44 HB3 ALA 44 -2.355 12.819 -25.680 326 H ALA 45 H ALA 45 -2.934 14.230 -22.080 327 HA ALA 45 HA ALA 45 -0.085 14.410 -21.847 328 HB1 ALA 45 HB1 ALA 45 -0.568 16.199 -20.229 329 HB2 ALA 45 HB2 ALA 45 -2.273 15.739 -20.220 330 HB3 ALA 45 HB3 ALA 45 -1.544 16.386 -21.689 331 H ALA 46 H ALA 46 -2.675 12.910 -19.990 332 HA ALA 46 HA ALA 46 -1.171 12.291 -17.644 333 HB1 ALA 46 HB1 ALA 46 -3.050 10.798 -17.089 334 HB2 ALA 46 HB2 ALA 46 -3.698 10.996 -18.722 335 HB3 ALA 46 HB3 ALA 46 -3.619 12.378 -17.628 336 H ILE 47 H ILE 47 -2.012 10.469 -20.579 337 HA ILE 47 HA ILE 47 -0.636 8.074 -20.023 338 HB ILE 47 HB ILE 47 -1.147 9.386 -22.738 339 HG12 ILE 47 HG12 ILE 47 -3.246 8.900 -21.504 340 HG13 ILE 47 HG13 ILE 47 -3.092 7.844 -22.901 341 HG21 ILE 47 HG21 ILE 47 -0.309 6.515 -22.142 342 HG22 ILE 47 HG22 ILE 47 0.660 7.744 -22.956 343 HG23 ILE 47 HG23 ILE 47 -0.797 7.122 -23.729 344 HD11 ILE 47 HD11 ILE 47 -2.521 7.075 -20.037 345 HD12 ILE 47 HD12 ILE 47 -2.379 6.011 -21.438 346 HD13 ILE 47 HD13 ILE 47 -3.955 6.647 -20.968 347 H LYS 48 H LYS 48 0.380 11.005 -21.804 348 HA LYS 48 HA LYS 48 3.003 10.171 -22.428 349 HB2 LYS 48 HB2 LYS 48 1.667 12.051 -23.543 350 HB3 LYS 48 HB3 LYS 48 2.079 13.064 -22.165 351 HG2 LYS 48 HG2 LYS 48 3.577 13.550 -24.015 352 HG3 LYS 48 HG3 LYS 48 4.491 12.796 -22.703 353 HD2 LYS 48 HD2 LYS 48 4.410 10.623 -23.895 354 HD3 LYS 48 HD3 LYS 48 3.470 11.369 -25.191 355 HE2 LYS 48 HE2 LYS 48 5.377 12.870 -25.688 356 HE3 LYS 48 HE3 LYS 48 6.321 12.081 -24.424 357 HZ1 LYS 48 HZ1 LYS 48 6.103 9.999 -25.672 358 HZ2 LYS 48 HZ2 LYS 48 6.882 11.197 -26.582 359 HZ3 LYS 48 HZ3 LYS 48 5.268 10.814 -26.892 360 H ALA 49 H ALA 49 1.650 11.687 -19.567 361 HA ALA 49 HA ALA 49 3.964 12.530 -18.225 362 HB1 ALA 49 HB1 ALA 49 1.439 11.365 -16.993 363 HB2 ALA 49 HB2 ALA 49 1.675 13.053 -17.444 364 HB3 ALA 49 HB3 ALA 49 2.652 12.341 -16.159 365 H LEU 50 H LEU 50 2.241 9.398 -18.069 366 HA LEU 50 HA LEU 50 4.233 8.124 -16.442 367 HB2 LEU 50 HB2 LEU 50 1.810 7.100 -17.937 368 HB3 LEU 50 HB3 LEU 50 2.941 5.970 -17.218 369 HG LEU 50 HG LEU 50 1.088 6.261 -15.695 370 HD11 LEU 50 HD11 LEU 50 3.295 5.992 -14.653 371 HD12 LEU 50 HD12 LEU 50 2.225 6.961 -13.646 372 HD13 LEU 50 HD13 LEU 50 3.495 7.747 -14.588 373 HD21 LEU 50 HD21 LEU 50 0.249 8.437 -16.456 374 HD22 LEU 50 HD22 LEU 50 1.629 9.247 -15.709 375 HD23 LEU 50 HD23 LEU 50 0.448 8.404 -14.704 376 H GLU 51 H GLU 51 3.796 8.414 -19.931 377 HA GLU 51 HA GLU 51 5.576 6.358 -20.744 378 HB2 GLU 51 HB2 GLU 51 4.873 8.967 -22.148 379 HB3 GLU 51 HB3 GLU 51 5.744 7.638 -22.900 380 HG2 GLU 51 HG2 GLU 51 2.892 7.580 -21.902 381 HG3 GLU 51 HG3 GLU 51 3.398 7.636 -23.581 382 H LEU 52 H LEU 52 6.044 9.850 -20.283 383 HA LEU 52 HA LEU 52 8.863 9.845 -20.725 384 HB2 LEU 52 HB2 LEU 52 7.118 11.931 -19.379 385 HB3 LEU 52 HB3 LEU 52 8.790 12.168 -19.861 386 HG LEU 52 HG LEU 52 6.449 11.689 -21.745 387 HD11 LEU 52 HD11 LEU 52 6.461 13.926 -20.736 388 HD12 LEU 52 HD12 LEU 52 6.789 13.990 -22.465 389 HD13 LEU 52 HD13 LEU 52 8.111 14.184 -21.310 390 HD21 LEU 52 HD21 LEU 52 8.035 12.099 -23.592 391 HD22 LEU 52 HD22 LEU 52 8.479 10.661 -22.678 392 HD23 LEU 52 HD23 LEU 52 9.371 12.165 -22.441 393 H TYR 53 H TYR 53 6.872 9.330 -17.910 394 HA TYR 53 HA TYR 53 8.867 9.773 -15.935 395 HB2 TYR 53 HB2 TYR 53 6.520 9.815 -15.273 396 HB3 TYR 53 HB3 TYR 53 6.286 8.149 -15.802 397 HD1 TYR 53 HD1 TYR 53 8.650 10.022 -13.510 398 HD2 TYR 53 HD2 TYR 53 6.170 6.579 -14.040 399 HE1 TYR 53 HE1 TYR 53 9.296 9.205 -11.293 400 HE2 TYR 53 HE2 TYR 53 6.832 5.770 -11.834 401 HH TYR 53 HH TYR 53 8.559 7.722 -9.591 402 H LYS 54 H LYS 54 7.737 6.784 -17.601 403 HA LYS 54 HA LYS 54 9.413 5.097 -15.961 404 HB2 LYS 54 HB2 LYS 54 8.569 3.225 -17.201 405 HB3 LYS 54 HB3 LYS 54 7.230 4.305 -16.866 406 HG2 LYS 54 HG2 LYS 54 7.352 5.143 -19.209 407 HG3 LYS 54 HG3 LYS 54 8.648 3.983 -19.528 408 HD2 LYS 54 HD2 LYS 54 7.034 2.139 -18.817 409 HD3 LYS 54 HD3 LYS 54 5.757 3.356 -18.791 410 HE2 LYS 54 HE2 LYS 54 7.404 2.566 -21.215 411 HE3 LYS 54 HE3 LYS 54 5.749 2.054 -20.890 412 HZ1 LYS 54 HZ1 LYS 54 5.068 4.369 -20.980 413 HZ2 LYS 54 HZ2 LYS 54 5.792 3.870 -22.425 414 HZ3 LYS 54 HZ3 LYS 54 6.657 4.833 -21.344 415 H ILE 55 H ILE 55 9.699 6.536 -19.179 416 HA ILE 55 HA ILE 55 12.178 5.132 -19.805 417 HB ILE 55 HB ILE 55 12.295 6.472 -21.822 418 HG12 ILE 55 HG12 ILE 55 10.054 8.186 -20.635 419 HG13 ILE 55 HG13 ILE 55 11.700 8.709 -20.962 420 HG21 ILE 55 HG21 ILE 55 9.394 5.682 -21.317 421 HG22 ILE 55 HG22 ILE 55 10.684 4.593 -21.837 422 HG23 ILE 55 HG23 ILE 55 10.152 5.894 -22.898 423 HD11 ILE 55 HD11 ILE 55 9.609 7.975 -23.009 424 HD12 ILE 55 HD12 ILE 55 11.281 8.418 -23.377 425 HD13 ILE 55 HD13 ILE 55 10.204 9.588 -22.618 426 H ASN 56 H ASN 56 11.292 7.779 -17.882 427 HA ASN 56 HA ASN 56 12.289 9.469 -16.828 428 HB2 ASN 56 HB2 ASN 56 13.612 7.543 -15.905 429 HB3 ASN 56 HB3 ASN 56 14.839 7.843 -17.124 430 HD21 ASN 56 HD21 ASN 56 13.346 9.067 -14.205 431 HD22 ASN 56 HD22 ASN 56 14.594 10.193 -13.807 432 H ALA 57 H ALA 57 11.708 10.409 -19.004 433 HA ALA 57 HA ALA 57 13.828 11.390 -20.689 434 HB1 ALA 57 HB1 ALA 57 11.552 10.996 -21.591 435 HB2 ALA 57 HB2 ALA 57 12.048 12.677 -21.797 436 HB3 ALA 57 HB3 ALA 57 10.915 12.243 -20.515 437 H LYS 58 H LYS 58 13.986 13.812 -21.062 438 HA LYS 58 HA LYS 58 14.897 15.120 -18.743 439 HB2 LYS 58 HB2 LYS 58 15.118 17.126 -20.237 440 HB3 LYS 58 HB3 LYS 58 15.841 15.664 -20.896 441 HG2 LYS 58 HG2 LYS 58 13.758 15.346 -22.276 442 HG3 LYS 58 HG3 LYS 58 13.215 16.928 -21.730 443 HD2 LYS 58 HD2 LYS 58 15.777 16.395 -23.274 444 HD3 LYS 58 HD3 LYS 58 14.281 17.010 -23.970 445 HE2 LYS 58 HE2 LYS 58 14.448 19.028 -22.550 446 HE3 LYS 58 HE3 LYS 58 15.961 18.426 -21.866 447 HZ1 LYS 58 HZ1 LYS 58 16.940 18.500 -24.066 448 HZ2 LYS 58 HZ2 LYS 58 16.344 20.025 -23.644 449 HZ3 LYS 58 HZ3 LYS 58 15.488 19.049 -24.733 450 H LEU 59 H LEU 59 13.857 16.174 -17.228 451 HA LEU 59 HA LEU 59 11.007 16.890 -17.510 452 HB2 LEU 59 HB2 LEU 59 11.616 15.271 -15.742 453 HB3 LEU 59 HB3 LEU 59 12.753 16.419 -15.056 454 HG LEU 59 HG LEU 59 10.868 17.913 -14.427 455 HD11 LEU 59 HD11 LEU 59 8.542 17.186 -14.581 456 HD12 LEU 59 HD12 LEU 59 9.027 15.725 -15.441 457 HD13 LEU 59 HD13 LEU 59 9.253 17.308 -16.187 458 HD21 LEU 59 HD21 LEU 59 10.517 15.073 -13.401 459 HD22 LEU 59 HD22 LEU 59 9.990 16.552 -12.593 460 HD23 LEU 59 HD23 LEU 59 11.706 16.242 -12.818 461 H CYS 60 H CYS 60 10.302 18.957 -16.770 462 HA CYS 60 HA CYS 60 12.372 21.076 -16.956 463 HB2 CYS 60 HB2 CYS 60 10.550 20.907 -18.745 464 HB3 CYS 60 HB3 CYS 60 9.404 21.391 -17.495 465 H ASP 61 H ASP 61 12.030 19.792 -14.552 466 HA ASP 61 HA ASP 61 10.295 21.219 -12.738 467 HB2 ASP 61 HB2 ASP 61 11.296 19.759 -11.024 468 HB3 ASP 61 HB3 ASP 61 10.871 18.803 -12.438 469 HA PRO 62 HA PRO 62 12.890 24.627 -11.363 470 HB2 PRO 62 HB2 PRO 62 12.956 24.331 -8.578 471 HB3 PRO 62 HB3 PRO 62 11.627 25.065 -9.483 472 HG2 PRO 62 HG2 PRO 62 11.899 22.215 -8.509 473 HG3 PRO 62 HG3 PRO 62 10.498 23.309 -8.396 474 HD2 PRO 62 HD2 PRO 62 10.559 21.435 -10.285 475 HD3 PRO 62 HD3 PRO 62 9.982 23.070 -10.692 476 H HIS 63 H HIS 63 15.038 24.785 -11.640 477 HA HIS 63 HA HIS 63 16.866 22.618 -11.108 478 HB2 HIS 63 HB2 HIS 63 17.326 25.430 -12.197 479 HB3 HIS 63 HB3 HIS 63 18.571 24.188 -12.108 480 HD1 HIS 63 HD1 HIS 63 15.531 25.183 -14.049 481 HD2 HIS 63 HD2 HIS 63 18.330 22.117 -14.016 482 HE1 HIS 63 HE1 HIS 63 15.170 23.919 -16.176 483 HE2 HIS 63 HE2 HIS 63 16.750 21.962 -16.043 484 HA PRO 64 HA PRO 64 17.798 24.168 -6.907 485 HB2 PRO 64 HB2 PRO 64 19.807 21.946 -6.875 486 HB3 PRO 64 HB3 PRO 64 18.443 22.239 -5.788 487 HG2 PRO 64 HG2 PRO 64 18.372 20.233 -7.578 488 HG3 PRO 64 HG3 PRO 64 16.911 21.182 -7.212 489 HD2 PRO 64 HD2 PRO 64 18.809 21.458 -9.557 490 HD3 PRO 64 HD3 PRO 64 17.030 21.415 -9.560 Start of MODEL 17 1 H MET 1 H MET 1 11.388 4.788 0.725 2 HA MET 1 HA MET 1 9.612 3.504 -0.182 3 HB2 MET 1 HB2 MET 1 8.052 3.824 1.749 4 HB3 MET 1 HB3 MET 1 7.784 5.486 1.252 5 HG2 MET 1 HG2 MET 1 6.739 4.697 -0.831 6 HG3 MET 1 HG3 MET 1 7.036 3.025 -0.353 7 HE1 MET 1 HE1 MET 1 6.373 3.113 2.810 8 HE2 MET 1 HE2 MET 1 5.807 1.835 1.733 9 HE3 MET 1 HE3 MET 1 4.667 2.672 2.788 10 H LYS 2 H LYS 2 9.239 4.024 -2.305 11 HA LYS 2 HA LYS 2 9.937 6.734 -3.205 12 HB2 LYS 2 HB2 LYS 2 9.768 4.068 -4.673 13 HB3 LYS 2 HB3 LYS 2 10.097 5.592 -5.486 14 HG2 LYS 2 HG2 LYS 2 11.832 4.339 -3.338 15 HG3 LYS 2 HG3 LYS 2 12.152 4.299 -5.075 16 HD2 LYS 2 HD2 LYS 2 11.986 6.808 -3.365 17 HD3 LYS 2 HD3 LYS 2 13.479 6.053 -3.915 18 HE2 LYS 2 HE2 LYS 2 12.912 6.558 -6.246 19 HE3 LYS 2 HE3 LYS 2 11.342 7.197 -5.757 20 HZ1 LYS 2 HZ1 LYS 2 12.500 8.935 -4.510 21 HZ2 LYS 2 HZ2 LYS 2 12.885 8.986 -6.156 22 HZ3 LYS 2 HZ3 LYS 2 13.989 8.345 -5.050 23 H ARG 3 H ARG 3 7.055 5.282 -2.457 24 HA ARG 3 HA ARG 3 5.601 5.385 -4.883 25 HB2 ARG 3 HB2 ARG 3 4.967 3.958 -2.929 26 HB3 ARG 3 HB3 ARG 3 4.447 5.398 -2.064 27 HG2 ARG 3 HG2 ARG 3 2.513 4.240 -3.021 28 HG3 ARG 3 HG3 ARG 3 2.718 5.817 -3.785 29 HD2 ARG 3 HD2 ARG 3 3.921 4.642 -5.688 30 HD3 ARG 3 HD3 ARG 3 3.450 3.108 -4.948 31 HE ARG 3 HE ARG 3 1.115 4.547 -5.218 32 HH11 ARG 3 HH11 ARG 3 3.552 3.300 -7.435 33 HH12 ARG 3 HH12 ARG 3 2.444 3.182 -8.763 34 HH21 ARG 3 HH21 ARG 3 -0.310 4.365 -6.987 35 HH22 ARG 3 HH22 ARG 3 0.274 3.783 -8.511 36 H ALA 4 H ALA 4 5.911 7.747 -2.258 37 HA ALA 4 HA ALA 4 3.983 9.616 -3.257 38 HB1 ALA 4 HB1 ALA 4 4.669 9.636 -0.891 39 HB2 ALA 4 HB2 ALA 4 4.949 11.205 -1.644 40 HB3 ALA 4 HB3 ALA 4 6.306 10.113 -1.353 41 H ALA 5 H ALA 5 7.516 9.337 -3.479 42 HA ALA 5 HA ALA 5 8.112 11.619 -5.011 43 HB1 ALA 5 HB1 ALA 5 10.226 10.473 -5.546 44 HB2 ALA 5 HB2 ALA 5 9.562 8.955 -4.934 45 HB3 ALA 5 HB3 ALA 5 9.824 10.308 -3.834 46 H ALA 6 H ALA 6 7.039 8.414 -5.908 47 HA ALA 6 HA ALA 6 7.472 8.497 -8.699 48 HB1 ALA 6 HB1 ALA 6 7.142 6.390 -7.455 49 HB2 ALA 6 HB2 ALA 6 5.987 6.538 -8.779 50 HB3 ALA 6 HB3 ALA 6 5.469 6.846 -7.118 51 H LYS 7 H LYS 7 4.583 9.029 -6.697 52 HA LYS 7 HA LYS 7 2.776 9.770 -8.721 53 HB2 LYS 7 HB2 LYS 7 2.028 9.116 -6.487 54 HB3 LYS 7 HB3 LYS 7 2.837 10.503 -5.765 55 HG2 LYS 7 HG2 LYS 7 1.289 12.040 -6.878 56 HG3 LYS 7 HG3 LYS 7 0.525 10.696 -7.731 57 HD2 LYS 7 HD2 LYS 7 0.530 11.099 -4.715 58 HD3 LYS 7 HD3 LYS 7 -0.815 11.479 -5.795 59 HE2 LYS 7 HE2 LYS 7 -0.961 9.083 -6.426 60 HE3 LYS 7 HE3 LYS 7 0.352 8.713 -5.302 61 HZ1 LYS 7 HZ1 LYS 7 -1.043 9.553 -3.500 62 HZ2 LYS 7 HZ2 LYS 7 -1.774 8.265 -4.307 63 HZ3 LYS 7 HZ3 LYS 7 -2.295 9.843 -4.595 64 H HIS 8 H HIS 8 4.991 11.695 -6.744 65 HA HIS 8 HA HIS 8 4.100 14.271 -7.539 66 HB2 HIS 8 HB2 HIS 8 6.783 13.415 -6.373 67 HB3 HIS 8 HB3 HIS 8 6.292 15.096 -6.596 68 HD1 HIS 8 HD1 HIS 8 6.950 13.648 -3.842 69 HD2 HIS 8 HD2 HIS 8 3.161 14.517 -5.314 70 HE1 HIS 8 HE1 HIS 8 5.457 13.746 -1.839 71 HE2 HIS 8 HE2 HIS 8 3.225 14.488 -2.731 72 H LEU 9 H LEU 9 6.666 12.123 -8.700 73 HA LEU 9 HA LEU 9 7.817 13.848 -10.616 74 HB2 LEU 9 HB2 LEU 9 8.068 11.018 -9.846 75 HB3 LEU 9 HB3 LEU 9 8.251 11.220 -11.570 76 HG LEU 9 HG LEU 9 10.420 11.230 -10.324 77 HD11 LEU 9 HD11 LEU 9 10.269 12.262 -12.522 78 HD12 LEU 9 HD12 LEU 9 11.384 13.158 -11.495 79 HD13 LEU 9 HD13 LEU 9 9.765 13.793 -11.802 80 HD21 LEU 9 HD21 LEU 9 9.463 13.883 -9.188 81 HD22 LEU 9 HD22 LEU 9 11.068 13.171 -8.986 82 HD23 LEU 9 HD23 LEU 9 9.662 12.380 -8.277 83 H ILE 10 H ILE 10 5.328 11.324 -10.926 84 HA ILE 10 HA ILE 10 4.683 11.585 -13.642 85 HB ILE 10 HB ILE 10 2.923 10.850 -11.258 86 HG12 ILE 10 HG12 ILE 10 4.176 9.024 -13.368 87 HG13 ILE 10 HG13 ILE 10 4.909 9.358 -11.803 88 HG21 ILE 10 HG21 ILE 10 1.314 9.849 -12.873 89 HG22 ILE 10 HG22 ILE 10 2.244 10.530 -14.211 90 HG23 ILE 10 HG23 ILE 10 1.440 11.598 -13.060 91 HD11 ILE 10 HD11 ILE 10 3.770 7.228 -11.818 92 HD12 ILE 10 HD12 ILE 10 2.251 8.013 -12.246 93 HD13 ILE 10 HD13 ILE 10 3.004 8.337 -10.681 94 H GLU 11 H GLU 11 3.592 13.360 -10.794 95 HA GLU 11 HA GLU 11 1.582 14.942 -12.033 96 HB2 GLU 11 HB2 GLU 11 1.824 14.401 -9.533 97 HB3 GLU 11 HB3 GLU 11 3.101 15.606 -9.474 98 HG2 GLU 11 HG2 GLU 11 1.091 16.629 -8.676 99 HG3 GLU 11 HG3 GLU 11 1.446 17.323 -10.259 100 H ARG 12 H ARG 12 5.054 15.346 -11.530 101 HA ARG 12 HA ARG 12 5.211 18.106 -12.280 102 HB2 ARG 12 HB2 ARG 12 7.402 15.982 -12.197 103 HB3 ARG 12 HB3 ARG 12 7.692 17.698 -12.479 104 HG2 ARG 12 HG2 ARG 12 6.526 16.484 -9.961 105 HG3 ARG 12 HG3 ARG 12 8.179 17.054 -10.154 106 HD2 ARG 12 HD2 ARG 12 7.482 19.333 -10.253 107 HD3 ARG 12 HD3 ARG 12 5.795 18.886 -10.535 108 HE ARG 12 HE ARG 12 5.753 18.000 -8.242 109 HH11 ARG 12 HH11 ARG 12 8.278 20.335 -8.927 110 HH12 ARG 12 HH12 ARG 12 8.326 20.927 -7.300 111 HH21 ARG 12 HH21 ARG 12 5.831 18.783 -6.118 112 HH22 ARG 12 HH22 ARG 12 6.944 20.049 -5.705 113 H TYR 13 H TYR 13 5.758 15.018 -13.970 114 HA TYR 13 HA TYR 13 6.371 16.085 -16.527 115 HB2 TYR 13 HB2 TYR 13 5.407 13.356 -15.611 116 HB3 TYR 13 HB3 TYR 13 5.608 13.708 -17.323 117 HD1 TYR 13 HD1 TYR 13 8.033 14.729 -17.950 118 HD2 TYR 13 HD2 TYR 13 7.223 12.339 -14.502 119 HE1 TYR 13 HE1 TYR 13 10.407 14.080 -17.833 120 HE2 TYR 13 HE2 TYR 13 9.585 11.694 -14.389 121 HH TYR 13 HH TYR 13 12.028 13.232 -16.170 122 H TYR 14 H TYR 14 3.334 15.321 -14.918 123 HA TYR 14 HA TYR 14 1.619 15.474 -17.191 124 HB2 TYR 14 HB2 TYR 14 0.895 14.251 -15.198 125 HB3 TYR 14 HB3 TYR 14 1.021 15.702 -14.211 126 HD1 TYR 14 HD1 TYR 14 -0.763 14.533 -17.332 127 HD2 TYR 14 HD2 TYR 14 -0.980 16.828 -13.733 128 HE1 TYR 14 HE1 TYR 14 -3.122 15.058 -17.798 129 HE2 TYR 14 HE2 TYR 14 -3.326 17.344 -14.198 130 HH TYR 14 HH TYR 14 -4.838 17.473 -16.122 131 H HIS 15 H HIS 15 2.194 17.721 -14.473 132 HA HIS 15 HA HIS 15 0.770 19.944 -15.490 133 HB2 HIS 15 HB2 HIS 15 3.022 19.809 -13.436 134 HB3 HIS 15 HB3 HIS 15 2.147 21.292 -13.811 135 HD1 HIS 15 HD1 HIS 15 1.913 20.682 -11.037 136 HD2 HIS 15 HD2 HIS 15 -0.574 18.811 -13.773 137 HE1 HIS 15 HE1 HIS 15 -0.070 19.910 -9.723 138 HE2 HIS 15 HE2 HIS 15 -1.404 18.544 -11.353 139 H GLN 16 H GLN 16 3.952 18.747 -16.092 140 HA GLN 16 HA GLN 16 5.168 20.996 -17.293 141 HB2 GLN 16 HB2 GLN 16 6.483 19.094 -16.596 142 HB3 GLN 16 HB3 GLN 16 5.546 18.000 -17.602 143 HG2 GLN 16 HG2 GLN 16 6.504 19.051 -19.613 144 HG3 GLN 16 HG3 GLN 16 7.471 20.108 -18.579 145 HE21 GLN 16 HE21 GLN 16 6.970 16.759 -19.564 146 HE22 GLN 16 HE22 GLN 16 8.520 16.186 -19.067 147 H LEU 17 H LEU 17 3.290 18.276 -18.677 148 HA LEU 17 HA LEU 17 3.498 19.202 -21.408 149 HB2 LEU 17 HB2 LEU 17 1.662 17.117 -20.166 150 HB3 LEU 17 HB3 LEU 17 1.914 17.347 -21.894 151 HG LEU 17 HG LEU 17 4.122 16.562 -19.962 152 HD11 LEU 17 HD11 LEU 17 3.924 14.272 -20.803 153 HD12 LEU 17 HD12 LEU 17 2.520 14.737 -21.769 154 HD13 LEU 17 HD13 LEU 17 2.438 14.791 -20.007 155 HD21 LEU 17 HD21 LEU 17 5.390 15.943 -21.971 156 HD22 LEU 17 HD22 LEU 17 4.961 17.652 -21.993 157 HD23 LEU 17 HD23 LEU 17 4.065 16.505 -22.994 158 H THR 18 H THR 18 0.978 19.288 -18.915 159 HA THR 18 HA THR 18 -1.072 20.326 -20.648 160 HB THR 18 HB THR 18 -2.416 20.494 -18.503 161 HG1 THR 18 HG1 THR 18 -1.380 20.409 -16.676 162 HG21 THR 18 HG21 THR 18 -1.075 17.801 -18.935 163 HG22 THR 18 HG22 THR 18 -2.471 18.408 -19.831 164 HG23 THR 18 HG23 THR 18 -2.607 18.083 -18.104 165 H GLU 19 H GLU 19 0.629 21.658 -17.777 166 HA GLU 19 HA GLU 19 -0.546 24.309 -18.281 167 HB2 GLU 19 HB2 GLU 19 1.133 23.469 -15.881 168 HB3 GLU 19 HB3 GLU 19 0.049 24.850 -16.003 169 HG2 GLU 19 HG2 GLU 19 -0.726 21.922 -15.864 170 HG3 GLU 19 HG3 GLU 19 -0.939 23.135 -14.607 171 H GLY 20 H GLY 20 2.551 22.665 -18.151 172 HA2 GLY 20 HA2 GLY 20 4.589 23.328 -19.067 173 HA3 GLY 20 HA3 GLY 20 4.023 24.988 -19.156 174 H CYS 21 H CYS 21 5.306 26.180 -17.961 175 HA CYS 21 HA CYS 21 5.848 25.564 -15.132 176 HB2 CYS 21 HB2 CYS 21 8.315 26.075 -15.530 177 HB3 CYS 21 HB3 CYS 21 7.744 24.564 -16.230 178 H GLY 22 H GLY 22 4.739 27.767 -17.264 179 HA2 GLY 22 HA2 GLY 22 4.313 30.036 -17.019 180 HA3 GLY 22 HA3 GLY 22 5.442 30.108 -15.679 181 H ASN 23 H ASN 23 7.630 28.862 -17.225 182 HA ASN 23 HA ASN 23 8.981 31.118 -18.104 183 HB2 ASN 23 HB2 ASN 23 10.089 29.050 -17.337 184 HB3 ASN 23 HB3 ASN 23 9.542 28.206 -18.779 185 HD21 ASN 23 HD21 ASN 23 10.845 31.512 -18.735 186 HD22 ASN 23 HD22 ASN 23 12.278 31.135 -19.617 187 H GLU 24 H GLU 24 8.661 32.331 -19.816 188 HA GLU 24 HA GLU 24 6.879 31.781 -21.903 189 HB2 GLU 24 HB2 GLU 24 7.709 33.981 -22.841 190 HB3 GLU 24 HB3 GLU 24 7.182 34.038 -21.162 191 HG2 GLU 24 HG2 GLU 24 9.593 33.864 -20.463 192 HG3 GLU 24 HG3 GLU 24 10.052 33.992 -22.156 193 H ALA 25 H ALA 25 10.467 31.963 -22.016 194 HA ALA 25 HA ALA 25 10.451 30.819 -24.755 195 HB1 ALA 25 HB1 ALA 25 12.726 31.744 -24.974 196 HB2 ALA 25 HB2 ALA 25 12.654 32.342 -23.315 197 HB3 ALA 25 HB3 ALA 25 11.576 33.011 -24.540 198 H CYS 26 H CYS 26 9.828 28.943 -23.089 199 HA CYS 26 HA CYS 26 12.032 27.658 -21.746 200 HB2 CYS 26 HB2 CYS 26 9.730 27.448 -20.874 201 HB3 CYS 26 HB3 CYS 26 9.232 26.616 -22.347 202 H THR 27 H THR 27 13.219 25.881 -22.402 203 HA THR 27 HA THR 27 12.915 24.989 -25.215 204 HB THR 27 HB THR 27 14.864 26.365 -25.173 205 HG1 THR 27 HG1 THR 27 16.157 23.890 -24.877 206 HG21 THR 27 HG21 THR 27 15.285 26.505 -22.753 207 HG22 THR 27 HG22 THR 27 16.762 26.092 -23.624 208 HG23 THR 27 HG23 THR 27 15.880 24.842 -22.749 209 H ASN 28 H ASN 28 11.496 23.399 -24.225 210 HA ASN 28 HA ASN 28 12.961 20.906 -23.769 211 HB2 ASN 28 HB2 ASN 28 12.331 21.808 -21.473 212 HB3 ASN 28 HB3 ASN 28 10.643 21.708 -21.942 213 HD21 ASN 28 HD21 ASN 28 11.791 20.393 -19.733 214 HD22 ASN 28 HD22 ASN 28 11.634 18.694 -19.974 215 H GLU 29 H GLU 29 12.272 19.671 -25.359 216 HA GLU 29 HA GLU 29 10.105 19.988 -27.053 217 HB2 GLU 29 HB2 GLU 29 10.567 17.573 -27.696 218 HB3 GLU 29 HB3 GLU 29 11.968 18.639 -27.715 219 HG2 GLU 29 HG2 GLU 29 12.583 17.766 -25.434 220 HG3 GLU 29 HG3 GLU 29 11.266 16.604 -25.582 221 H PHE 30 H PHE 30 10.271 18.226 -24.025 222 HA PHE 30 HA PHE 30 7.369 17.656 -24.080 223 HB2 PHE 30 HB2 PHE 30 9.435 16.715 -22.038 224 HB3 PHE 30 HB3 PHE 30 7.780 16.143 -22.204 225 HD1 PHE 30 HD1 PHE 30 7.230 15.090 -24.610 226 HD2 PHE 30 HD2 PHE 30 11.144 15.370 -22.902 227 HE1 PHE 30 HE1 PHE 30 7.997 13.245 -26.040 228 HE2 PHE 30 HE2 PHE 30 11.898 13.518 -24.339 229 HZ PHE 30 HZ PHE 30 10.322 12.454 -25.907 230 H CYS 31 H CYS 31 7.213 20.179 -23.840 231 HA CYS 31 HA CYS 31 6.296 20.611 -21.166 232 HB2 CYS 31 HB2 CYS 31 8.731 21.073 -20.775 233 HB3 CYS 31 HB3 CYS 31 8.661 22.369 -21.953 234 H ALA 32 H ALA 32 4.733 22.208 -21.141 235 HA ALA 32 HA ALA 32 3.957 23.471 -23.589 236 HB1 ALA 32 HB1 ALA 32 2.306 22.695 -21.920 237 HB2 ALA 32 HB2 ALA 32 2.116 24.413 -22.276 238 HB3 ALA 32 HB3 ALA 32 2.892 23.902 -20.779 239 H SER 33 H SER 33 3.749 25.785 -23.872 240 HA SER 33 HA SER 33 4.675 27.796 -24.236 241 HB2 SER 33 HB2 SER 33 5.898 27.517 -21.460 242 HB3 SER 33 HB3 SER 33 5.930 28.986 -22.429 243 HG SER 33 HG SER 33 3.420 27.933 -22.175 244 H CYS 34 H CYS 34 6.177 25.083 -24.649 245 HA CYS 34 HA CYS 34 8.704 26.352 -25.564 246 HB2 CYS 34 HB2 CYS 34 8.079 23.376 -25.378 247 HB3 CYS 34 HB3 CYS 34 9.651 24.126 -25.672 248 HG CYS 34 HG CYS 34 7.901 24.494 -22.765 249 HA PRO 35 HA PRO 35 6.719 26.221 -29.633 250 HB2 PRO 35 HB2 PRO 35 8.925 26.655 -31.214 251 HB3 PRO 35 HB3 PRO 35 8.153 27.936 -30.269 252 HG2 PRO 35 HG2 PRO 35 10.580 26.273 -29.564 253 HG3 PRO 35 HG3 PRO 35 10.367 28.035 -29.455 254 HD2 PRO 35 HD2 PRO 35 10.111 26.459 -27.278 255 HD3 PRO 35 HD3 PRO 35 9.070 27.881 -27.504 256 H THR 36 H THR 36 9.362 24.187 -28.686 257 HA THR 36 HA THR 36 9.346 22.269 -30.783 258 HB THR 36 HB THR 36 10.624 20.889 -29.032 259 HG1 THR 36 HG1 THR 36 9.797 21.721 -27.126 260 HG21 THR 36 HG21 THR 36 11.829 22.352 -30.614 261 HG22 THR 36 HG22 THR 36 12.612 22.352 -29.035 262 HG23 THR 36 HG23 THR 36 11.617 23.725 -29.523 263 H PHE 37 H PHE 37 7.346 22.729 -27.970 264 HA PHE 37 HA PHE 37 6.209 20.018 -28.109 265 HB2 PHE 37 HB2 PHE 37 6.842 20.809 -25.876 266 HB3 PHE 37 HB3 PHE 37 5.830 22.234 -26.066 267 HD1 PHE 37 HD1 PHE 37 5.653 18.488 -25.967 268 HD2 PHE 37 HD2 PHE 37 3.578 22.169 -25.295 269 HE1 PHE 37 HE1 PHE 37 3.766 17.258 -24.978 270 HE2 PHE 37 HE2 PHE 37 1.699 20.927 -24.313 271 HZ PHE 37 HZ PHE 37 1.791 18.472 -24.153 272 H LEU 38 H LEU 38 4.145 19.629 -28.724 273 HA LEU 38 HA LEU 38 2.442 21.883 -29.643 274 HB2 LEU 38 HB2 LEU 38 2.382 18.973 -30.541 275 HB3 LEU 38 HB3 LEU 38 1.420 20.286 -31.203 276 HG LEU 38 HG LEU 38 4.444 20.042 -31.419 277 HD11 LEU 38 HD11 LEU 38 3.318 18.366 -32.802 278 HD12 LEU 38 HD12 LEU 38 4.094 19.589 -33.803 279 HD13 LEU 38 HD13 LEU 38 2.345 19.628 -33.565 280 HD21 LEU 38 HD21 LEU 38 3.776 22.397 -31.362 281 HD22 LEU 38 HD22 LEU 38 2.603 22.119 -32.652 282 HD23 LEU 38 HD23 LEU 38 4.331 21.954 -32.975 283 H ARG 39 H ARG 39 0.221 21.777 -29.150 284 HA ARG 39 HA ARG 39 -0.292 21.066 -26.457 285 HB2 ARG 39 HB2 ARG 39 -2.197 22.068 -28.613 286 HB3 ARG 39 HB3 ARG 39 -2.625 21.914 -26.910 287 HG2 ARG 39 HG2 ARG 39 -0.484 23.733 -28.052 288 HG3 ARG 39 HG3 ARG 39 -2.080 24.228 -27.477 289 HD2 ARG 39 HD2 ARG 39 0.127 22.991 -25.791 290 HD3 ARG 39 HD3 ARG 39 -0.355 24.690 -25.797 291 HE ARG 39 HE ARG 39 -2.646 23.281 -25.178 292 HH11 ARG 39 HH11 ARG 39 0.537 23.633 -23.707 293 HH12 ARG 39 HH12 ARG 39 -0.064 23.393 -22.098 294 HH21 ARG 39 HH21 ARG 39 -3.382 22.948 -23.048 295 HH22 ARG 39 HH22 ARG 39 -2.258 22.997 -21.729 296 H MET 40 H MET 40 -1.454 19.498 -25.532 297 HA MET 40 HA MET 40 -2.944 17.529 -27.141 298 HB2 MET 40 HB2 MET 40 -1.956 15.659 -25.828 299 HB3 MET 40 HB3 MET 40 -0.731 16.514 -26.752 300 HG2 MET 40 HG2 MET 40 0.039 17.661 -24.729 301 HG3 MET 40 HG3 MET 40 -1.244 16.900 -23.789 302 HE1 MET 40 HE1 MET 40 0.911 15.142 -26.617 303 HE2 MET 40 HE2 MET 40 2.240 14.488 -25.662 304 HE3 MET 40 HE3 MET 40 2.073 16.233 -25.858 305 H ASP 41 H ASP 41 -4.476 16.311 -25.864 306 HA ASP 41 HA ASP 41 -5.888 17.849 -23.897 307 HB2 ASP 41 HB2 ASP 41 -6.269 14.969 -24.857 308 HB3 ASP 41 HB3 ASP 41 -7.383 15.804 -23.774 309 H ASN 42 H ASN 42 -6.467 17.043 -21.738 310 HA ASN 42 HA ASN 42 -4.242 16.389 -20.129 311 HB2 ASN 42 HB2 ASN 42 -7.205 16.207 -19.454 312 HB3 ASN 42 HB3 ASN 42 -5.902 16.114 -18.270 313 HD21 ASN 42 HD21 ASN 42 -7.979 18.028 -18.219 314 HD22 ASN 42 HD22 ASN 42 -7.278 19.590 -18.429 315 H ASN 43 H ASN 43 -6.613 14.386 -21.707 316 HA ASN 43 HA ASN 43 -6.166 11.916 -20.405 317 HB2 ASN 43 HB2 ASN 43 -6.925 12.375 -23.335 318 HB3 ASN 43 HB3 ASN 43 -7.146 10.879 -22.433 319 HD21 ASN 43 HD21 ASN 43 -9.364 10.798 -22.726 320 HD22 ASN 43 HD22 ASN 43 -10.458 11.926 -22.011 321 H ALA 44 H ALA 44 -4.825 13.280 -23.408 322 HA ALA 44 HA ALA 44 -2.988 11.200 -23.994 323 HB1 ALA 44 HB1 ALA 44 -2.996 14.090 -24.941 324 HB2 ALA 44 HB2 ALA 44 -3.842 12.743 -25.710 325 HB3 ALA 44 HB3 ALA 44 -2.078 12.769 -25.669 326 H ALA 45 H ALA 45 -2.750 14.142 -22.112 327 HA ALA 45 HA ALA 45 0.112 14.197 -21.856 328 HB1 ALA 45 HB1 ALA 45 -0.284 16.077 -20.339 329 HB2 ALA 45 HB2 ALA 45 -2.016 15.731 -20.341 330 HB3 ALA 45 HB3 ALA 45 -1.220 16.256 -21.824 331 H ALA 46 H ALA 46 -2.583 12.909 -19.971 332 HA ALA 46 HA ALA 46 -1.128 12.323 -17.585 333 HB1 ALA 46 HB1 ALA 46 -3.038 10.889 -16.990 334 HB2 ALA 46 HB2 ALA 46 -3.667 11.034 -18.636 335 HB3 ALA 46 HB3 ALA 46 -3.579 12.456 -17.597 336 H ILE 47 H ILE 47 -1.999 10.409 -20.460 337 HA ILE 47 HA ILE 47 -0.729 7.979 -19.772 338 HB ILE 47 HB ILE 47 -1.197 9.162 -22.557 339 HG12 ILE 47 HG12 ILE 47 -3.317 8.892 -21.311 340 HG13 ILE 47 HG13 ILE 47 -3.235 7.731 -22.627 341 HG21 ILE 47 HG21 ILE 47 0.496 7.402 -22.684 342 HG22 ILE 47 HG22 ILE 47 -1.005 6.829 -23.407 343 HG23 ILE 47 HG23 ILE 47 -0.542 6.287 -21.793 344 HD11 ILE 47 HD11 ILE 47 -4.180 6.721 -20.649 345 HD12 ILE 47 HD12 ILE 47 -2.754 7.148 -19.704 346 HD13 ILE 47 HD13 ILE 47 -2.627 5.974 -21.017 347 H LYS 48 H LYS 48 0.398 10.813 -21.645 348 HA LYS 48 HA LYS 48 2.975 9.772 -22.221 349 HB2 LYS 48 HB2 LYS 48 1.769 11.552 -23.553 350 HB3 LYS 48 HB3 LYS 48 2.120 12.691 -22.263 351 HG2 LYS 48 HG2 LYS 48 3.682 12.926 -24.163 352 HG3 LYS 48 HG3 LYS 48 4.521 12.483 -22.672 353 HD2 LYS 48 HD2 LYS 48 4.730 10.164 -23.409 354 HD3 LYS 48 HD3 LYS 48 3.732 10.482 -24.830 355 HE2 LYS 48 HE2 LYS 48 6.450 11.737 -24.308 356 HE3 LYS 48 HE3 LYS 48 6.166 10.343 -25.350 357 HZ1 LYS 48 HZ1 LYS 48 5.026 13.054 -25.755 358 HZ2 LYS 48 HZ2 LYS 48 4.774 11.715 -26.755 359 HZ3 LYS 48 HZ3 LYS 48 6.318 12.385 -26.616 360 H ALA 49 H ALA 49 1.668 11.557 -19.478 361 HA ALA 49 HA ALA 49 4.084 12.389 -18.244 362 HB1 ALA 49 HB1 ALA 49 2.779 12.515 -16.156 363 HB2 ALA 49 HB2 ALA 49 1.467 11.605 -16.910 364 HB3 ALA 49 HB3 ALA 49 1.880 13.212 -17.506 365 H LEU 50 H LEU 50 2.171 9.406 -17.971 366 HA LEU 50 HA LEU 50 3.866 8.015 -16.167 367 HB2 LEU 50 HB2 LEU 50 1.663 7.198 -18.060 368 HB3 LEU 50 HB3 LEU 50 2.685 5.934 -17.408 369 HG LEU 50 HG LEU 50 0.594 6.167 -16.127 370 HD11 LEU 50 HD11 LEU 50 2.564 5.310 -14.972 371 HD12 LEU 50 HD12 LEU 50 1.551 6.237 -13.871 372 HD13 LEU 50 HD13 LEU 50 3.037 6.948 -14.507 373 HD21 LEU 50 HD21 LEU 50 0.169 8.553 -16.426 374 HD22 LEU 50 HD22 LEU 50 1.551 8.954 -15.407 375 HD23 LEU 50 HD23 LEU 50 0.151 8.127 -14.718 376 H GLU 51 H GLU 51 3.811 8.235 -19.715 377 HA GLU 51 HA GLU 51 5.769 6.229 -20.215 378 HB2 GLU 51 HB2 GLU 51 5.073 8.601 -21.995 379 HB3 GLU 51 HB3 GLU 51 5.903 7.129 -22.495 380 HG2 GLU 51 HG2 GLU 51 3.004 7.474 -21.718 381 HG3 GLU 51 HG3 GLU 51 3.655 6.930 -23.257 382 H LEU 52 H LEU 52 5.959 9.735 -19.815 383 HA LEU 52 HA LEU 52 8.749 9.976 -20.328 384 HB2 LEU 52 HB2 LEU 52 6.842 11.875 -18.924 385 HB3 LEU 52 HB3 LEU 52 8.509 12.262 -19.328 386 HG LEU 52 HG LEU 52 6.259 11.726 -21.299 387 HD11 LEU 52 HD11 LEU 52 7.767 14.276 -20.680 388 HD12 LEU 52 HD12 LEU 52 6.102 13.911 -20.226 389 HD13 LEU 52 HD13 LEU 52 6.530 14.078 -21.927 390 HD21 LEU 52 HD21 LEU 52 7.856 12.266 -23.081 391 HD22 LEU 52 HD22 LEU 52 8.349 10.825 -22.201 392 HD23 LEU 52 HD23 LEU 52 9.163 12.362 -21.900 393 H TYR 53 H TYR 53 6.855 9.231 -17.487 394 HA TYR 53 HA TYR 53 9.008 9.644 -15.620 395 HB2 TYR 53 HB2 TYR 53 6.691 9.779 -14.823 396 HB3 TYR 53 HB3 TYR 53 6.390 8.109 -15.307 397 HD1 TYR 53 HD1 TYR 53 9.243 9.693 -13.423 398 HD2 TYR 53 HD2 TYR 53 6.051 6.850 -13.318 399 HE1 TYR 53 HE1 TYR 53 10.013 8.911 -11.229 400 HE2 TYR 53 HE2 TYR 53 6.823 6.081 -11.116 401 HH TYR 53 HH TYR 53 9.050 6.042 -9.875 402 H LYS 54 H LYS 54 7.647 6.777 -17.310 403 HA LYS 54 HA LYS 54 9.280 4.886 -15.911 404 HB2 LYS 54 HB2 LYS 54 8.387 3.191 -17.381 405 HB3 LYS 54 HB3 LYS 54 7.087 4.272 -16.904 406 HG2 LYS 54 HG2 LYS 54 7.195 5.386 -19.095 407 HG3 LYS 54 HG3 LYS 54 8.524 4.334 -19.574 408 HD2 LYS 54 HD2 LYS 54 6.511 3.493 -20.591 409 HD3 LYS 54 HD3 LYS 54 6.988 2.359 -19.330 410 HE2 LYS 54 HE2 LYS 54 4.860 4.493 -18.948 411 HE3 LYS 54 HE3 LYS 54 4.503 2.858 -19.489 412 HZ1 LYS 54 HZ1 LYS 54 5.641 3.664 -16.874 413 HZ2 LYS 54 HZ2 LYS 54 5.514 2.061 -17.389 414 HZ3 LYS 54 HZ3 LYS 54 4.122 2.989 -17.168 415 H ILE 55 H ILE 55 9.705 6.707 -18.877 416 HA ILE 55 HA ILE 55 12.179 5.298 -19.577 417 HB ILE 55 HB ILE 55 12.337 6.756 -21.511 418 HG12 ILE 55 HG12 ILE 55 9.993 8.342 -20.366 419 HG13 ILE 55 HG13 ILE 55 11.641 8.922 -20.557 420 HG21 ILE 55 HG21 ILE 55 9.457 5.833 -21.163 421 HG22 ILE 55 HG22 ILE 55 10.808 4.834 -21.700 422 HG23 ILE 55 HG23 ILE 55 10.248 6.167 -22.708 423 HD11 ILE 55 HD11 ILE 55 10.270 9.859 -22.267 424 HD12 ILE 55 HD12 ILE 55 9.675 8.272 -22.747 425 HD13 ILE 55 HD13 ILE 55 11.367 8.702 -23.020 426 H ASN 56 H ASN 56 11.142 7.926 -17.650 427 HA ASN 56 HA ASN 56 12.035 9.694 -16.610 428 HB2 ASN 56 HB2 ASN 56 13.388 7.918 -15.505 429 HB3 ASN 56 HB3 ASN 56 14.635 8.111 -16.735 430 HD21 ASN 56 HD21 ASN 56 12.793 10.707 -15.106 431 HD22 ASN 56 HD22 ASN 56 14.163 11.414 -14.331 432 H ALA 57 H ALA 57 11.546 10.845 -18.536 433 HA ALA 57 HA ALA 57 13.562 11.531 -20.471 434 HB1 ALA 57 HB1 ALA 57 10.786 12.691 -20.006 435 HB2 ALA 57 HB2 ALA 57 11.172 11.353 -21.086 436 HB3 ALA 57 HB3 ALA 57 11.801 12.963 -21.429 437 H LYS 58 H LYS 58 13.673 14.006 -20.981 438 HA LYS 58 HA LYS 58 14.910 15.398 -18.841 439 HB2 LYS 58 HB2 LYS 58 14.965 17.339 -20.465 440 HB3 LYS 58 HB3 LYS 58 15.689 15.849 -21.055 441 HG2 LYS 58 HG2 LYS 58 13.599 15.391 -22.339 442 HG3 LYS 58 HG3 LYS 58 12.971 16.958 -21.833 443 HD2 LYS 58 HD2 LYS 58 15.507 16.526 -23.471 444 HD3 LYS 58 HD3 LYS 58 13.950 17.054 -24.114 445 HE2 LYS 58 HE2 LYS 58 14.068 19.126 -22.862 446 HE3 LYS 58 HE3 LYS 58 15.524 18.596 -22.017 447 HZ1 LYS 58 HZ1 LYS 58 15.304 19.080 -24.934 448 HZ2 LYS 58 HZ2 LYS 58 16.704 18.606 -24.116 449 HZ3 LYS 58 HZ3 LYS 58 16.022 20.124 -23.817 450 H LEU 59 H LEU 59 13.707 15.863 -17.162 451 HA LEU 59 HA LEU 59 11.009 16.920 -17.300 452 HB2 LEU 59 HB2 LEU 59 11.688 15.272 -15.571 453 HB3 LEU 59 HB3 LEU 59 12.856 16.416 -14.930 454 HG LEU 59 HG LEU 59 11.020 17.924 -14.231 455 HD11 LEU 59 HD11 LEU 59 9.114 15.793 -15.249 456 HD12 LEU 59 HD12 LEU 59 9.339 17.404 -15.930 457 HD13 LEU 59 HD13 LEU 59 8.669 17.225 -14.315 458 HD21 LEU 59 HD21 LEU 59 10.129 16.571 -12.396 459 HD22 LEU 59 HD22 LEU 59 11.841 16.238 -12.642 460 HD23 LEU 59 HD23 LEU 59 10.631 15.089 -13.218 461 H CYS 60 H CYS 60 10.391 18.989 -16.620 462 HA CYS 60 HA CYS 60 12.456 21.094 -16.808 463 HB2 CYS 60 HB2 CYS 60 10.575 21.056 -18.489 464 HB3 CYS 60 HB3 CYS 60 9.436 21.334 -17.171 465 H ASP 61 H ASP 61 12.091 19.613 -14.440 466 HA ASP 61 HA ASP 61 11.345 21.679 -12.489 467 HB2 ASP 61 HB2 ASP 61 9.400 20.161 -12.656 468 HB3 ASP 61 HB3 ASP 61 10.437 18.757 -12.475 469 HA PRO 62 HA PRO 62 15.496 20.723 -11.681 470 HB2 PRO 62 HB2 PRO 62 15.522 22.111 -9.095 471 HB3 PRO 62 HB3 PRO 62 16.090 22.689 -10.662 472 HG2 PRO 62 HG2 PRO 62 13.885 23.721 -9.391 473 HG3 PRO 62 HG3 PRO 62 14.082 23.724 -11.157 474 HD2 PRO 62 HD2 PRO 62 12.502 21.815 -9.428 475 HD3 PRO 62 HD3 PRO 62 12.042 22.583 -10.967 476 H HIS 63 H HIS 63 16.077 18.665 -11.250 477 HA HIS 63 HA HIS 63 16.137 17.741 -8.426 478 HB2 HIS 63 HB2 HIS 63 15.728 16.031 -10.935 479 HB3 HIS 63 HB3 HIS 63 16.049 15.374 -9.333 480 HD1 HIS 63 HD1 HIS 63 14.098 15.327 -7.660 481 HD2 HIS 63 HD2 HIS 63 13.114 17.091 -11.284 482 HE1 HIS 63 HE1 HIS 63 11.606 15.589 -7.623 483 HE2 HIS 63 HE2 HIS 63 11.076 16.857 -9.729 484 HA PRO 64 HA PRO 64 20.558 18.280 -9.771 485 HB2 PRO 64 HB2 PRO 64 20.992 18.117 -6.799 486 HB3 PRO 64 HB3 PRO 64 21.565 19.327 -7.956 487 HG2 PRO 64 HG2 PRO 64 19.576 19.914 -6.256 488 HG3 PRO 64 HG3 PRO 64 19.532 20.502 -7.934 489 HD2 PRO 64 HD2 PRO 64 18.085 18.136 -6.716 490 HD3 PRO 64 HD3 PRO 64 17.454 19.398 -7.802 Start of MODEL 18 1 H MET 1 H MET 1 9.510 1.506 -8.051 2 HA MET 1 HA MET 1 8.126 1.490 -6.080 3 HB2 MET 1 HB2 MET 1 9.929 1.416 -4.431 4 HB3 MET 1 HB3 MET 1 10.513 0.767 -5.954 5 HG2 MET 1 HG2 MET 1 11.692 2.867 -6.417 6 HG3 MET 1 HG3 MET 1 11.083 3.553 -4.908 7 HE1 MET 1 HE1 MET 1 14.857 3.066 -4.011 8 HE2 MET 1 HE2 MET 1 13.495 4.185 -4.005 9 HE3 MET 1 HE3 MET 1 14.178 3.632 -5.536 10 H LYS 2 H LYS 2 7.964 2.583 -3.848 11 HA LYS 2 HA LYS 2 7.082 4.227 -2.573 12 HB2 LYS 2 HB2 LYS 2 9.464 5.040 -2.755 13 HB3 LYS 2 HB3 LYS 2 8.992 6.037 -4.117 14 HG2 LYS 2 HG2 LYS 2 9.109 7.485 -2.231 15 HG3 LYS 2 HG3 LYS 2 7.396 7.257 -2.576 16 HD2 LYS 2 HD2 LYS 2 7.796 7.171 -0.168 17 HD3 LYS 2 HD3 LYS 2 7.249 5.598 -0.750 18 HE2 LYS 2 HE2 LYS 2 9.115 5.452 0.907 19 HE3 LYS 2 HE3 LYS 2 9.504 4.701 -0.638 20 HZ1 LYS 2 HZ1 LYS 2 11.334 6.014 0.210 21 HZ2 LYS 2 HZ2 LYS 2 10.377 7.405 0.234 22 HZ3 LYS 2 HZ3 LYS 2 10.766 6.670 -1.238 23 H ARG 3 H ARG 3 5.037 3.876 -3.715 24 HA ARG 3 HA ARG 3 4.505 4.882 -6.292 25 HB2 ARG 3 HB2 ARG 3 3.416 2.879 -5.248 26 HB3 ARG 3 HB3 ARG 3 2.452 3.956 -4.244 27 HG2 ARG 3 HG2 ARG 3 1.397 4.905 -6.283 28 HG3 ARG 3 HG3 ARG 3 2.376 3.829 -7.282 29 HD2 ARG 3 HD2 ARG 3 0.240 3.008 -5.288 30 HD3 ARG 3 HD3 ARG 3 0.124 2.913 -7.048 31 HE ARG 3 HE ARG 3 2.119 1.350 -5.510 32 HH11 ARG 3 HH11 ARG 3 -0.400 1.427 -7.965 33 HH12 ARG 3 HH12 ARG 3 -0.250 -0.260 -8.324 34 HH21 ARG 3 HH21 ARG 3 2.293 -0.841 -5.999 35 HH22 ARG 3 HH22 ARG 3 1.277 -1.549 -7.212 36 H ALA 4 H ALA 4 3.827 6.319 -3.138 37 HA ALA 4 HA ALA 4 1.895 8.244 -3.981 38 HB1 ALA 4 HB1 ALA 4 2.258 9.296 -1.788 39 HB2 ALA 4 HB2 ALA 4 3.700 8.306 -1.538 40 HB3 ALA 4 HB3 ALA 4 2.112 7.546 -1.634 41 H ALA 5 H ALA 5 5.375 8.629 -3.151 42 HA ALA 5 HA ALA 5 5.616 11.309 -4.116 43 HB1 ALA 5 HB1 ALA 5 7.151 10.387 -2.427 44 HB2 ALA 5 HB2 ALA 5 8.040 10.989 -3.825 45 HB3 ALA 5 HB3 ALA 5 7.798 9.252 -3.615 46 H ALA 6 H ALA 6 5.947 8.168 -5.610 47 HA ALA 6 HA ALA 6 7.265 8.914 -8.019 48 HB1 ALA 6 HB1 ALA 6 7.206 6.580 -7.229 49 HB2 ALA 6 HB2 ALA 6 6.553 6.715 -8.864 50 HB3 ALA 6 HB3 ALA 6 5.460 6.529 -7.487 51 H LYS 7 H LYS 7 3.863 8.608 -7.056 52 HA LYS 7 HA LYS 7 2.716 9.234 -9.595 53 HB2 LYS 7 HB2 LYS 7 1.430 8.033 -7.860 54 HB3 LYS 7 HB3 LYS 7 1.510 9.439 -6.802 55 HG2 LYS 7 HG2 LYS 7 0.179 10.739 -8.452 56 HG3 LYS 7 HG3 LYS 7 0.070 9.309 -9.482 57 HD2 LYS 7 HD2 LYS 7 -1.196 8.122 -7.734 58 HD3 LYS 7 HD3 LYS 7 -1.018 9.502 -6.643 59 HE2 LYS 7 HE2 LYS 7 -2.326 10.901 -8.213 60 HE3 LYS 7 HE3 LYS 7 -2.512 9.513 -9.289 61 HZ1 LYS 7 HZ1 LYS 7 -3.526 9.665 -6.499 62 HZ2 LYS 7 HZ2 LYS 7 -3.746 8.376 -7.569 63 HZ3 LYS 7 HZ3 LYS 7 -4.458 9.870 -7.894 64 H HIS 8 H HIS 8 3.727 11.128 -6.790 65 HA HIS 8 HA HIS 8 2.756 13.645 -7.776 66 HB2 HIS 8 HB2 HIS 8 3.229 13.181 -5.335 67 HB3 HIS 8 HB3 HIS 8 4.952 13.204 -5.700 68 HD1 HIS 8 HD1 HIS 8 5.715 15.350 -4.614 69 HD2 HIS 8 HD2 HIS 8 2.242 15.884 -6.838 70 HE1 HIS 8 HE1 HIS 8 5.241 17.817 -4.568 71 HE2 HIS 8 HE2 HIS 8 3.076 18.092 -5.809 72 H LEU 9 H LEU 9 5.642 11.744 -8.294 73 HA LEU 9 HA LEU 9 7.178 13.830 -9.576 74 HB2 LEU 9 HB2 LEU 9 7.833 11.360 -8.515 75 HB3 LEU 9 HB3 LEU 9 7.828 10.992 -10.225 76 HG LEU 9 HG LEU 9 10.096 11.516 -9.433 77 HD11 LEU 9 HD11 LEU 9 9.589 12.055 -11.759 78 HD12 LEU 9 HD12 LEU 9 10.760 13.183 -11.083 79 HD13 LEU 9 HD13 LEU 9 9.078 13.679 -11.289 80 HD21 LEU 9 HD21 LEU 9 10.717 13.741 -8.625 81 HD22 LEU 9 HD22 LEU 9 9.519 12.997 -7.569 82 HD23 LEU 9 HD23 LEU 9 9.030 14.260 -8.701 83 H ILE 10 H ILE 10 4.981 11.249 -10.593 84 HA ILE 10 HA ILE 10 5.008 11.671 -13.387 85 HB ILE 10 HB ILE 10 2.772 10.720 -11.536 86 HG12 ILE 10 HG12 ILE 10 4.511 9.078 -13.446 87 HG13 ILE 10 HG13 ILE 10 4.849 9.276 -11.731 88 HG21 ILE 10 HG21 ILE 10 1.716 11.626 -13.552 89 HG22 ILE 10 HG22 ILE 10 1.574 9.870 -13.536 90 HG23 ILE 10 HG23 ILE 10 2.766 10.649 -14.580 91 HD11 ILE 10 HD11 ILE 10 2.396 7.973 -12.898 92 HD12 ILE 10 HD12 ILE 10 2.747 8.164 -11.179 93 HD13 ILE 10 HD13 ILE 10 3.783 7.152 -12.184 94 H GLU 11 H GLU 11 3.290 13.225 -10.716 95 HA GLU 11 HA GLU 11 1.683 15.040 -12.185 96 HB2 GLU 11 HB2 GLU 11 1.185 14.448 -9.839 97 HB3 GLU 11 HB3 GLU 11 2.697 15.170 -9.311 98 HG2 GLU 11 HG2 GLU 11 0.897 16.671 -8.754 99 HG3 GLU 11 HG3 GLU 11 1.860 17.408 -10.030 100 H ARG 12 H ARG 12 5.051 15.175 -11.074 101 HA ARG 12 HA ARG 12 5.578 17.922 -11.614 102 HB2 ARG 12 HB2 ARG 12 7.488 15.538 -11.767 103 HB3 ARG 12 HB3 ARG 12 7.989 17.226 -11.736 104 HG2 ARG 12 HG2 ARG 12 6.350 16.051 -9.495 105 HG3 ARG 12 HG3 ARG 12 8.089 15.823 -9.542 106 HD2 ARG 12 HD2 ARG 12 6.987 18.618 -9.753 107 HD3 ARG 12 HD3 ARG 12 7.019 17.819 -8.178 108 HE ARG 12 HE ARG 12 9.521 17.785 -9.676 109 HH11 ARG 12 HH11 ARG 12 7.657 19.534 -7.240 110 HH12 ARG 12 HH12 ARG 12 9.075 20.168 -6.463 111 HH21 ARG 12 HH21 ARG 12 11.338 18.619 -8.619 112 HH22 ARG 12 HH22 ARG 12 11.141 19.652 -7.238 113 H TYR 13 H TYR 13 5.837 14.982 -13.602 114 HA TYR 13 HA TYR 13 6.618 16.301 -16.039 115 HB2 TYR 13 HB2 TYR 13 5.657 13.500 -15.367 116 HB3 TYR 13 HB3 TYR 13 5.931 13.987 -17.041 117 HD1 TYR 13 HD1 TYR 13 8.306 15.078 -17.530 118 HD2 TYR 13 HD2 TYR 13 7.476 12.528 -14.202 119 HE1 TYR 13 HE1 TYR 13 10.688 14.498 -17.377 120 HE2 TYR 13 HE2 TYR 13 9.848 11.953 -14.053 121 HH TYR 13 HH TYR 13 12.293 13.626 -15.816 122 H TYR 14 H TYR 14 3.544 15.456 -14.589 123 HA TYR 14 HA TYR 14 1.920 15.674 -16.942 124 HB2 TYR 14 HB2 TYR 14 1.236 14.334 -14.930 125 HB3 TYR 14 HB3 TYR 14 1.105 15.822 -13.998 126 HD1 TYR 14 HD1 TYR 14 -0.400 13.864 -16.777 127 HD2 TYR 14 HD2 TYR 14 -0.874 17.247 -14.203 128 HE1 TYR 14 HE1 TYR 14 -2.731 14.093 -17.500 129 HE2 TYR 14 HE2 TYR 14 -3.199 17.475 -14.933 130 HH TYR 14 HH TYR 14 -4.797 15.029 -16.734 131 H HIS 15 H HIS 15 2.670 17.736 -14.182 132 HA HIS 15 HA HIS 15 1.271 20.076 -14.909 133 HB2 HIS 15 HB2 HIS 15 2.227 19.594 -12.628 134 HB3 HIS 15 HB3 HIS 15 3.852 19.808 -13.268 135 HD1 HIS 15 HD1 HIS 15 0.883 21.672 -12.060 136 HD2 HIS 15 HD2 HIS 15 4.549 22.547 -13.807 137 HE1 HIS 15 HE1 HIS 15 1.240 24.128 -11.697 138 HE2 HIS 15 HE2 HIS 15 3.440 24.636 -12.792 139 H GLN 16 H GLN 16 4.479 18.819 -15.676 140 HA GLN 16 HA GLN 16 5.594 21.048 -17.010 141 HB2 GLN 16 HB2 GLN 16 7.013 19.271 -16.230 142 HB3 GLN 16 HB3 GLN 16 6.121 18.062 -17.139 143 HG2 GLN 16 HG2 GLN 16 7.000 19.013 -19.249 144 HG3 GLN 16 HG3 GLN 16 7.925 20.198 -18.323 145 HE21 GLN 16 HE21 GLN 16 8.771 17.965 -20.131 146 HE22 GLN 16 HE22 GLN 16 9.902 17.058 -19.199 147 H LEU 17 H LEU 17 3.405 18.505 -18.100 148 HA LEU 17 HA LEU 17 3.580 19.269 -20.914 149 HB2 LEU 17 HB2 LEU 17 1.830 17.276 -19.430 150 HB3 LEU 17 HB3 LEU 17 1.729 17.542 -21.167 151 HG LEU 17 HG LEU 17 4.236 16.585 -19.735 152 HD11 LEU 17 HD11 LEU 17 3.781 14.369 -20.666 153 HD12 LEU 17 HD12 LEU 17 2.239 14.946 -21.303 154 HD13 LEU 17 HD13 LEU 17 2.508 14.881 -19.559 155 HD21 LEU 17 HD21 LEU 17 3.615 16.740 -22.704 156 HD22 LEU 17 HD22 LEU 17 5.072 16.047 -21.988 157 HD23 LEU 17 HD23 LEU 17 4.748 17.767 -21.817 158 H THR 18 H THR 18 1.089 19.470 -18.345 159 HA THR 18 HA THR 18 -0.887 20.611 -20.108 160 HB THR 18 HB THR 18 -2.276 20.781 -17.989 161 HG1 THR 18 HG1 THR 18 -1.387 19.849 -16.097 162 HG21 THR 18 HG21 THR 18 -2.370 18.736 -19.385 163 HG22 THR 18 HG22 THR 18 -2.551 18.353 -17.673 164 HG23 THR 18 HG23 THR 18 -1.012 18.057 -18.482 165 H GLU 19 H GLU 19 1.197 21.831 -17.519 166 HA GLU 19 HA GLU 19 0.188 24.584 -17.898 167 HB2 GLU 19 HB2 GLU 19 1.926 23.446 -15.664 168 HB3 GLU 19 HB3 GLU 19 1.261 25.078 -15.726 169 HG2 GLU 19 HG2 GLU 19 -0.336 22.501 -15.505 170 HG3 GLU 19 HG3 GLU 19 -0.019 23.645 -14.200 171 H GLY 20 H GLY 20 3.104 22.619 -17.914 172 HA2 GLY 20 HA2 GLY 20 5.054 22.968 -19.150 173 HA3 GLY 20 HA3 GLY 20 4.619 24.657 -19.364 174 H CYS 21 H CYS 21 6.098 25.867 -18.431 175 HA CYS 21 HA CYS 21 6.750 25.563 -15.598 176 HB2 CYS 21 HB2 CYS 21 9.223 25.555 -16.030 177 HB3 CYS 21 HB3 CYS 21 8.422 24.102 -16.628 178 H GLY 22 H GLY 22 5.645 27.572 -17.786 179 HA2 GLY 22 HA2 GLY 22 5.287 29.843 -17.549 180 HA3 GLY 22 HA3 GLY 22 6.525 29.911 -16.308 181 H ASN 23 H ASN 23 8.578 28.703 -18.071 182 HA ASN 23 HA ASN 23 9.863 30.981 -18.997 183 HB2 ASN 23 HB2 ASN 23 10.326 28.131 -19.969 184 HB3 ASN 23 HB3 ASN 23 11.470 29.463 -20.102 185 HD21 ASN 23 HD21 ASN 23 11.937 26.958 -18.891 186 HD22 ASN 23 HD22 ASN 23 12.289 27.230 -17.225 187 H GLU 24 H GLU 24 9.287 32.268 -20.653 188 HA GLU 24 HA GLU 24 7.365 31.732 -22.620 189 HB2 GLU 24 HB2 GLU 24 8.168 33.847 -23.693 190 HB3 GLU 24 HB3 GLU 24 7.889 34.001 -21.963 191 HG2 GLU 24 HG2 GLU 24 10.359 33.725 -21.599 192 HG3 GLU 24 HG3 GLU 24 10.577 33.751 -23.349 193 H ALA 25 H ALA 25 10.786 31.050 -22.654 194 HA ALA 25 HA ALA 25 10.525 29.741 -25.292 195 HB1 ALA 25 HB1 ALA 25 12.765 30.522 -25.939 196 HB2 ALA 25 HB2 ALA 25 12.901 31.440 -24.437 197 HB3 ALA 25 HB3 ALA 25 11.694 31.893 -25.643 198 H CYS 26 H CYS 26 10.088 28.010 -23.610 199 HA CYS 26 HA CYS 26 12.413 26.846 -22.293 200 HB2 CYS 26 HB2 CYS 26 10.232 26.487 -21.267 201 HB3 CYS 26 HB3 CYS 26 9.600 25.772 -22.738 202 H THR 27 H THR 27 13.558 25.027 -22.969 203 HA THR 27 HA THR 27 13.348 24.369 -25.856 204 HB THR 27 HB THR 27 15.812 23.902 -25.722 205 HG1 THR 27 HG1 THR 27 16.641 23.686 -23.795 206 HG21 THR 27 HG21 THR 27 15.080 26.159 -26.439 207 HG22 THR 27 HG22 THR 27 16.579 26.251 -25.514 208 HG23 THR 27 HG23 THR 27 15.049 26.690 -24.755 209 H ASN 28 H ASN 28 11.633 22.845 -24.746 210 HA ASN 28 HA ASN 28 12.801 20.178 -24.752 211 HB2 ASN 28 HB2 ASN 28 12.866 20.735 -22.341 212 HB3 ASN 28 HB3 ASN 28 11.160 21.176 -22.379 213 HD21 ASN 28 HD21 ASN 28 10.767 19.618 -20.722 214 HD22 ASN 28 HD22 ASN 28 10.718 17.929 -21.069 215 H GLU 29 H GLU 29 11.622 19.207 -26.302 216 HA GLU 29 HA GLU 29 9.065 19.962 -27.236 217 HB2 GLU 29 HB2 GLU 29 9.107 17.827 -28.510 218 HB3 GLU 29 HB3 GLU 29 10.631 18.703 -28.631 219 HG2 GLU 29 HG2 GLU 29 11.653 17.202 -26.979 220 HG3 GLU 29 HG3 GLU 29 10.130 16.337 -26.790 221 H PHE 30 H PHE 30 9.976 17.991 -24.562 222 HA PHE 30 HA PHE 30 7.391 16.653 -24.228 223 HB2 PHE 30 HB2 PHE 30 9.857 16.629 -22.424 224 HB3 PHE 30 HB3 PHE 30 8.488 15.526 -22.338 225 HD1 PHE 30 HD1 PHE 30 8.001 14.239 -24.688 226 HD2 PHE 30 HD2 PHE 30 11.801 15.787 -23.441 227 HE1 PHE 30 HE1 PHE 30 9.160 12.656 -26.182 228 HE2 PHE 30 HE2 PHE 30 12.932 14.200 -24.939 229 HZ PHE 30 HZ PHE 30 11.618 12.635 -26.309 230 H CYS 31 H CYS 31 7.407 19.617 -24.045 231 HA CYS 31 HA CYS 31 6.380 20.029 -21.339 232 HB2 CYS 31 HB2 CYS 31 8.875 20.363 -21.178 233 HB3 CYS 31 HB3 CYS 31 8.756 21.631 -22.361 234 H ALA 32 H ALA 32 4.857 21.659 -21.293 235 HA ALA 32 HA ALA 32 4.338 23.338 -23.583 236 HB1 ALA 32 HB1 ALA 32 3.135 23.415 -20.792 237 HB2 ALA 32 HB2 ALA 32 2.446 22.602 -22.194 238 HB3 ALA 32 HB3 ALA 32 2.575 24.363 -22.169 239 H SER 33 H SER 33 4.155 25.774 -23.095 240 HA SER 33 HA SER 33 5.215 27.753 -22.875 241 HB2 SER 33 HB2 SER 33 7.132 26.528 -20.841 242 HB3 SER 33 HB3 SER 33 6.770 28.234 -21.072 243 HG SER 33 HG SER 33 4.484 27.360 -20.539 244 H CYS 34 H CYS 34 6.366 25.049 -24.233 245 HA CYS 34 HA CYS 34 8.829 26.208 -25.339 246 HB2 CYS 34 HB2 CYS 34 7.647 23.415 -25.681 247 HB3 CYS 34 HB3 CYS 34 9.253 23.943 -26.197 248 HG CYS 34 HG CYS 34 8.670 22.379 -23.638 249 HA PRO 35 HA PRO 35 6.525 27.412 -29.015 250 HB2 PRO 35 HB2 PRO 35 9.043 27.246 -30.590 251 HB3 PRO 35 HB3 PRO 35 8.083 28.669 -30.167 252 HG2 PRO 35 HG2 PRO 35 10.517 28.194 -29.059 253 HG3 PRO 35 HG3 PRO 35 9.216 29.014 -28.171 254 HD2 PRO 35 HD2 PRO 35 10.107 26.134 -27.995 255 HD3 PRO 35 HD3 PRO 35 9.678 27.264 -26.688 256 H THR 36 H THR 36 8.484 24.564 -28.875 257 HA THR 36 HA THR 36 7.713 23.470 -31.454 258 HB THR 36 HB THR 36 9.178 21.566 -30.779 259 HG1 THR 36 HG1 THR 36 10.030 21.466 -28.760 260 HG21 THR 36 HG21 THR 36 10.243 23.536 -31.850 261 HG22 THR 36 HG22 THR 36 11.322 22.814 -30.658 262 HG23 THR 36 HG23 THR 36 10.447 24.294 -30.266 263 H PHE 37 H PHE 37 6.289 23.544 -28.382 264 HA PHE 37 HA PHE 37 5.247 20.816 -28.368 265 HB2 PHE 37 HB2 PHE 37 5.950 22.008 -26.246 266 HB3 PHE 37 HB3 PHE 37 4.601 23.117 -26.474 267 HD1 PHE 37 HD1 PHE 37 5.384 19.469 -26.113 268 HD2 PHE 37 HD2 PHE 37 2.479 22.557 -25.498 269 HE1 PHE 37 HE1 PHE 37 3.961 17.891 -24.877 270 HE2 PHE 37 HE2 PHE 37 1.063 20.961 -24.262 271 HZ PHE 37 HZ PHE 37 1.807 18.636 -23.950 272 H LEU 38 H LEU 38 3.126 20.246 -28.726 273 HA LEU 38 HA LEU 38 1.195 22.308 -29.642 274 HB2 LEU 38 HB2 LEU 38 1.991 20.825 -31.497 275 HB3 LEU 38 HB3 LEU 38 1.457 19.419 -30.590 276 HG LEU 38 HG LEU 38 -0.911 20.232 -30.764 277 HD11 LEU 38 HD11 LEU 38 -1.488 22.047 -32.321 278 HD12 LEU 38 HD12 LEU 38 0.227 22.400 -32.559 279 HD13 LEU 38 HD13 LEU 38 -0.514 22.630 -30.975 280 HD21 LEU 38 HD21 LEU 38 -0.064 18.605 -32.391 281 HD22 LEU 38 HD22 LEU 38 0.499 19.910 -33.439 282 HD23 LEU 38 HD23 LEU 38 -1.228 19.692 -33.144 283 H ARG 39 H ARG 39 -0.865 22.173 -28.754 284 HA ARG 39 HA ARG 39 -1.048 20.936 -26.191 285 HB2 ARG 39 HB2 ARG 39 -3.103 22.481 -27.819 286 HB3 ARG 39 HB3 ARG 39 -3.427 21.861 -26.201 287 HG2 ARG 39 HG2 ARG 39 -1.244 23.855 -26.905 288 HG3 ARG 39 HG3 ARG 39 -2.807 24.260 -26.191 289 HD2 ARG 39 HD2 ARG 39 -2.245 22.936 -24.187 290 HD3 ARG 39 HD3 ARG 39 -0.693 22.486 -24.904 291 HE ARG 39 HE ARG 39 -0.663 25.221 -24.915 292 HH11 ARG 39 HH11 ARG 39 -1.136 22.816 -22.393 293 HH12 ARG 39 HH12 ARG 39 -0.414 23.796 -21.162 294 HH21 ARG 39 HH21 ARG 39 0.306 26.482 -23.263 295 HH22 ARG 39 HH22 ARG 39 0.371 25.866 -21.642 296 H MET 40 H MET 40 -2.653 19.559 -25.450 297 HA MET 40 HA MET 40 -3.589 17.454 -27.271 298 HB2 MET 40 HB2 MET 40 -2.438 15.737 -25.914 299 HB3 MET 40 HB3 MET 40 -1.263 16.864 -26.578 300 HG2 MET 40 HG2 MET 40 -2.307 16.855 -23.737 301 HG3 MET 40 HG3 MET 40 -0.718 16.300 -24.257 302 HE1 MET 40 HE1 MET 40 -1.638 18.576 -21.986 303 HE2 MET 40 HE2 MET 40 -0.319 19.726 -22.183 304 HE3 MET 40 HE3 MET 40 0.032 18.002 -22.143 305 H ASP 41 H ASP 41 -4.655 15.713 -25.799 306 HA ASP 41 HA ASP 41 -6.639 16.946 -24.076 307 HB2 ASP 41 HB2 ASP 41 -7.257 15.137 -25.669 308 HB3 ASP 41 HB3 ASP 41 -6.160 14.028 -24.852 309 H ASN 42 H ASN 42 -6.996 16.235 -21.845 310 HA ASN 42 HA ASN 42 -4.707 16.313 -20.212 311 HB2 ASN 42 HB2 ASN 42 -6.191 16.021 -18.310 312 HB3 ASN 42 HB3 ASN 42 -6.984 17.060 -19.483 313 HD21 ASN 42 HD21 ASN 42 -7.989 15.021 -21.243 314 HD22 ASN 42 HD22 ASN 42 -9.178 14.126 -20.386 315 H ASN 43 H ASN 43 -6.612 13.533 -21.319 316 HA ASN 43 HA ASN 43 -5.243 11.567 -19.732 317 HB2 ASN 43 HB2 ASN 43 -7.075 11.317 -22.151 318 HB3 ASN 43 HB3 ASN 43 -6.360 9.915 -21.352 319 HD21 ASN 43 HD21 ASN 43 -7.013 9.395 -19.241 320 HD22 ASN 43 HD22 ASN 43 -8.501 9.986 -18.582 321 H ALA 44 H ALA 44 -4.788 12.945 -22.947 322 HA ALA 44 HA ALA 44 -2.722 11.189 -23.838 323 HB1 ALA 44 HB1 ALA 44 -2.206 12.931 -25.500 324 HB2 ALA 44 HB2 ALA 44 -3.238 14.075 -24.639 325 HB3 ALA 44 HB3 ALA 44 -3.946 12.650 -25.400 326 H ALA 45 H ALA 45 -2.760 14.158 -21.932 327 HA ALA 45 HA ALA 45 0.060 14.479 -21.614 328 HB1 ALA 45 HB1 ALA 45 -0.538 16.077 -19.848 329 HB2 ALA 45 HB2 ALA 45 -2.211 15.507 -19.876 330 HB3 ALA 45 HB3 ALA 45 -1.538 16.328 -21.283 331 H ALA 46 H ALA 46 -2.430 12.644 -19.905 332 HA ALA 46 HA ALA 46 -0.922 11.957 -17.593 333 HB1 ALA 46 HB1 ALA 46 -2.670 10.273 -17.180 334 HB2 ALA 46 HB2 ALA 46 -3.305 10.526 -18.809 335 HB3 ALA 46 HB3 ALA 46 -3.375 11.832 -17.625 336 H ILE 47 H ILE 47 -1.559 10.248 -20.660 337 HA ILE 47 HA ILE 47 -0.080 7.894 -20.116 338 HB ILE 47 HB ILE 47 -0.809 9.161 -22.802 339 HG12 ILE 47 HG12 ILE 47 -2.790 8.519 -21.478 340 HG13 ILE 47 HG13 ILE 47 -2.628 7.454 -22.867 341 HG21 ILE 47 HG21 ILE 47 0.281 6.364 -22.287 342 HG22 ILE 47 HG22 ILE 47 1.091 7.665 -23.157 343 HG23 ILE 47 HG23 ILE 47 -0.363 6.932 -23.832 344 HD11 ILE 47 HD11 ILE 47 -1.912 6.804 -20.012 345 HD12 ILE 47 HD12 ILE 47 -1.655 5.731 -21.388 346 HD13 ILE 47 HD13 ILE 47 -3.292 6.197 -20.927 347 H LYS 48 H LYS 48 0.747 10.917 -21.850 348 HA LYS 48 HA LYS 48 3.387 10.132 -22.510 349 HB2 LYS 48 HB2 LYS 48 2.073 11.951 -23.690 350 HB3 LYS 48 HB3 LYS 48 2.386 12.997 -22.311 351 HG2 LYS 48 HG2 LYS 48 3.951 13.458 -24.156 352 HG3 LYS 48 HG3 LYS 48 4.799 12.889 -22.715 353 HD2 LYS 48 HD2 LYS 48 4.934 10.607 -23.712 354 HD3 LYS 48 HD3 LYS 48 4.111 11.199 -25.155 355 HE2 LYS 48 HE2 LYS 48 6.801 12.183 -24.154 356 HE3 LYS 48 HE3 LYS 48 6.566 11.014 -25.453 357 HZ1 LYS 48 HZ1 LYS 48 5.370 12.715 -26.699 358 HZ2 LYS 48 HZ2 LYS 48 6.947 13.194 -26.347 359 HZ3 LYS 48 HZ3 LYS 48 5.654 13.842 -25.471 360 H ALA 49 H ALA 49 2.019 11.734 -19.655 361 HA ALA 49 HA ALA 49 4.415 12.591 -18.414 362 HB1 ALA 49 HB1 ALA 49 2.200 13.327 -17.627 363 HB2 ALA 49 HB2 ALA 49 3.141 12.627 -16.311 364 HB3 ALA 49 HB3 ALA 49 1.844 11.691 -17.064 365 H LEU 50 H LEU 50 2.694 9.486 -18.349 366 HA LEU 50 HA LEU 50 4.497 8.130 -16.595 367 HB2 LEU 50 HB2 LEU 50 2.266 7.292 -18.425 368 HB3 LEU 50 HB3 LEU 50 3.411 6.047 -17.972 369 HG LEU 50 HG LEU 50 1.448 5.986 -16.514 370 HD11 LEU 50 HD11 LEU 50 3.911 6.920 -15.011 371 HD12 LEU 50 HD12 LEU 50 3.599 5.280 -15.584 372 HD13 LEU 50 HD13 LEU 50 2.568 5.986 -14.344 373 HD21 LEU 50 HD21 LEU 50 2.181 8.810 -15.677 374 HD22 LEU 50 HD22 LEU 50 0.929 7.803 -14.943 375 HD23 LEU 50 HD23 LEU 50 0.764 8.331 -16.616 376 H GLU 51 H GLU 51 4.364 8.509 -20.131 377 HA GLU 51 HA GLU 51 6.498 6.785 -20.815 378 HB2 GLU 51 HB2 GLU 51 5.613 9.333 -22.239 379 HB3 GLU 51 HB3 GLU 51 6.648 8.088 -22.931 380 HG2 GLU 51 HG2 GLU 51 3.757 7.715 -22.100 381 HG3 GLU 51 HG3 GLU 51 4.309 7.961 -23.748 382 H LEU 52 H LEU 52 6.392 10.160 -19.800 383 HA LEU 52 HA LEU 52 9.174 10.721 -20.223 384 HB2 LEU 52 HB2 LEU 52 7.113 12.222 -18.554 385 HB3 LEU 52 HB3 LEU 52 8.715 12.817 -18.974 386 HG LEU 52 HG LEU 52 6.349 12.407 -20.820 387 HD11 LEU 52 HD11 LEU 52 7.925 14.893 -20.148 388 HD12 LEU 52 HD12 LEU 52 6.311 14.487 -19.561 389 HD13 LEU 52 HD13 LEU 52 6.570 14.792 -21.277 390 HD21 LEU 52 HD21 LEU 52 9.182 13.048 -21.654 391 HD22 LEU 52 HD22 LEU 52 7.761 13.091 -22.699 392 HD23 LEU 52 HD23 LEU 52 8.295 11.563 -22.006 393 H TYR 53 H TYR 53 7.193 9.636 -17.535 394 HA TYR 53 HA TYR 53 9.135 10.017 -15.488 395 HB2 TYR 53 HB2 TYR 53 6.714 9.881 -14.974 396 HB3 TYR 53 HB3 TYR 53 6.680 8.206 -15.519 397 HD1 TYR 53 HD1 TYR 53 8.559 10.382 -13.093 398 HD2 TYR 53 HD2 TYR 53 6.860 6.527 -13.834 399 HE1 TYR 53 HE1 TYR 53 9.239 9.649 -10.861 400 HE2 TYR 53 HE2 TYR 53 7.540 5.806 -11.582 401 HH TYR 53 HH TYR 53 9.264 6.421 -9.906 402 H LYS 54 H LYS 54 8.280 7.268 -17.576 403 HA LYS 54 HA LYS 54 9.914 5.370 -16.164 404 HB2 LYS 54 HB2 LYS 54 9.311 3.771 -17.864 405 HB3 LYS 54 HB3 LYS 54 7.877 4.728 -17.513 406 HG2 LYS 54 HG2 LYS 54 8.306 6.074 -19.555 407 HG3 LYS 54 HG3 LYS 54 9.701 5.057 -19.914 408 HD2 LYS 54 HD2 LYS 54 8.148 3.079 -20.060 409 HD3 LYS 54 HD3 LYS 54 6.785 4.185 -19.837 410 HE2 LYS 54 HE2 LYS 54 7.516 5.422 -21.895 411 HE3 LYS 54 HE3 LYS 54 8.775 4.210 -22.138 412 HZ1 LYS 54 HZ1 LYS 54 7.045 2.529 -22.342 413 HZ2 LYS 54 HZ2 LYS 54 6.824 3.760 -23.479 414 HZ3 LYS 54 HZ3 LYS 54 5.850 3.702 -22.104 415 H ILE 55 H ILE 55 10.379 7.459 -19.015 416 HA ILE 55 HA ILE 55 12.985 6.296 -19.657 417 HB ILE 55 HB ILE 55 13.106 7.870 -21.518 418 HG12 ILE 55 HG12 ILE 55 10.566 9.150 -20.414 419 HG13 ILE 55 HG13 ILE 55 12.154 9.897 -20.491 420 HG21 ILE 55 HG21 ILE 55 11.795 5.810 -21.855 421 HG22 ILE 55 HG22 ILE 55 11.153 7.129 -22.832 422 HG23 ILE 55 HG23 ILE 55 10.324 6.650 -21.349 423 HD11 ILE 55 HD11 ILE 55 10.734 10.772 -22.221 424 HD12 ILE 55 HD12 ILE 55 10.413 9.154 -22.840 425 HD13 ILE 55 HD13 ILE 55 12.039 9.837 -22.952 426 H ASN 56 H ASN 56 11.846 8.611 -17.496 427 HA ASN 56 HA ASN 56 12.675 10.300 -16.258 428 HB2 ASN 56 HB2 ASN 56 15.433 9.158 -16.896 429 HB3 ASN 56 HB3 ASN 56 15.018 10.203 -15.542 430 HD21 ASN 56 HD21 ASN 56 12.517 8.746 -14.907 431 HD22 ASN 56 HD22 ASN 56 13.012 7.260 -14.192 432 H ALA 57 H ALA 57 11.830 11.479 -18.162 433 HA ALA 57 HA ALA 57 13.524 12.466 -20.230 434 HB1 ALA 57 HB1 ALA 57 10.752 13.391 -19.413 435 HB2 ALA 57 HB2 ALA 57 11.111 12.096 -20.553 436 HB3 ALA 57 HB3 ALA 57 11.568 13.753 -20.943 437 H LYS 58 H LYS 58 13.333 14.945 -20.730 438 HA LYS 58 HA LYS 58 14.904 16.391 -18.880 439 HB2 LYS 58 HB2 LYS 58 13.212 17.548 -21.135 440 HB3 LYS 58 HB3 LYS 58 14.607 18.308 -20.373 441 HG2 LYS 58 HG2 LYS 58 16.032 16.442 -21.278 442 HG3 LYS 58 HG3 LYS 58 14.614 15.833 -22.131 443 HD2 LYS 58 HD2 LYS 58 15.908 17.118 -23.707 444 HD3 LYS 58 HD3 LYS 58 14.457 18.052 -23.331 445 HE2 LYS 58 HE2 LYS 58 16.465 19.490 -23.400 446 HE3 LYS 58 HE3 LYS 58 15.754 19.468 -21.785 447 HZ1 LYS 58 HZ1 LYS 58 18.216 19.259 -21.832 448 HZ2 LYS 58 HZ2 LYS 58 18.049 17.756 -22.586 449 HZ3 LYS 58 HZ3 LYS 58 17.444 17.992 -21.026 450 H LEU 59 H LEU 59 13.988 16.593 -16.862 451 HA LEU 59 HA LEU 59 11.171 17.272 -16.565 452 HB2 LEU 59 HB2 LEU 59 12.096 15.453 -15.218 453 HB3 LEU 59 HB3 LEU 59 13.301 16.529 -14.527 454 HG LEU 59 HG LEU 59 11.560 17.766 -13.305 455 HD11 LEU 59 HD11 LEU 59 9.209 17.065 -13.272 456 HD12 LEU 59 HD12 LEU 59 9.529 15.889 -14.551 457 HD13 LEU 59 HD13 LEU 59 9.699 17.617 -14.869 458 HD21 LEU 59 HD21 LEU 59 11.291 14.763 -12.898 459 HD22 LEU 59 HD22 LEU 59 10.855 16.013 -11.728 460 HD23 LEU 59 HD23 LEU 59 12.536 15.810 -12.205 461 H CYS 60 H CYS 60 10.605 19.318 -16.600 462 HA CYS 60 HA CYS 60 12.276 21.493 -15.630 463 HB2 CYS 60 HB2 CYS 60 9.449 21.415 -16.722 464 HB3 CYS 60 HB3 CYS 60 10.257 22.892 -16.201 465 H ASP 61 H ASP 61 12.449 20.505 -13.511 466 HA ASP 61 HA ASP 61 10.104 20.634 -11.752 467 HB2 ASP 61 HB2 ASP 61 11.515 19.481 -10.104 468 HB3 ASP 61 HB3 ASP 61 11.534 18.615 -11.634 469 HA PRO 62 HA PRO 62 11.255 24.669 -10.060 470 HB2 PRO 62 HB2 PRO 62 10.211 23.602 -7.446 471 HB3 PRO 62 HB3 PRO 62 9.728 25.050 -8.342 472 HG2 PRO 62 HG2 PRO 62 8.147 22.882 -8.297 473 HG3 PRO 62 HG3 PRO 62 8.320 23.846 -9.781 474 HD2 PRO 62 HD2 PRO 62 9.622 21.225 -9.058 475 HD3 PRO 62 HD3 PRO 62 8.911 21.736 -10.605 476 H HIS 63 H HIS 63 13.394 25.008 -9.746 477 HA HIS 63 HA HIS 63 15.024 23.271 -8.046 478 HB2 HIS 63 HB2 HIS 63 15.826 25.535 -9.916 479 HB3 HIS 63 HB3 HIS 63 16.953 24.491 -9.055 480 HD1 HIS 63 HD1 HIS 63 15.537 24.833 -12.284 481 HD2 HIS 63 HD2 HIS 63 16.296 21.579 -9.821 482 HE1 HIS 63 HE1 HIS 63 15.570 22.839 -13.798 483 HE2 HIS 63 HE2 HIS 63 15.778 20.873 -12.246 484 HA PRO 64 HA PRO 64 14.563 26.624 -4.947 485 HB2 PRO 64 HB2 PRO 64 14.746 25.086 -2.712 486 HB3 PRO 64 HB3 PRO 64 13.292 25.140 -3.715 487 HG2 PRO 64 HG2 PRO 64 15.354 22.995 -3.483 488 HG3 PRO 64 HG3 PRO 64 13.629 22.862 -3.884 489 HD2 PRO 64 HD2 PRO 64 15.847 22.876 -5.711 490 HD3 PRO 64 HD3 PRO 64 14.121 22.884 -6.121 Start of MODEL 19 1 H MET 1 H MET 1 4.107 0.536 -8.388 2 HA MET 1 HA MET 1 6.548 1.570 -7.063 3 HB2 MET 1 HB2 MET 1 5.387 2.240 -9.807 4 HB3 MET 1 HB3 MET 1 6.793 3.010 -9.081 5 HG2 MET 1 HG2 MET 1 7.996 0.848 -9.133 6 HG3 MET 1 HG3 MET 1 6.584 0.096 -9.879 7 HE1 MET 1 HE1 MET 1 9.654 2.499 -10.384 8 HE2 MET 1 HE2 MET 1 8.319 3.642 -10.545 9 HE3 MET 1 HE3 MET 1 9.296 3.225 -11.952 10 H LYS 2 H LYS 2 3.480 1.522 -6.446 11 HA LYS 2 HA LYS 2 2.507 4.193 -6.590 12 HB2 LYS 2 HB2 LYS 2 1.746 1.896 -4.734 13 HB3 LYS 2 HB3 LYS 2 0.874 3.425 -4.813 14 HG2 LYS 2 HG2 LYS 2 0.294 2.978 -7.176 15 HG3 LYS 2 HG3 LYS 2 1.180 1.451 -7.098 16 HD2 LYS 2 HD2 LYS 2 -1.222 1.032 -6.833 17 HD3 LYS 2 HD3 LYS 2 -0.373 0.634 -5.339 18 HE2 LYS 2 HE2 LYS 2 -2.475 1.813 -4.855 19 HE3 LYS 2 HE3 LYS 2 -1.101 2.802 -4.359 20 HZ1 LYS 2 HZ1 LYS 2 -2.589 3.122 -6.914 21 HZ2 LYS 2 HZ2 LYS 2 -1.348 4.121 -6.340 22 HZ3 LYS 2 HZ3 LYS 2 -2.828 4.063 -5.530 23 H ARG 3 H ARG 3 3.616 5.820 -5.703 24 HA ARG 3 HA ARG 3 4.260 5.890 -2.860 25 HB2 ARG 3 HB2 ARG 3 6.283 4.839 -3.933 26 HB3 ARG 3 HB3 ARG 3 6.437 6.234 -4.992 27 HG2 ARG 3 HG2 ARG 3 6.917 7.673 -3.048 28 HG3 ARG 3 HG3 ARG 3 6.692 6.298 -1.967 29 HD2 ARG 3 HD2 ARG 3 8.848 6.523 -4.092 30 HD3 ARG 3 HD3 ARG 3 9.094 6.786 -2.362 31 HE ARG 3 HE ARG 3 8.646 4.231 -3.727 32 HH11 ARG 3 HH11 ARG 3 9.075 5.872 -0.650 33 HH12 ARG 3 HH12 ARG 3 9.441 4.411 0.207 34 HH21 ARG 3 HH21 ARG 3 9.128 2.345 -2.590 35 HH22 ARG 3 HH22 ARG 3 9.470 2.415 -0.892 36 H ALA 4 H ALA 4 4.759 8.120 -2.167 37 HA ALA 4 HA ALA 4 3.270 10.141 -3.545 38 HB1 ALA 4 HB1 ALA 4 5.160 10.424 -1.184 39 HB2 ALA 4 HB2 ALA 4 3.427 10.107 -1.093 40 HB3 ALA 4 HB3 ALA 4 4.009 11.642 -1.740 41 H ALA 5 H ALA 5 6.698 9.336 -3.278 42 HA ALA 5 HA ALA 5 7.830 11.539 -4.646 43 HB1 ALA 5 HB1 ALA 5 9.172 9.922 -3.355 44 HB2 ALA 5 HB2 ALA 5 9.772 10.058 -5.007 45 HB3 ALA 5 HB3 ALA 5 8.804 8.658 -4.530 46 H ALA 6 H ALA 6 6.596 8.399 -5.781 47 HA ALA 6 HA ALA 6 7.042 8.704 -8.555 48 HB1 ALA 6 HB1 ALA 6 6.519 6.527 -7.536 49 HB2 ALA 6 HB2 ALA 6 5.387 6.898 -8.836 50 HB3 ALA 6 HB3 ALA 6 4.887 7.079 -7.150 51 H LYS 7 H LYS 7 4.216 9.411 -6.518 52 HA LYS 7 HA LYS 7 2.440 10.396 -8.459 53 HB2 LYS 7 HB2 LYS 7 1.504 9.845 -6.342 54 HB3 LYS 7 HB3 LYS 7 2.698 10.789 -5.460 55 HG2 LYS 7 HG2 LYS 7 1.647 12.876 -6.151 56 HG3 LYS 7 HG3 LYS 7 0.528 12.013 -7.202 57 HD2 LYS 7 HD2 LYS 7 0.613 11.636 -4.184 58 HD3 LYS 7 HD3 LYS 7 -0.444 12.797 -4.986 59 HE2 LYS 7 HE2 LYS 7 -0.477 9.794 -5.446 60 HE3 LYS 7 HE3 LYS 7 -1.626 10.687 -4.451 61 HZ1 LYS 7 HZ1 LYS 7 -2.341 11.893 -6.413 62 HZ2 LYS 7 HZ2 LYS 7 -2.503 10.225 -6.657 63 HZ3 LYS 7 HZ3 LYS 7 -1.219 11.063 -7.370 64 H HIS 8 H HIS 8 5.012 11.979 -6.618 65 HA HIS 8 HA HIS 8 4.321 14.655 -7.380 66 HB2 HIS 8 HB2 HIS 8 5.587 14.068 -5.279 67 HB3 HIS 8 HB3 HIS 8 6.987 13.681 -6.274 68 HD1 HIS 8 HD1 HIS 8 8.513 15.619 -6.838 69 HD2 HIS 8 HD2 HIS 8 4.797 16.896 -5.489 70 HE1 HIS 8 HE1 HIS 8 8.683 18.110 -6.635 71 HE2 HIS 8 HE2 HIS 8 6.367 18.864 -6.032 72 H LEU 9 H LEU 9 6.530 12.191 -8.612 73 HA LEU 9 HA LEU 9 7.814 13.822 -10.577 74 HB2 LEU 9 HB2 LEU 9 7.792 10.948 -9.846 75 HB3 LEU 9 HB3 LEU 9 8.012 11.214 -11.560 76 HG LEU 9 HG LEU 9 10.162 10.952 -10.338 77 HD11 LEU 9 HD11 LEU 9 10.105 12.189 -12.449 78 HD12 LEU 9 HD12 LEU 9 11.317 12.855 -11.358 79 HD13 LEU 9 HD13 LEU 9 9.778 13.693 -11.581 80 HD21 LEU 9 HD21 LEU 9 9.498 11.996 -8.200 81 HD22 LEU 9 HD22 LEU 9 9.457 13.579 -8.987 82 HD23 LEU 9 HD23 LEU 9 10.980 12.698 -8.847 83 H ILE 10 H ILE 10 5.015 11.638 -10.650 84 HA ILE 10 HA ILE 10 4.327 11.969 -13.384 85 HB ILE 10 HB ILE 10 2.621 11.213 -10.968 86 HG12 ILE 10 HG12 ILE 10 3.774 9.431 -13.179 87 HG13 ILE 10 HG13 ILE 10 4.499 9.634 -11.589 88 HG21 ILE 10 HG21 ILE 10 1.842 11.023 -13.910 89 HG22 ILE 10 HG22 ILE 10 1.122 12.096 -12.708 90 HG23 ILE 10 HG23 ILE 10 0.916 10.352 -12.564 91 HD11 ILE 10 HD11 ILE 10 1.795 8.425 -12.157 92 HD12 ILE 10 HD12 ILE 10 2.519 8.628 -10.558 93 HD13 ILE 10 HD13 ILE 10 3.273 7.559 -11.740 94 H GLU 11 H GLU 11 3.531 13.764 -10.440 95 HA GLU 11 HA GLU 11 1.692 15.639 -11.472 96 HB2 GLU 11 HB2 GLU 11 1.949 15.349 -9.066 97 HB3 GLU 11 HB3 GLU 11 3.654 15.769 -9.145 98 HG2 GLU 11 HG2 GLU 11 2.364 17.582 -8.153 99 HG3 GLU 11 HG3 GLU 11 3.081 18.097 -9.675 100 H ARG 12 H ARG 12 5.230 15.673 -11.219 101 HA ARG 12 HA ARG 12 5.674 18.296 -12.179 102 HB2 ARG 12 HB2 ARG 12 7.472 15.860 -11.973 103 HB3 ARG 12 HB3 ARG 12 8.052 17.385 -12.606 104 HG2 ARG 12 HG2 ARG 12 6.882 17.119 -9.830 105 HG3 ARG 12 HG3 ARG 12 8.598 16.913 -10.180 106 HD2 ARG 12 HD2 ARG 12 8.273 19.160 -9.394 107 HD3 ARG 12 HD3 ARG 12 8.625 19.244 -11.119 108 HE ARG 12 HE ARG 12 5.827 19.356 -10.165 109 HH11 ARG 12 HH11 ARG 12 8.472 20.922 -11.861 110 HH12 ARG 12 HH12 ARG 12 7.513 22.269 -12.369 111 HH21 ARG 12 HH21 ARG 12 4.572 21.132 -10.863 112 HH22 ARG 12 HH22 ARG 12 5.317 22.398 -11.786 113 H TYR 13 H TYR 13 5.722 15.122 -13.838 114 HA TYR 13 HA TYR 13 6.397 16.170 -16.417 115 HB2 TYR 13 HB2 TYR 13 5.402 13.464 -15.478 116 HB3 TYR 13 HB3 TYR 13 5.586 13.805 -17.194 117 HD1 TYR 13 HD1 TYR 13 8.033 14.866 -17.802 118 HD2 TYR 13 HD2 TYR 13 7.212 12.337 -14.447 119 HE1 TYR 13 HE1 TYR 13 10.388 14.184 -17.732 120 HE2 TYR 13 HE2 TYR 13 9.563 11.660 -14.389 121 HH TYR 13 HH TYR 13 11.486 11.564 -15.875 122 H TYR 14 H TYR 14 3.312 15.400 -14.824 123 HA TYR 14 HA TYR 14 1.653 15.573 -17.156 124 HB2 TYR 14 HB2 TYR 14 0.945 14.341 -15.104 125 HB3 TYR 14 HB3 TYR 14 0.879 15.859 -14.217 126 HD1 TYR 14 HD1 TYR 14 -0.623 14.096 -17.163 127 HD2 TYR 14 HD2 TYR 14 -1.181 17.115 -14.183 128 HE1 TYR 14 HE1 TYR 14 -2.960 14.350 -17.852 129 HE2 TYR 14 HE2 TYR 14 -3.518 17.366 -14.879 130 HH TYR 14 HH TYR 14 -5.060 15.123 -16.958 131 H HIS 15 H HIS 15 2.216 17.761 -14.413 132 HA HIS 15 HA HIS 15 0.854 20.035 -15.331 133 HB2 HIS 15 HB2 HIS 15 1.665 19.747 -12.997 134 HB3 HIS 15 HB3 HIS 15 3.332 19.878 -13.541 135 HD1 HIS 15 HD1 HIS 15 0.335 21.911 -12.672 136 HD2 HIS 15 HD2 HIS 15 4.155 22.542 -14.177 137 HE1 HIS 15 HE1 HIS 15 0.752 24.377 -12.465 138 HE2 HIS 15 HE2 HIS 15 3.133 24.696 -13.200 139 H GLN 16 H GLN 16 4.066 18.790 -16.057 140 HA GLN 16 HA GLN 16 5.180 21.025 -17.378 141 HB2 GLN 16 HB2 GLN 16 6.508 19.098 -16.624 142 HB3 GLN 16 HB3 GLN 16 5.660 18.046 -17.751 143 HG2 GLN 16 HG2 GLN 16 6.657 19.260 -19.640 144 HG3 GLN 16 HG3 GLN 16 7.507 20.318 -18.516 145 HE21 GLN 16 HE21 GLN 16 7.367 17.053 -19.816 146 HE22 GLN 16 HE22 GLN 16 8.923 16.563 -19.246 147 H LEU 17 H LEU 17 3.145 18.354 -18.552 148 HA LEU 17 HA LEU 17 3.331 19.136 -21.351 149 HB2 LEU 17 HB2 LEU 17 1.586 17.080 -19.954 150 HB3 LEU 17 HB3 LEU 17 1.777 17.233 -21.697 151 HG LEU 17 HG LEU 17 4.080 16.618 -19.819 152 HD11 LEU 17 HD11 LEU 17 2.502 14.792 -19.666 153 HD12 LEU 17 HD12 LEU 17 3.940 14.289 -20.551 154 HD13 LEU 17 HD13 LEU 17 2.451 14.655 -21.426 155 HD21 LEU 17 HD21 LEU 17 3.898 16.407 -22.839 156 HD22 LEU 17 HD22 LEU 17 5.285 15.947 -21.853 157 HD23 LEU 17 HD23 LEU 17 4.792 17.634 -21.935 158 H THR 18 H THR 18 0.957 19.482 -18.759 159 HA THR 18 HA THR 18 -1.153 20.439 -20.508 160 HB THR 18 HB THR 18 -2.417 20.745 -18.316 161 HG1 THR 18 HG1 THR 18 -1.362 19.713 -16.474 162 HG21 THR 18 HG21 THR 18 -2.629 18.633 -19.590 163 HG22 THR 18 HG22 THR 18 -2.700 18.338 -17.852 164 HG23 THR 18 HG23 THR 18 -1.222 17.977 -18.748 165 H GLU 19 H GLU 19 0.726 21.777 -17.794 166 HA GLU 19 HA GLU 19 -0.276 24.495 -18.341 167 HB2 GLU 19 HB2 GLU 19 1.201 23.436 -15.901 168 HB3 GLU 19 HB3 GLU 19 0.412 25.001 -16.042 169 HG2 GLU 19 HG2 GLU 19 -0.968 22.299 -16.027 170 HG3 GLU 19 HG3 GLU 19 -0.915 23.446 -14.688 171 H GLY 20 H GLY 20 2.676 22.606 -18.314 172 HA2 GLY 20 HA2 GLY 20 4.755 23.191 -19.230 173 HA3 GLY 20 HA3 GLY 20 4.308 24.891 -19.183 174 H CYS 21 H CYS 21 5.748 25.882 -17.891 175 HA CYS 21 HA CYS 21 5.952 25.170 -15.076 176 HB2 CYS 21 HB2 CYS 21 8.424 25.018 -15.054 177 HB3 CYS 21 HB3 CYS 21 7.747 23.779 -16.109 178 H GLY 22 H GLY 22 5.183 27.436 -17.054 179 HA2 GLY 22 HA2 GLY 22 4.889 29.707 -16.485 180 HA3 GLY 22 HA3 GLY 22 6.315 29.650 -15.464 181 H ASN 23 H ASN 23 8.310 28.830 -17.019 182 HA ASN 23 HA ASN 23 8.906 31.127 -18.596 183 HB2 ASN 23 HB2 ASN 23 10.658 29.983 -17.323 184 HB3 ASN 23 HB3 ASN 23 10.430 28.511 -18.265 185 HD21 ASN 23 HD21 ASN 23 12.599 28.514 -18.926 186 HD22 ASN 23 HD22 ASN 23 13.221 29.638 -20.081 187 H GLU 24 H GLU 24 8.215 31.480 -20.616 188 HA GLU 24 HA GLU 24 7.159 29.581 -22.427 189 HB2 GLU 24 HB2 GLU 24 6.509 31.940 -22.520 190 HB3 GLU 24 HB3 GLU 24 8.171 32.421 -22.841 191 HG2 GLU 24 HG2 GLU 24 8.064 31.219 -25.030 192 HG3 GLU 24 HG3 GLU 24 6.368 30.852 -24.715 193 H ALA 25 H ALA 25 10.299 31.257 -22.303 194 HA ALA 25 HA ALA 25 11.404 29.859 -24.591 195 HB1 ALA 25 HB1 ALA 25 13.422 31.206 -24.146 196 HB2 ALA 25 HB2 ALA 25 12.722 31.766 -22.623 197 HB3 ALA 25 HB3 ALA 25 11.972 32.212 -24.154 198 H CYS 26 H CYS 26 10.853 27.790 -23.438 199 HA CYS 26 HA CYS 26 12.898 26.881 -21.497 200 HB2 CYS 26 HB2 CYS 26 10.554 26.871 -20.657 201 HB3 CYS 26 HB3 CYS 26 10.079 25.830 -21.986 202 H THR 27 H THR 27 14.287 25.398 -22.239 203 HA THR 27 HA THR 27 14.012 24.352 -24.943 204 HB THR 27 HB THR 27 16.141 25.378 -24.485 205 HG1 THR 27 HG1 THR 27 17.291 23.854 -25.425 206 HG21 THR 27 HG21 THR 27 17.740 24.559 -22.789 207 HG22 THR 27 HG22 THR 27 16.530 23.419 -22.195 208 HG23 THR 27 HG23 THR 27 16.259 25.156 -22.037 209 H ASN 28 H ASN 28 12.175 23.107 -24.125 210 HA ASN 28 HA ASN 28 12.969 20.345 -23.626 211 HB2 ASN 28 HB2 ASN 28 12.433 21.377 -21.358 212 HB3 ASN 28 HB3 ASN 28 10.796 21.686 -21.918 213 HD21 ASN 28 HD21 ASN 28 11.482 20.126 -19.665 214 HD22 ASN 28 HD22 ASN 28 10.965 18.507 -19.945 215 H GLU 29 H GLU 29 12.085 19.329 -25.300 216 HA GLU 29 HA GLU 29 10.088 20.346 -27.026 217 HB2 GLU 29 HB2 GLU 29 10.196 18.122 -28.121 218 HB3 GLU 29 HB3 GLU 29 11.800 18.770 -27.790 219 HG2 GLU 29 HG2 GLU 29 11.928 17.320 -25.755 220 HG3 GLU 29 HG3 GLU 29 10.367 16.626 -26.193 221 H PHE 30 H PHE 30 9.813 18.635 -24.084 222 HA PHE 30 HA PHE 30 6.901 18.244 -24.425 223 HB2 PHE 30 HB2 PHE 30 8.793 16.888 -22.453 224 HB3 PHE 30 HB3 PHE 30 7.057 16.580 -22.606 225 HD1 PHE 30 HD1 PHE 30 6.403 16.082 -25.261 226 HD2 PHE 30 HD2 PHE 30 10.124 15.200 -23.336 227 HE1 PHE 30 HE1 PHE 30 6.861 14.347 -26.937 228 HE2 PHE 30 HE2 PHE 30 10.565 13.456 -25.013 229 HZ PHE 30 HZ PHE 30 8.940 13.032 -26.816 230 H CYS 31 H CYS 31 6.665 20.563 -23.964 231 HA CYS 31 HA CYS 31 6.133 21.045 -21.177 232 HB2 CYS 31 HB2 CYS 31 8.598 21.517 -21.265 233 HB3 CYS 31 HB3 CYS 31 8.304 22.745 -22.487 234 H ALA 32 H ALA 32 4.275 22.280 -21.195 235 HA ALA 32 HA ALA 32 3.232 23.383 -23.619 236 HB1 ALA 32 HB1 ALA 32 1.770 22.425 -21.890 237 HB2 ALA 32 HB2 ALA 32 1.325 24.096 -22.239 238 HB3 ALA 32 HB3 ALA 32 2.226 23.712 -20.772 239 H SER 33 H SER 33 2.656 25.569 -24.009 240 HA SER 33 HA SER 33 3.138 27.714 -24.422 241 HB2 SER 33 HB2 SER 33 2.675 28.194 -22.058 242 HB3 SER 33 HB3 SER 33 4.306 27.730 -21.602 243 HG SER 33 HG SER 33 5.085 29.543 -22.641 244 H CYS 34 H CYS 34 5.300 25.353 -24.598 245 HA CYS 34 HA CYS 34 7.526 27.116 -25.435 246 HB2 CYS 34 HB2 CYS 34 7.586 24.099 -24.982 247 HB3 CYS 34 HB3 CYS 34 8.970 25.159 -25.251 248 HG CYS 34 HG CYS 34 7.030 25.880 -22.586 249 HA PRO 35 HA PRO 35 6.086 26.336 -29.617 250 HB2 PRO 35 HB2 PRO 35 8.305 27.071 -31.041 251 HB3 PRO 35 HB3 PRO 35 7.292 28.249 -30.195 252 HG2 PRO 35 HG2 PRO 35 9.878 26.985 -29.269 253 HG3 PRO 35 HG3 PRO 35 9.404 28.700 -29.243 254 HD2 PRO 35 HD2 PRO 35 9.220 27.140 -27.026 255 HD3 PRO 35 HD3 PRO 35 8.040 28.426 -27.361 256 H THR 36 H THR 36 8.846 24.784 -28.271 257 HA THR 36 HA THR 36 9.416 22.843 -30.273 258 HB THR 36 HB THR 36 10.719 21.755 -28.378 259 HG1 THR 36 HG1 THR 36 9.765 22.257 -26.506 260 HG21 THR 36 HG21 THR 36 12.354 23.587 -28.086 261 HG22 THR 36 HG22 THR 36 11.172 24.750 -28.693 262 HG23 THR 36 HG23 THR 36 11.801 23.495 -29.762 263 H PHE 37 H PHE 37 6.898 23.133 -27.922 264 HA PHE 37 HA PHE 37 6.329 20.232 -27.965 265 HB2 PHE 37 HB2 PHE 37 6.669 21.148 -25.710 266 HB3 PHE 37 HB3 PHE 37 5.388 22.328 -25.986 267 HD1 PHE 37 HD1 PHE 37 5.740 18.582 -26.392 268 HD2 PHE 37 HD2 PHE 37 3.437 21.804 -24.806 269 HE1 PHE 37 HE1 PHE 37 4.130 16.979 -25.471 270 HE2 PHE 37 HE2 PHE 37 1.833 20.203 -23.893 271 HZ PHE 37 HZ PHE 37 2.167 17.788 -24.218 272 H LEU 38 H LEU 38 4.671 19.558 -29.173 273 HA LEU 38 HA LEU 38 2.478 21.343 -29.955 274 HB2 LEU 38 HB2 LEU 38 3.543 19.701 -31.557 275 HB3 LEU 38 HB3 LEU 38 2.935 18.390 -30.558 276 HG LEU 38 HG LEU 38 0.587 19.177 -31.041 277 HD11 LEU 38 HD11 LEU 38 1.904 21.054 -33.031 278 HD12 LEU 38 HD12 LEU 38 1.047 21.526 -31.565 279 HD13 LEU 38 HD13 LEU 38 0.171 20.750 -32.879 280 HD21 LEU 38 HD21 LEU 38 2.218 18.462 -33.509 281 HD22 LEU 38 HD22 LEU 38 0.472 18.285 -33.330 282 HD23 LEU 38 HD23 LEU 38 1.556 17.321 -32.334 283 H ARG 39 H ARG 39 0.901 21.612 -28.446 284 HA ARG 39 HA ARG 39 0.675 20.035 -26.107 285 HB2 ARG 39 HB2 ARG 39 -0.988 22.322 -27.190 286 HB3 ARG 39 HB3 ARG 39 -1.553 21.419 -25.791 287 HG2 ARG 39 HG2 ARG 39 -0.430 23.388 -25.002 288 HG3 ARG 39 HG3 ARG 39 0.574 21.994 -24.607 289 HD2 ARG 39 HD2 ARG 39 2.020 23.734 -25.392 290 HD3 ARG 39 HD3 ARG 39 1.946 22.492 -26.651 291 HE ARG 39 HE ARG 39 -0.031 24.364 -27.238 292 HH11 ARG 39 HH11 ARG 39 3.491 24.320 -27.139 293 HH12 ARG 39 HH12 ARG 39 3.642 25.661 -28.222 294 HH21 ARG 39 HH21 ARG 39 0.200 26.109 -28.635 295 HH22 ARG 39 HH22 ARG 39 1.782 26.667 -29.080 296 H MET 40 H MET 40 -1.439 19.233 -25.295 297 HA MET 40 HA MET 40 -2.861 17.484 -27.161 298 HB2 MET 40 HB2 MET 40 -2.132 15.468 -25.780 299 HB3 MET 40 HB3 MET 40 -0.849 16.190 -26.742 300 HG2 MET 40 HG2 MET 40 -0.006 17.377 -24.728 301 HG3 MET 40 HG3 MET 40 -1.273 16.606 -23.767 302 HE1 MET 40 HE1 MET 40 2.192 14.271 -25.763 303 HE2 MET 40 HE2 MET 40 2.046 16.025 -25.838 304 HE3 MET 40 HE3 MET 40 0.884 15.006 -26.689 305 H ASP 41 H ASP 41 -4.434 16.061 -25.831 306 HA ASP 41 HA ASP 41 -5.903 17.770 -23.996 307 HB2 ASP 41 HB2 ASP 41 -7.662 16.109 -24.087 308 HB3 ASP 41 HB3 ASP 41 -7.071 16.362 -25.719 309 H ASN 42 H ASN 42 -6.899 16.504 -21.965 310 HA ASN 42 HA ASN 42 -4.741 16.349 -20.127 311 HB2 ASN 42 HB2 ASN 42 -6.428 15.990 -18.397 312 HB3 ASN 42 HB3 ASN 42 -6.998 17.213 -19.528 313 HD21 ASN 42 HD21 ASN 42 -8.427 15.320 -17.671 314 HD22 ASN 42 HD22 ASN 42 -9.592 14.529 -18.670 315 H ASN 43 H ASN 43 -6.689 13.838 -21.676 316 HA ASN 43 HA ASN 43 -5.803 11.656 -20.018 317 HB2 ASN 43 HB2 ASN 43 -7.032 11.521 -22.807 318 HB3 ASN 43 HB3 ASN 43 -6.944 10.205 -21.640 319 HD21 ASN 43 HD21 ASN 43 -9.283 11.487 -22.981 320 HD22 ASN 43 HD22 ASN 43 -10.329 11.972 -21.692 321 H ALA 44 H ALA 44 -4.911 13.014 -23.160 322 HA ALA 44 HA ALA 44 -2.944 11.115 -23.908 323 HB1 ALA 44 HB1 ALA 44 -2.219 12.790 -25.555 324 HB2 ALA 44 HB2 ALA 44 -3.190 14.023 -24.746 325 HB3 ALA 44 HB3 ALA 44 -3.979 12.654 -25.528 326 H ALA 45 H ALA 45 -2.816 14.130 -22.065 327 HA ALA 45 HA ALA 45 0.028 14.277 -21.772 328 HB1 ALA 45 HB1 ALA 45 -1.412 16.269 -21.597 329 HB2 ALA 45 HB2 ALA 45 -0.448 16.052 -20.135 330 HB3 ALA 45 HB3 ALA 45 -2.159 15.612 -20.140 331 H ALA 46 H ALA 46 -2.564 12.703 -19.992 332 HA ALA 46 HA ALA 46 -1.134 12.072 -17.609 333 HB1 ALA 46 HB1 ALA 46 -2.962 10.478 -17.171 334 HB2 ALA 46 HB2 ALA 46 -3.540 10.671 -18.829 335 HB3 ALA 46 HB3 ALA 46 -3.591 12.035 -17.712 336 H ILE 47 H ILE 47 -1.898 10.166 -20.514 337 HA ILE 47 HA ILE 47 -0.386 7.857 -19.954 338 HB ILE 47 HB ILE 47 -1.140 9.078 -22.653 339 HG12 ILE 47 HG12 ILE 47 -3.143 8.552 -21.340 340 HG13 ILE 47 HG13 ILE 47 -3.001 7.379 -22.640 341 HG21 ILE 47 HG21 ILE 47 -0.775 6.821 -23.646 342 HG22 ILE 47 HG22 ILE 47 -0.139 6.255 -22.100 343 HG23 ILE 47 HG23 ILE 47 0.713 7.512 -22.993 344 HD11 ILE 47 HD11 ILE 47 -2.072 5.746 -21.026 345 HD12 ILE 47 HD12 ILE 47 -3.701 6.279 -20.612 346 HD13 ILE 47 HD13 ILE 47 -2.313 6.925 -19.736 347 H LYS 48 H LYS 48 0.414 10.840 -21.706 348 HA LYS 48 HA LYS 48 2.979 10.118 -22.629 349 HB2 LYS 48 HB2 LYS 48 1.468 12.071 -23.415 350 HB3 LYS 48 HB3 LYS 48 2.085 12.966 -22.037 351 HG2 LYS 48 HG2 LYS 48 3.447 13.696 -23.792 352 HG3 LYS 48 HG3 LYS 48 4.444 12.450 -23.034 353 HD2 LYS 48 HD2 LYS 48 3.618 10.816 -24.754 354 HD3 LYS 48 HD3 LYS 48 2.725 12.129 -25.523 355 HE2 LYS 48 HE2 LYS 48 4.754 11.816 -26.749 356 HE3 LYS 48 HE3 LYS 48 4.918 13.319 -25.842 357 HZ1 LYS 48 HZ1 LYS 48 6.903 11.943 -25.756 358 HZ2 LYS 48 HZ2 LYS 48 6.024 10.691 -25.037 359 HZ3 LYS 48 HZ3 LYS 48 6.237 12.153 -24.216 360 H ALA 49 H ALA 49 1.846 11.679 -19.644 361 HA ALA 49 HA ALA 49 4.309 12.518 -18.553 362 HB1 ALA 49 HB1 ALA 49 3.135 12.611 -16.391 363 HB2 ALA 49 HB2 ALA 49 1.797 11.673 -17.060 364 HB3 ALA 49 HB3 ALA 49 2.135 13.290 -17.676 365 H LEU 50 H LEU 50 2.502 9.485 -18.221 366 HA LEU 50 HA LEU 50 4.373 8.190 -16.494 367 HB2 LEU 50 HB2 LEU 50 1.954 7.321 -18.058 368 HB3 LEU 50 HB3 LEU 50 3.054 6.066 -17.524 369 HG LEU 50 HG LEU 50 1.196 6.310 -15.947 370 HD11 LEU 50 HD11 LEU 50 3.359 5.591 -15.062 371 HD12 LEU 50 HD12 LEU 50 2.465 6.519 -13.863 372 HD13 LEU 50 HD13 LEU 50 3.808 7.267 -14.732 373 HD21 LEU 50 HD21 LEU 50 0.874 8.336 -14.597 374 HD22 LEU 50 HD22 LEU 50 0.631 8.663 -16.310 375 HD23 LEU 50 HD23 LEU 50 2.127 9.168 -15.522 376 H GLU 51 H GLU 51 4.075 8.408 -20.022 377 HA GLU 51 HA GLU 51 6.061 6.468 -20.656 378 HB2 GLU 51 HB2 GLU 51 5.115 8.887 -22.235 379 HB3 GLU 51 HB3 GLU 51 6.171 7.641 -22.889 380 HG2 GLU 51 HG2 GLU 51 3.290 7.316 -21.998 381 HG3 GLU 51 HG3 GLU 51 3.909 7.243 -23.643 382 H LEU 52 H LEU 52 6.197 9.955 -20.048 383 HA LEU 52 HA LEU 52 9.014 10.260 -20.522 384 HB2 LEU 52 HB2 LEU 52 7.204 12.053 -18.855 385 HB3 LEU 52 HB3 LEU 52 8.786 12.467 -19.494 386 HG LEU 52 HG LEU 52 6.215 12.101 -21.059 387 HD11 LEU 52 HD11 LEU 52 7.978 14.530 -20.700 388 HD12 LEU 52 HD12 LEU 52 6.424 14.246 -19.914 389 HD13 LEU 52 HD13 LEU 52 6.501 14.444 -21.663 390 HD21 LEU 52 HD21 LEU 52 7.458 12.610 -23.112 391 HD22 LEU 52 HD22 LEU 52 8.013 11.103 -22.389 392 HD23 LEU 52 HD23 LEU 52 8.979 12.570 -22.216 393 H TYR 53 H TYR 53 7.071 9.328 -17.801 394 HA TYR 53 HA TYR 53 8.974 9.651 -15.715 395 HB2 TYR 53 HB2 TYR 53 6.558 9.486 -15.270 396 HB3 TYR 53 HB3 TYR 53 6.502 7.869 -15.948 397 HD1 TYR 53 HD1 TYR 53 7.443 9.873 -12.987 398 HD2 TYR 53 HD2 TYR 53 7.332 5.916 -14.620 399 HE1 TYR 53 HE1 TYR 53 7.826 8.927 -10.750 400 HE2 TYR 53 HE2 TYR 53 7.710 4.986 -12.382 401 HH TYR 53 HH TYR 53 8.733 5.731 -10.215 402 H LYS 54 H LYS 54 8.014 6.854 -17.730 403 HA LYS 54 HA LYS 54 9.711 4.983 -16.370 404 HB2 LYS 54 HB2 LYS 54 8.952 3.347 -18.053 405 HB3 LYS 54 HB3 LYS 54 7.605 4.229 -17.352 406 HG2 LYS 54 HG2 LYS 54 7.480 5.644 -19.369 407 HG3 LYS 54 HG3 LYS 54 8.820 4.755 -20.082 408 HD2 LYS 54 HD2 LYS 54 6.233 3.398 -19.255 409 HD3 LYS 54 HD3 LYS 54 6.435 4.131 -20.843 410 HE2 LYS 54 HE2 LYS 54 6.854 1.766 -21.033 411 HE3 LYS 54 HE3 LYS 54 8.385 2.609 -21.243 412 HZ1 LYS 54 HZ1 LYS 54 7.487 1.313 -18.727 413 HZ2 LYS 54 HZ2 LYS 54 8.998 2.022 -19.007 414 HZ3 LYS 54 HZ3 LYS 54 8.552 0.626 -19.847 415 H ILE 55 H ILE 55 10.011 6.819 -19.407 416 HA ILE 55 HA ILE 55 12.521 5.539 -20.170 417 HB ILE 55 HB ILE 55 12.590 7.069 -22.065 418 HG12 ILE 55 HG12 ILE 55 10.242 8.551 -20.788 419 HG13 ILE 55 HG13 ILE 55 11.874 9.176 -20.978 420 HG21 ILE 55 HG21 ILE 55 9.742 6.070 -21.654 421 HG22 ILE 55 HG22 ILE 55 11.092 5.120 -22.277 422 HG23 ILE 55 HG23 ILE 55 10.473 6.481 -23.211 423 HD11 ILE 55 HD11 ILE 55 9.924 8.551 -23.185 424 HD12 ILE 55 HD12 ILE 55 11.581 9.116 -23.420 425 HD13 ILE 55 HD13 ILE 55 10.404 10.145 -22.604 426 H ASN 56 H ASN 56 11.548 8.128 -18.138 427 HA ASN 56 HA ASN 56 12.476 9.893 -17.108 428 HB2 ASN 56 HB2 ASN 56 14.054 8.183 -16.207 429 HB3 ASN 56 HB3 ASN 56 15.126 8.466 -17.572 430 HD21 ASN 56 HD21 ASN 56 16.373 10.369 -17.624 431 HD22 ASN 56 HD22 ASN 56 16.542 11.400 -16.245 432 H ALA 57 H ALA 57 11.691 11.016 -19.002 433 HA ALA 57 HA ALA 57 13.532 11.945 -21.049 434 HB1 ALA 57 HB1 ALA 57 11.155 11.530 -21.575 435 HB2 ALA 57 HB2 ALA 57 11.587 13.213 -21.879 436 HB3 ALA 57 HB3 ALA 57 10.679 12.782 -20.427 437 H LYS 58 H LYS 58 13.013 14.555 -21.430 438 HA LYS 58 HA LYS 58 14.503 15.947 -19.463 439 HB2 LYS 58 HB2 LYS 58 12.769 17.075 -21.691 440 HB3 LYS 58 HB3 LYS 58 13.950 17.984 -20.756 441 HG2 LYS 58 HG2 LYS 58 14.539 15.698 -22.644 442 HG3 LYS 58 HG3 LYS 58 14.866 17.401 -22.936 443 HD2 LYS 58 HD2 LYS 58 16.195 15.646 -20.813 444 HD3 LYS 58 HD3 LYS 58 16.941 16.183 -22.318 445 HE2 LYS 58 HE2 LYS 58 16.046 18.012 -20.058 446 HE3 LYS 58 HE3 LYS 58 17.709 17.516 -20.363 447 HZ1 LYS 58 HZ1 LYS 58 15.990 19.171 -22.112 448 HZ2 LYS 58 HZ2 LYS 58 17.511 18.584 -22.565 449 HZ3 LYS 58 HZ3 LYS 58 17.369 19.660 -21.266 450 H LEU 59 H LEU 59 13.860 16.995 -17.700 451 HA LEU 59 HA LEU 59 10.968 17.221 -17.106 452 HB2 LEU 59 HB2 LEU 59 12.030 15.372 -15.865 453 HB3 LEU 59 HB3 LEU 59 13.239 16.472 -15.215 454 HG LEU 59 HG LEU 59 11.472 17.687 -13.952 455 HD11 LEU 59 HD11 LEU 59 9.535 15.632 -15.075 456 HD12 LEU 59 HD12 LEU 59 9.569 17.357 -15.452 457 HD13 LEU 59 HD13 LEU 59 9.173 16.821 -13.829 458 HD21 LEU 59 HD21 LEU 59 11.439 14.687 -13.432 459 HD22 LEU 59 HD22 LEU 59 10.947 15.937 -12.287 460 HD23 LEU 59 HD23 LEU 59 12.623 15.843 -12.816 461 H CYS 60 H CYS 60 10.250 19.066 -16.228 462 HA CYS 60 HA CYS 60 12.078 21.327 -15.762 463 HB2 CYS 60 HB2 CYS 60 9.038 21.248 -15.950 464 HB3 CYS 60 HB3 CYS 60 10.024 22.702 -15.803 465 H ASP 61 H ASP 61 12.756 19.948 -13.874 466 HA ASP 61 HA ASP 61 11.057 19.986 -11.498 467 HB2 ASP 61 HB2 ASP 61 12.932 18.844 -10.400 468 HB3 ASP 61 HB3 ASP 61 12.661 18.089 -11.964 469 HA PRO 62 HA PRO 62 12.771 23.896 -9.815 470 HB2 PRO 62 HB2 PRO 62 13.183 23.228 -7.145 471 HB3 PRO 62 HB3 PRO 62 11.605 23.660 -7.813 472 HG2 PRO 62 HG2 PRO 62 12.759 20.917 -7.305 473 HG3 PRO 62 HG3 PRO 62 11.123 21.523 -6.959 474 HD2 PRO 62 HD2 PRO 62 11.626 19.989 -9.119 475 HD3 PRO 62 HD3 PRO 62 10.444 21.315 -9.196 476 H HIS 63 H HIS 63 14.785 24.278 -10.611 477 HA HIS 63 HA HIS 63 16.955 22.317 -10.204 478 HB2 HIS 63 HB2 HIS 63 16.164 22.909 -12.538 479 HB3 HIS 63 HB3 HIS 63 16.757 24.546 -12.289 480 HD1 HIS 63 HD1 HIS 63 17.776 21.236 -13.433 481 HD2 HIS 63 HD2 HIS 63 19.687 24.621 -11.976 482 HE1 HIS 63 HE1 HIS 63 20.171 21.029 -14.130 483 HE2 HIS 63 HE2 HIS 63 21.280 23.122 -13.323 484 HA PRO 64 HA PRO 64 18.823 25.544 -7.492 485 HB2 PRO 64 HB2 PRO 64 20.924 23.438 -7.086 486 HB3 PRO 64 HB3 PRO 64 19.924 24.270 -5.887 487 HG2 PRO 64 HG2 PRO 64 19.478 21.689 -6.486 488 HG3 PRO 64 HG3 PRO 64 18.127 22.802 -6.157 489 HD2 PRO 64 HD2 PRO 64 19.207 21.880 -8.837 490 HD3 PRO 64 HD3 PRO 64 17.519 21.953 -8.280 Start of MODEL 20 1 H MET 1 H MET 1 10.712 1.171 -5.237 2 HA MET 1 HA MET 1 11.336 3.189 -4.098 3 HB2 MET 1 HB2 MET 1 9.493 3.629 -6.491 4 HB3 MET 1 HB3 MET 1 10.668 4.802 -5.903 5 HG2 MET 1 HG2 MET 1 11.294 2.069 -7.045 6 HG3 MET 1 HG3 MET 1 11.547 3.625 -7.842 7 HE1 MET 1 HE1 MET 1 13.808 1.299 -7.408 8 HE2 MET 1 HE2 MET 1 15.205 2.282 -6.973 9 HE3 MET 1 HE3 MET 1 14.147 2.793 -8.287 10 H LYS 2 H LYS 2 10.610 5.393 -3.466 11 HA LYS 2 HA LYS 2 8.486 5.371 -1.590 12 HB2 LYS 2 HB2 LYS 2 9.883 7.804 -2.804 13 HB3 LYS 2 HB3 LYS 2 8.934 7.794 -1.323 14 HG2 LYS 2 HG2 LYS 2 11.542 6.306 -1.740 15 HG3 LYS 2 HG3 LYS 2 11.368 7.844 -0.892 16 HD2 LYS 2 HD2 LYS 2 10.017 5.254 -0.053 17 HD3 LYS 2 HD3 LYS 2 11.530 5.850 0.624 18 HE2 LYS 2 HE2 LYS 2 10.351 7.871 1.451 19 HE3 LYS 2 HE3 LYS 2 8.838 7.251 0.790 20 HZ1 LYS 2 HZ1 LYS 2 9.026 5.342 2.257 21 HZ2 LYS 2 HZ2 LYS 2 9.020 6.781 3.146 22 HZ3 LYS 2 HZ3 LYS 2 10.469 5.941 2.899 23 H ARG 3 H ARG 3 6.346 5.773 -1.861 24 HA ARG 3 HA ARG 3 5.291 6.020 -4.527 25 HB2 ARG 3 HB2 ARG 3 3.842 5.939 -1.848 26 HB3 ARG 3 HB3 ARG 3 3.066 5.794 -3.425 27 HG2 ARG 3 HG2 ARG 3 5.077 3.848 -2.235 28 HG3 ARG 3 HG3 ARG 3 3.338 3.588 -2.381 29 HD2 ARG 3 HD2 ARG 3 3.508 3.597 -4.825 30 HD3 ARG 3 HD3 ARG 3 5.229 3.985 -4.731 31 HE ARG 3 HE ARG 3 5.327 1.753 -3.428 32 HH11 ARG 3 HH11 ARG 3 3.318 2.334 -6.252 33 HH12 ARG 3 HH12 ARG 3 3.352 0.673 -6.749 34 HH21 ARG 3 HH21 ARG 3 5.362 -0.395 -4.108 35 HH22 ARG 3 HH22 ARG 3 4.501 -0.862 -5.540 36 H ALA 4 H ALA 4 5.829 8.236 -1.894 37 HA ALA 4 HA ALA 4 4.273 10.425 -2.857 38 HB1 ALA 4 HB1 ALA 4 5.684 11.820 -1.388 39 HB2 ALA 4 HB2 ALA 4 6.787 10.462 -1.138 40 HB3 ALA 4 HB3 ALA 4 5.125 10.373 -0.549 41 H ALA 5 H ALA 5 7.677 9.440 -3.272 42 HA ALA 5 HA ALA 5 8.515 11.528 -4.978 43 HB1 ALA 5 HB1 ALA 5 10.112 10.082 -3.794 44 HB2 ALA 5 HB2 ALA 5 10.428 10.068 -5.529 45 HB3 ALA 5 HB3 ALA 5 9.608 8.700 -4.768 46 H ALA 6 H ALA 6 7.161 8.315 -5.640 47 HA ALA 6 HA ALA 6 7.444 8.283 -8.452 48 HB1 ALA 6 HB1 ALA 6 5.902 6.361 -8.391 49 HB2 ALA 6 HB2 ALA 6 5.489 6.733 -6.715 50 HB3 ALA 6 HB3 ALA 6 7.128 6.230 -7.128 51 H LYS 7 H LYS 7 4.601 8.928 -6.397 52 HA LYS 7 HA LYS 7 2.726 9.535 -8.375 53 HB2 LYS 7 HB2 LYS 7 2.060 9.101 -6.058 54 HB3 LYS 7 HB3 LYS 7 2.912 10.529 -5.500 55 HG2 LYS 7 HG2 LYS 7 0.602 11.064 -5.433 56 HG3 LYS 7 HG3 LYS 7 1.246 11.928 -6.824 57 HD2 LYS 7 HD2 LYS 7 -0.138 9.242 -7.112 58 HD3 LYS 7 HD3 LYS 7 -1.052 10.742 -7.048 59 HE2 LYS 7 HE2 LYS 7 0.169 11.550 -9.051 60 HE3 LYS 7 HE3 LYS 7 1.030 10.015 -9.138 61 HZ1 LYS 7 HZ1 LYS 7 -1.919 10.310 -9.298 62 HZ2 LYS 7 HZ2 LYS 7 -1.037 8.884 -9.517 63 HZ3 LYS 7 HZ3 LYS 7 -0.892 10.147 -10.629 64 H HIS 8 H HIS 8 4.809 11.732 -6.498 65 HA HIS 8 HA HIS 8 3.824 14.102 -7.754 66 HB2 HIS 8 HB2 HIS 8 6.263 13.692 -5.986 67 HB3 HIS 8 HB3 HIS 8 5.708 15.268 -6.557 68 HD1 HIS 8 HD1 HIS 8 5.664 13.608 -3.576 69 HD2 HIS 8 HD2 HIS 8 2.568 15.160 -5.861 70 HE1 HIS 8 HE1 HIS 8 3.756 13.925 -1.992 71 HE2 HIS 8 HE2 HIS 8 1.841 14.673 -3.435 72 H LEU 9 H LEU 9 6.459 11.876 -8.507 73 HA LEU 9 HA LEU 9 7.877 13.504 -10.352 74 HB2 LEU 9 HB2 LEU 9 7.978 10.739 -9.494 75 HB3 LEU 9 HB3 LEU 9 7.991 10.739 -11.239 76 HG LEU 9 HG LEU 9 10.274 10.682 -10.220 77 HD11 LEU 9 HD11 LEU 9 9.993 11.519 -12.494 78 HD12 LEU 9 HD12 LEU 9 11.285 12.380 -11.663 79 HD13 LEU 9 HD13 LEU 9 9.712 13.152 -11.881 80 HD21 LEU 9 HD21 LEU 9 9.797 12.099 -8.238 81 HD22 LEU 9 HD22 LEU 9 9.673 13.518 -9.290 82 HD23 LEU 9 HD23 LEU 9 11.207 12.656 -9.137 83 H ILE 10 H ILE 10 5.326 11.094 -10.835 84 HA ILE 10 HA ILE 10 4.780 11.446 -13.559 85 HB ILE 10 HB ILE 10 2.856 10.704 -11.301 86 HG12 ILE 10 HG12 ILE 10 4.337 8.822 -13.206 87 HG13 ILE 10 HG13 ILE 10 4.905 9.207 -11.587 88 HG21 ILE 10 HG21 ILE 10 1.459 9.630 -13.071 89 HG22 ILE 10 HG22 ILE 10 2.521 10.305 -14.308 90 HG23 ILE 10 HG23 ILE 10 1.571 11.378 -13.279 91 HD11 ILE 10 HD11 ILE 10 2.313 7.818 -12.265 92 HD12 ILE 10 HD12 ILE 10 2.887 8.194 -10.636 93 HD13 ILE 10 HD13 ILE 10 3.783 7.065 -11.652 94 H GLU 11 H GLU 11 3.545 13.121 -10.701 95 HA GLU 11 HA GLU 11 1.588 14.772 -11.892 96 HB2 GLU 11 HB2 GLU 11 1.599 14.354 -9.493 97 HB3 GLU 11 HB3 GLU 11 3.199 15.065 -9.334 98 HG2 GLU 11 HG2 GLU 11 2.206 17.282 -10.022 99 HG3 GLU 11 HG3 GLU 11 0.612 16.528 -9.962 100 H ARG 12 H ARG 12 5.062 15.188 -11.390 101 HA ARG 12 HA ARG 12 5.140 17.963 -12.121 102 HB2 ARG 12 HB2 ARG 12 7.388 15.914 -11.913 103 HB3 ARG 12 HB3 ARG 12 7.629 17.615 -12.249 104 HG2 ARG 12 HG2 ARG 12 6.441 18.078 -10.026 105 HG3 ARG 12 HG3 ARG 12 6.646 16.363 -9.708 106 HD2 ARG 12 HD2 ARG 12 8.854 18.383 -10.174 107 HD3 ARG 12 HD3 ARG 12 8.465 17.570 -8.655 108 HE ARG 12 HE ARG 12 9.016 15.547 -10.463 109 HH11 ARG 12 HH11 ARG 12 10.794 18.244 -9.084 110 HH12 ARG 12 HH12 ARG 12 12.341 17.489 -9.295 111 HH21 ARG 12 HH21 ARG 12 11.086 14.583 -10.725 112 HH22 ARG 12 HH22 ARG 12 12.503 15.432 -10.206 113 H TYR 13 H TYR 13 5.620 14.893 -13.828 114 HA TYR 13 HA TYR 13 6.371 16.018 -16.346 115 HB2 TYR 13 HB2 TYR 13 5.270 13.299 -15.558 116 HB3 TYR 13 HB3 TYR 13 5.548 13.710 -17.247 117 HD1 TYR 13 HD1 TYR 13 8.037 14.851 -17.611 118 HD2 TYR 13 HD2 TYR 13 6.986 12.026 -14.573 119 HE1 TYR 13 HE1 TYR 13 10.378 14.144 -17.456 120 HE2 TYR 13 HE2 TYR 13 9.321 11.326 -14.426 121 HH TYR 13 HH TYR 13 11.299 11.319 -15.840 122 H TYR 14 H TYR 14 3.276 15.131 -14.897 123 HA TYR 14 HA TYR 14 1.618 15.533 -17.165 124 HB2 TYR 14 HB2 TYR 14 0.880 14.183 -15.220 125 HB3 TYR 14 HB3 TYR 14 0.929 15.611 -14.193 126 HD1 TYR 14 HD1 TYR 14 -0.812 14.161 -17.188 127 HD2 TYR 14 HD2 TYR 14 -1.016 17.032 -14.021 128 HE1 TYR 14 HE1 TYR 14 -3.150 14.639 -17.764 129 HE2 TYR 14 HE2 TYR 14 -3.351 17.507 -14.610 130 HH TYR 14 HH TYR 14 -4.825 17.312 -16.630 131 H HIS 15 H HIS 15 2.521 17.558 -14.407 132 HA HIS 15 HA HIS 15 1.104 19.908 -15.084 133 HB2 HIS 15 HB2 HIS 15 1.982 19.519 -12.803 134 HB3 HIS 15 HB3 HIS 15 3.634 19.569 -13.411 135 HD1 HIS 15 HD1 HIS 15 4.684 21.877 -13.740 136 HD2 HIS 15 HD2 HIS 15 0.669 22.072 -12.701 137 HE1 HIS 15 HE1 HIS 15 4.236 24.291 -13.259 138 HE2 HIS 15 HE2 HIS 15 1.826 24.369 -12.515 139 H GLN 16 H GLN 16 4.271 18.668 -15.930 140 HA GLN 16 HA GLN 16 5.345 20.923 -17.268 141 HB2 GLN 16 HB2 GLN 16 6.775 19.134 -16.487 142 HB3 GLN 16 HB3 GLN 16 5.895 17.942 -17.427 143 HG2 GLN 16 HG2 GLN 16 6.778 18.995 -19.510 144 HG3 GLN 16 HG3 GLN 16 7.742 20.093 -18.516 145 HE21 GLN 16 HE21 GLN 16 8.530 17.900 -20.439 146 HE22 GLN 16 HE22 GLN 16 9.596 16.894 -19.532 147 H LEU 17 H LEU 17 3.226 18.289 -18.306 148 HA LEU 17 HA LEU 17 3.367 18.982 -21.122 149 HB2 LEU 17 HB2 LEU 17 1.616 17.042 -19.581 150 HB3 LEU 17 HB3 LEU 17 1.554 17.233 -21.329 151 HG LEU 17 HG LEU 17 4.044 16.372 -19.804 152 HD11 LEU 17 HD11 LEU 17 2.349 14.646 -19.577 153 HD12 LEU 17 HD12 LEU 17 3.625 14.108 -20.669 154 HD13 LEU 17 HD13 LEU 17 2.077 14.648 -21.321 155 HD21 LEU 17 HD21 LEU 17 4.923 15.747 -22.020 156 HD22 LEU 17 HD22 LEU 17 4.580 17.471 -21.926 157 HD23 LEU 17 HD23 LEU 17 3.473 16.400 -22.786 158 H THR 18 H THR 18 1.171 19.629 -18.428 159 HA THR 18 HA THR 18 -0.956 20.622 -20.144 160 HB THR 18 HB THR 18 -2.176 21.020 -17.944 161 HG1 THR 18 HG1 THR 18 -0.405 19.440 -16.537 162 HG21 THR 18 HG21 THR 18 -2.481 18.912 -19.204 163 HG22 THR 18 HG22 THR 18 -2.524 18.618 -17.464 164 HG23 THR 18 HG23 THR 18 -1.078 18.213 -18.389 165 H GLU 19 H GLU 19 0.850 22.042 -17.381 166 HA GLU 19 HA GLU 19 0.201 24.761 -18.286 167 HB2 GLU 19 HB2 GLU 19 1.664 23.802 -15.788 168 HB3 GLU 19 HB3 GLU 19 1.134 25.453 -16.096 169 HG2 GLU 19 HG2 GLU 19 -0.642 23.031 -15.685 170 HG3 GLU 19 HG3 GLU 19 -0.387 24.352 -14.545 171 H GLY 20 H GLY 20 2.923 22.596 -17.943 172 HA2 GLY 20 HA2 GLY 20 4.938 22.634 -19.085 173 HA3 GLY 20 HA3 GLY 20 4.666 24.308 -19.530 174 H CYS 21 H CYS 21 5.829 25.726 -18.527 175 HA CYS 21 HA CYS 21 6.253 25.628 -15.652 176 HB2 CYS 21 HB2 CYS 21 8.708 26.105 -15.856 177 HB3 CYS 21 HB3 CYS 21 8.283 24.504 -16.452 178 H GLY 22 H GLY 22 4.983 27.216 -18.076 179 HA2 GLY 22 HA2 GLY 22 4.170 29.364 -18.176 180 HA3 GLY 22 HA3 GLY 22 5.212 29.824 -16.844 181 H ASN 23 H ASN 23 7.705 29.152 -17.937 182 HA ASN 23 HA ASN 23 8.299 31.516 -19.376 183 HB2 ASN 23 HB2 ASN 23 9.857 30.493 -17.747 184 HB3 ASN 23 HB3 ASN 23 10.042 29.083 -18.784 185 HD21 ASN 23 HD21 ASN 23 12.261 29.365 -18.985 186 HD22 ASN 23 HD22 ASN 23 12.964 30.632 -19.929 187 H GLU 24 H GLU 24 8.591 31.881 -21.481 188 HA GLU 24 HA GLU 24 8.012 29.925 -23.517 189 HB2 GLU 24 HB2 GLU 24 8.430 31.825 -25.094 190 HB3 GLU 24 HB3 GLU 24 7.240 32.197 -23.858 191 HG2 GLU 24 HG2 GLU 24 8.852 33.553 -22.631 192 HG3 GLU 24 HG3 GLU 24 10.138 33.080 -23.741 193 H ALA 25 H ALA 25 10.889 31.468 -22.219 194 HA ALA 25 HA ALA 25 12.729 30.459 -24.229 195 HB1 ALA 25 HB1 ALA 25 14.449 31.576 -22.877 196 HB2 ALA 25 HB2 ALA 25 13.280 31.861 -21.587 197 HB3 ALA 25 HB3 ALA 25 13.086 32.664 -23.146 198 H CYS 26 H CYS 26 11.743 28.254 -23.692 199 HA CYS 26 HA CYS 26 13.139 26.869 -21.478 200 HB2 CYS 26 HB2 CYS 26 10.803 26.959 -20.911 201 HB3 CYS 26 HB3 CYS 26 10.311 26.512 -22.543 202 H THR 27 H THR 27 14.443 25.273 -22.101 203 HA THR 27 HA THR 27 14.533 24.413 -24.903 204 HB THR 27 HB THR 27 16.624 25.219 -23.863 205 HG1 THR 27 HG1 THR 27 16.636 23.508 -25.482 206 HG21 THR 27 HG21 THR 27 16.419 22.828 -21.986 207 HG22 THR 27 HG22 THR 27 16.265 24.523 -21.519 208 HG23 THR 27 HG23 THR 27 17.805 23.915 -22.125 209 H ASN 28 H ASN 28 12.312 23.431 -23.412 210 HA ASN 28 HA ASN 28 12.840 20.516 -23.380 211 HB2 ASN 28 HB2 ASN 28 12.535 21.493 -21.052 212 HB3 ASN 28 HB3 ASN 28 10.911 21.984 -21.512 213 HD21 ASN 28 HD21 ASN 28 11.762 20.170 -19.380 214 HD22 ASN 28 HD22 ASN 28 10.980 18.659 -19.683 215 H GLU 29 H GLU 29 11.820 19.685 -25.073 216 HA GLU 29 HA GLU 29 9.696 21.015 -26.507 217 HB2 GLU 29 HB2 GLU 29 9.895 19.064 -28.071 218 HB3 GLU 29 HB3 GLU 29 11.423 19.886 -27.779 219 HG2 GLU 29 HG2 GLU 29 12.034 18.097 -26.145 220 HG3 GLU 29 HG3 GLU 29 10.531 17.267 -26.526 221 H PHE 30 H PHE 30 9.814 18.607 -24.049 222 HA PHE 30 HA PHE 30 7.090 17.584 -24.500 223 HB2 PHE 30 HB2 PHE 30 9.125 16.919 -22.313 224 HB3 PHE 30 HB3 PHE 30 7.610 16.066 -22.607 225 HD1 PHE 30 HD1 PHE 30 7.324 14.818 -24.836 226 HD2 PHE 30 HD2 PHE 30 11.115 16.275 -23.475 227 HE1 PHE 30 HE1 PHE 30 8.475 13.285 -26.373 228 HE2 PHE 30 HE2 PHE 30 12.254 14.737 -25.020 229 HZ PHE 30 HZ PHE 30 10.937 13.238 -26.466 230 H CYS 31 H CYS 31 7.173 20.360 -23.989 231 HA CYS 31 HA CYS 31 6.154 20.650 -21.244 232 HB2 CYS 31 HB2 CYS 31 8.568 21.072 -21.093 233 HB3 CYS 31 HB3 CYS 31 8.467 22.250 -22.386 234 H ALA 32 H ALA 32 4.315 21.777 -21.371 235 HA ALA 32 HA ALA 32 3.430 23.312 -23.574 236 HB1 ALA 32 HB1 ALA 32 2.431 23.298 -20.710 237 HB2 ALA 32 HB2 ALA 32 1.877 22.247 -22.012 238 HB3 ALA 32 HB3 ALA 32 1.573 23.982 -22.091 239 H SER 33 H SER 33 2.778 25.640 -23.422 240 HA SER 33 HA SER 33 3.371 27.809 -23.497 241 HB2 SER 33 HB2 SER 33 4.823 27.264 -20.868 242 HB3 SER 33 HB3 SER 33 4.461 28.866 -21.517 243 HG SER 33 HG SER 33 2.660 26.894 -20.564 244 H CYS 34 H CYS 34 5.463 25.420 -24.186 245 HA CYS 34 HA CYS 34 7.636 27.236 -25.033 246 HB2 CYS 34 HB2 CYS 34 7.659 24.186 -25.009 247 HB3 CYS 34 HB3 CYS 34 9.043 25.273 -25.150 248 HG CYS 34 HG CYS 34 7.158 25.439 -22.335 249 HA PRO 35 HA PRO 35 5.904 26.872 -29.201 250 HB2 PRO 35 HB2 PRO 35 8.063 27.616 -30.713 251 HB3 PRO 35 HB3 PRO 35 7.172 28.772 -29.710 252 HG2 PRO 35 HG2 PRO 35 9.724 27.288 -29.057 253 HG3 PRO 35 HG3 PRO 35 9.371 29.023 -28.888 254 HD2 PRO 35 HD2 PRO 35 9.229 27.342 -26.776 255 HD3 PRO 35 HD3 PRO 35 8.095 28.701 -26.947 256 H THR 36 H THR 36 8.507 24.954 -28.065 257 HA THR 36 HA THR 36 8.738 23.214 -30.390 258 HB THR 36 HB THR 36 10.447 22.040 -28.920 259 HG1 THR 36 HG1 THR 36 10.998 23.147 -26.960 260 HG21 THR 36 HG21 THR 36 12.125 23.855 -28.966 261 HG22 THR 36 HG22 THR 36 10.845 25.048 -29.189 262 HG23 THR 36 HG23 THR 36 11.169 23.858 -30.451 263 H PHE 37 H PHE 37 6.318 23.474 -28.318 264 HA PHE 37 HA PHE 37 5.970 20.588 -27.767 265 HB2 PHE 37 HB2 PHE 37 5.968 22.040 -25.764 266 HB3 PHE 37 HB3 PHE 37 4.652 22.989 -26.440 267 HD1 PHE 37 HD1 PHE 37 5.505 19.455 -25.480 268 HD2 PHE 37 HD2 PHE 37 2.437 22.424 -25.793 269 HE1 PHE 37 HE1 PHE 37 3.928 17.948 -24.360 270 HE2 PHE 37 HE2 PHE 37 0.864 20.907 -24.667 271 HZ PHE 37 HZ PHE 37 1.609 18.668 -23.946 272 H LEU 38 H LEU 38 4.383 19.542 -28.839 273 HA LEU 38 HA LEU 38 2.338 20.982 -30.382 274 HB2 LEU 38 HB2 LEU 38 3.725 18.814 -31.083 275 HB3 LEU 38 HB3 LEU 38 2.528 17.955 -30.135 276 HG LEU 38 HG LEU 38 1.949 19.682 -32.583 277 HD11 LEU 38 HD11 LEU 38 1.480 17.576 -33.757 278 HD12 LEU 38 HD12 LEU 38 1.950 16.661 -32.322 279 HD13 LEU 38 HD13 LEU 38 3.145 17.635 -33.180 280 HD21 LEU 38 HD21 LEU 38 -0.336 18.762 -32.529 281 HD22 LEU 38 HD22 LEU 38 0.020 19.692 -31.076 282 HD23 LEU 38 HD23 LEU 38 0.030 17.930 -31.012 283 H ARG 39 H ARG 39 0.347 21.306 -29.539 284 HA ARG 39 HA ARG 39 -0.246 20.762 -26.818 285 HB2 ARG 39 HB2 ARG 39 -1.772 22.045 -29.089 286 HB3 ARG 39 HB3 ARG 39 -2.621 21.664 -27.599 287 HG2 ARG 39 HG2 ARG 39 -1.851 24.017 -27.706 288 HG3 ARG 39 HG3 ARG 39 -1.199 23.143 -26.323 289 HD2 ARG 39 HD2 ARG 39 0.965 22.910 -27.449 290 HD3 ARG 39 HD3 ARG 39 0.309 23.679 -28.902 291 HE ARG 39 HE ARG 39 -0.164 25.542 -27.028 292 HH11 ARG 39 HH11 ARG 39 2.825 23.880 -27.866 293 HH12 ARG 39 HH12 ARG 39 3.828 25.191 -27.339 294 HH21 ARG 39 HH21 ARG 39 1.154 27.218 -26.334 295 HH22 ARG 39 HH22 ARG 39 2.879 27.085 -26.480 296 H MET 40 H MET 40 -2.151 19.654 -26.005 297 HA MET 40 HA MET 40 -2.785 17.142 -27.419 298 HB2 MET 40 HB2 MET 40 -2.018 15.875 -25.332 299 HB3 MET 40 HB3 MET 40 -0.726 16.595 -26.285 300 HG2 MET 40 HG2 MET 40 -0.281 16.922 -23.919 301 HG3 MET 40 HG3 MET 40 -0.596 18.481 -24.689 302 HE1 MET 40 HE1 MET 40 -1.594 20.112 -23.021 303 HE2 MET 40 HE2 MET 40 -0.763 19.065 -21.868 304 HE3 MET 40 HE3 MET 40 -2.414 19.594 -21.550 305 H ASP 41 H ASP 41 -4.236 15.738 -25.970 306 HA ASP 41 HA ASP 41 -6.299 17.311 -24.575 307 HB2 ASP 41 HB2 ASP 41 -6.961 15.555 -26.229 308 HB3 ASP 41 HB3 ASP 41 -6.141 14.330 -25.266 309 H ASN 42 H ASN 42 -6.961 16.568 -22.358 310 HA ASN 42 HA ASN 42 -4.783 16.424 -20.561 311 HB2 ASN 42 HB2 ASN 42 -7.768 16.026 -20.157 312 HB3 ASN 42 HB3 ASN 42 -6.639 15.852 -18.820 313 HD21 ASN 42 HD21 ASN 42 -6.231 18.262 -21.384 314 HD22 ASN 42 HD22 ASN 42 -6.540 19.624 -20.384 315 H ASN 43 H ASN 43 -6.903 13.885 -21.827 316 HA ASN 43 HA ASN 43 -5.905 11.716 -20.293 317 HB2 ASN 43 HB2 ASN 43 -7.195 11.727 -23.061 318 HB3 ASN 43 HB3 ASN 43 -6.841 10.262 -22.149 319 HD21 ASN 43 HD21 ASN 43 -8.973 9.605 -21.939 320 HD22 ASN 43 HD22 ASN 43 -10.149 10.461 -21.001 321 H ALA 44 H ALA 44 -4.921 13.118 -23.406 322 HA ALA 44 HA ALA 44 -2.862 11.264 -24.059 323 HB1 ALA 44 HB1 ALA 44 -3.839 12.755 -25.751 324 HB2 ALA 44 HB2 ALA 44 -2.091 12.983 -25.666 325 HB3 ALA 44 HB3 ALA 44 -3.172 14.164 -24.923 326 H ALA 45 H ALA 45 -2.933 14.214 -22.144 327 HA ALA 45 HA ALA 45 -0.136 14.500 -21.677 328 HB1 ALA 45 HB1 ALA 45 -2.487 15.583 -20.084 329 HB2 ALA 45 HB2 ALA 45 -1.691 16.388 -21.436 330 HB3 ALA 45 HB3 ALA 45 -0.807 16.113 -19.937 331 H ALA 46 H ALA 46 -2.765 12.791 -20.042 332 HA ALA 46 HA ALA 46 -1.367 12.071 -17.667 333 HB1 ALA 46 HB1 ALA 46 -3.763 10.728 -18.968 334 HB2 ALA 46 HB2 ALA 46 -3.821 12.046 -17.796 335 HB3 ALA 46 HB3 ALA 46 -3.204 10.464 -17.313 336 H ILE 47 H ILE 47 -2.023 10.346 -20.710 337 HA ILE 47 HA ILE 47 -0.672 7.934 -20.189 338 HB ILE 47 HB ILE 47 -1.227 9.350 -22.842 339 HG12 ILE 47 HG12 ILE 47 -3.286 8.687 -21.645 340 HG13 ILE 47 HG13 ILE 47 -3.087 7.706 -23.090 341 HG21 ILE 47 HG21 ILE 47 -0.795 7.177 -23.985 342 HG22 ILE 47 HG22 ILE 47 -0.227 6.500 -22.457 343 HG23 ILE 47 HG23 ILE 47 0.650 7.831 -23.211 344 HD11 ILE 47 HD11 ILE 47 -2.511 6.841 -20.253 345 HD12 ILE 47 HD12 ILE 47 -2.260 5.849 -21.691 346 HD13 ILE 47 HD13 ILE 47 -3.887 6.362 -21.247 347 H LYS 48 H LYS 48 0.410 10.919 -21.810 348 HA LYS 48 HA LYS 48 3.023 9.951 -22.404 349 HB2 LYS 48 HB2 LYS 48 1.781 11.739 -23.701 350 HB3 LYS 48 HB3 LYS 48 2.100 12.848 -22.374 351 HG2 LYS 48 HG2 LYS 48 3.695 13.191 -24.205 352 HG3 LYS 48 HG3 LYS 48 4.522 12.635 -22.748 353 HD2 LYS 48 HD2 LYS 48 4.638 10.343 -23.665 354 HD3 LYS 48 HD3 LYS 48 3.756 10.859 -25.102 355 HE2 LYS 48 HE2 LYS 48 6.489 11.891 -24.270 356 HE3 LYS 48 HE3 LYS 48 6.199 10.657 -25.497 357 HZ1 LYS 48 HZ1 LYS 48 5.287 13.480 -25.619 358 HZ2 LYS 48 HZ2 LYS 48 4.940 12.290 -26.767 359 HZ3 LYS 48 HZ3 LYS 48 6.535 12.780 -26.519 360 H ALA 49 H ALA 49 1.631 11.609 -19.627 361 HA ALA 49 HA ALA 49 3.992 12.490 -18.339 362 HB1 ALA 49 HB1 ALA 49 2.677 12.473 -16.253 363 HB2 ALA 49 HB2 ALA 49 1.415 11.522 -17.043 364 HB3 ALA 49 HB3 ALA 49 1.744 13.169 -17.579 365 H LEU 50 H LEU 50 2.234 9.419 -18.214 366 HA LEU 50 HA LEU 50 4.035 8.061 -16.453 367 HB2 LEU 50 HB2 LEU 50 1.746 7.202 -18.228 368 HB3 LEU 50 HB3 LEU 50 2.816 5.967 -17.597 369 HG LEU 50 HG LEU 50 0.824 6.155 -16.199 370 HD11 LEU 50 HD11 LEU 50 1.883 6.391 -14.001 371 HD12 LEU 50 HD12 LEU 50 3.279 7.180 -14.739 372 HD13 LEU 50 HD13 LEU 50 2.917 5.493 -15.112 373 HD21 LEU 50 HD21 LEU 50 0.313 8.164 -14.879 374 HD22 LEU 50 HD22 LEU 50 0.222 8.490 -16.608 375 HD23 LEU 50 HD23 LEU 50 1.622 9.037 -15.684 376 H GLU 51 H GLU 51 3.903 8.438 -19.970 377 HA GLU 51 HA GLU 51 5.898 6.499 -20.607 378 HB2 GLU 51 HB2 GLU 51 4.873 8.918 -22.127 379 HB3 GLU 51 HB3 GLU 51 6.089 7.834 -22.798 380 HG2 GLU 51 HG2 GLU 51 3.251 7.092 -22.010 381 HG3 GLU 51 HG3 GLU 51 3.872 7.283 -23.649 382 H LEU 52 H LEU 52 6.024 9.974 -19.987 383 HA LEU 52 HA LEU 52 8.838 10.270 -20.373 384 HB2 LEU 52 HB2 LEU 52 6.889 12.049 -18.863 385 HB3 LEU 52 HB3 LEU 52 8.542 12.479 -19.269 386 HG LEU 52 HG LEU 52 6.265 12.046 -21.241 387 HD11 LEU 52 HD11 LEU 52 6.496 14.431 -21.733 388 HD12 LEU 52 HD12 LEU 52 7.757 14.577 -20.508 389 HD13 LEU 52 HD13 LEU 52 6.109 14.167 -20.032 390 HD21 LEU 52 HD21 LEU 52 9.150 12.760 -21.867 391 HD22 LEU 52 HD22 LEU 52 7.819 12.703 -23.022 392 HD23 LEU 52 HD23 LEU 52 8.357 11.224 -22.234 393 H TYR 53 H TYR 53 6.815 9.342 -17.694 394 HA TYR 53 HA TYR 53 8.698 9.605 -15.586 395 HB2 TYR 53 HB2 TYR 53 6.324 9.442 -15.077 396 HB3 TYR 53 HB3 TYR 53 6.206 7.874 -15.871 397 HD1 TYR 53 HD1 TYR 53 8.046 9.541 -13.024 398 HD2 TYR 53 HD2 TYR 53 6.280 5.936 -14.504 399 HE1 TYR 53 HE1 TYR 53 8.510 8.429 -10.883 400 HE2 TYR 53 HE2 TYR 53 6.751 4.829 -12.366 401 HH TYR 53 HH TYR 53 8.374 5.099 -10.461 402 H LYS 54 H LYS 54 7.750 6.811 -17.599 403 HA LYS 54 HA LYS 54 9.425 4.940 -16.239 404 HB2 LYS 54 HB2 LYS 54 8.720 3.336 -17.951 405 HB3 LYS 54 HB3 LYS 54 7.341 4.255 -17.363 406 HG2 LYS 54 HG2 LYS 54 7.520 5.708 -19.402 407 HG3 LYS 54 HG3 LYS 54 8.769 4.631 -20.014 408 HD2 LYS 54 HD2 LYS 54 5.925 3.773 -19.364 409 HD3 LYS 54 HD3 LYS 54 6.471 4.244 -20.969 410 HE2 LYS 54 HE2 LYS 54 6.461 1.875 -20.934 411 HE3 LYS 54 HE3 LYS 54 8.154 2.348 -20.832 412 HZ1 LYS 54 HZ1 LYS 54 8.109 1.893 -18.478 413 HZ2 LYS 54 HZ2 LYS 54 7.566 0.543 -19.327 414 HZ3 LYS 54 HZ3 LYS 54 6.462 1.539 -18.535 415 H ILE 55 H ILE 55 9.896 6.991 -19.086 416 HA ILE 55 HA ILE 55 12.476 5.731 -19.740 417 HB ILE 55 HB ILE 55 12.596 7.212 -21.664 418 HG12 ILE 55 HG12 ILE 55 10.121 8.632 -20.552 419 HG13 ILE 55 HG13 ILE 55 11.728 9.326 -20.700 420 HG21 ILE 55 HG21 ILE 55 11.197 5.191 -21.894 421 HG22 ILE 55 HG22 ILE 55 10.585 6.494 -22.910 422 HG23 ILE 55 HG23 ILE 55 9.770 6.106 -21.394 423 HD11 ILE 55 HD11 ILE 55 9.871 8.568 -22.951 424 HD12 ILE 55 HD12 ILE 55 11.522 9.154 -23.167 425 HD13 ILE 55 HD13 ILE 55 10.307 10.191 -22.420 426 H ASN 56 H ASN 56 11.329 8.169 -17.676 427 HA ASN 56 HA ASN 56 12.196 9.829 -16.416 428 HB2 ASN 56 HB2 ASN 56 14.813 8.359 -16.890 429 HB3 ASN 56 HB3 ASN 56 14.583 9.610 -15.672 430 HD21 ASN 56 HD21 ASN 56 13.782 6.324 -16.603 431 HD22 ASN 56 HD22 ASN 56 13.213 5.825 -15.049 432 H ALA 57 H ALA 57 11.563 10.946 -18.510 433 HA ALA 57 HA ALA 57 13.569 11.982 -20.258 434 HB1 ALA 57 HB1 ALA 57 10.673 12.838 -19.882 435 HB2 ALA 57 HB2 ALA 57 11.249 11.610 -21.009 436 HB3 ALA 57 HB3 ALA 57 11.724 13.292 -21.230 437 H LYS 58 H LYS 58 13.620 14.403 -20.668 438 HA LYS 58 HA LYS 58 14.704 15.861 -18.536 439 HB2 LYS 58 HB2 LYS 58 14.574 17.806 -20.126 440 HB3 LYS 58 HB3 LYS 58 15.301 16.364 -20.819 441 HG2 LYS 58 HG2 LYS 58 12.908 15.883 -21.774 442 HG3 LYS 58 HG3 LYS 58 12.602 17.584 -21.423 443 HD2 LYS 58 HD2 LYS 58 14.741 16.471 -23.278 444 HD3 LYS 58 HD3 LYS 58 13.274 17.327 -23.752 445 HE2 LYS 58 HE2 LYS 58 14.093 19.373 -22.697 446 HE3 LYS 58 HE3 LYS 58 15.535 18.535 -22.121 447 HZ1 LYS 58 HZ1 LYS 58 16.252 18.220 -24.358 448 HZ2 LYS 58 HZ2 LYS 58 15.879 19.857 -24.152 449 HZ3 LYS 58 HZ3 LYS 58 14.814 18.845 -24.977 450 H LEU 59 H LEU 59 13.802 17.114 -16.971 451 HA LEU 59 HA LEU 59 10.860 17.475 -16.991 452 HB2 LEU 59 HB2 LEU 59 11.914 15.606 -15.497 453 HB3 LEU 59 HB3 LEU 59 12.457 16.911 -14.462 454 HG LEU 59 HG LEU 59 9.520 16.461 -15.154 455 HD11 LEU 59 HD11 LEU 59 10.969 15.456 -12.691 456 HD12 LEU 59 HD12 LEU 59 10.383 14.462 -14.024 457 HD13 LEU 59 HD13 LEU 59 9.234 15.331 -13.012 458 HD21 LEU 59 HD21 LEU 59 9.049 17.821 -13.194 459 HD22 LEU 59 HD22 LEU 59 10.049 18.713 -14.317 460 HD23 LEU 59 HD23 LEU 59 10.768 18.017 -12.864 461 H CYS 60 H CYS 60 10.118 19.473 -16.539 462 HA CYS 60 HA CYS 60 11.956 21.615 -15.706 463 HB2 CYS 60 HB2 CYS 60 9.065 21.666 -16.661 464 HB3 CYS 60 HB3 CYS 60 9.915 23.093 -16.081 465 H ASP 61 H ASP 61 12.315 20.896 -13.573 466 HA ASP 61 HA ASP 61 10.127 21.084 -11.611 467 HB2 ASP 61 HB2 ASP 61 11.751 20.278 -9.997 468 HB3 ASP 61 HB3 ASP 61 11.944 19.300 -11.445 469 HA PRO 62 HA PRO 62 11.151 25.365 -10.485 470 HB2 PRO 62 HB2 PRO 62 11.367 24.675 -7.574 471 HB3 PRO 62 HB3 PRO 62 10.258 25.797 -8.375 472 HG2 PRO 62 HG2 PRO 62 9.372 23.446 -7.422 473 HG3 PRO 62 HG3 PRO 62 8.751 24.097 -8.956 474 HD2 PRO 62 HD2 PRO 62 10.853 21.967 -8.516 475 HD3 PRO 62 HD3 PRO 62 9.486 21.970 -9.652 476 H HIS 63 H HIS 63 13.179 25.894 -11.164 477 HA HIS 63 HA HIS 63 15.571 24.822 -9.769 478 HB2 HIS 63 HB2 HIS 63 16.795 25.179 -11.880 479 HB3 HIS 63 HB3 HIS 63 15.389 24.162 -12.155 480 HD1 HIS 63 HD1 HIS 63 16.909 27.399 -13.145 481 HD2 HIS 63 HD2 HIS 63 13.307 25.409 -13.660 482 HE1 HIS 63 HE1 HIS 63 15.725 28.623 -14.978 483 HE2 HIS 63 HE2 HIS 63 13.492 27.482 -15.167 484 HA PRO 64 HA PRO 64 16.738 28.994 -8.498 485 HB2 PRO 64 HB2 PRO 64 19.499 28.898 -8.665 486 HB3 PRO 64 HB3 PRO 64 18.567 28.148 -7.365 487 HG2 PRO 64 HG2 PRO 64 19.716 26.876 -9.845 488 HG3 PRO 64 HG3 PRO 64 19.735 26.283 -8.168 489 HD2 PRO 64 HD2 PRO 64 17.961 25.352 -9.996 490 HD3 PRO 64 HD3 PRO 64 17.526 25.521 -8.281
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