NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
555821 | 2lrs | 18393 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASN 15 HT1 ASN 15 -5.510 6.982 5.577 2 H2 ASN 15 HT2 ASN 15 -5.909 6.139 4.167 3 H3 ASN 15 HT3 ASN 15 -4.573 5.664 5.089 4 HA ASN 15 HA ASN 15 -6.385 4.159 5.456 5 HB2 ASN 15 HB2 ASN 15 -4.826 4.792 7.331 6 HB3 ASN 15 HB1 ASN 15 -6.034 5.954 7.864 7 HD21 ASN 15 HD21 ASN 15 -6.361 4.970 9.821 8 HD22 ASN 15 HD22 ASN 15 -7.175 3.454 9.981 9 H ASP 16 HN ASP 16 -7.288 7.471 5.345 10 HA ASP 16 HA ASP 16 -9.741 7.407 6.726 11 HB2 ASP 16 HB2 ASP 16 -8.729 9.170 4.503 12 HB3 ASP 16 HB1 ASP 16 -10.323 9.383 5.213 13 H ILE 17 HN ILE 17 -8.966 6.857 3.318 14 HA ILE 17 HA ILE 17 -11.612 6.700 2.425 15 HB ILE 17 HB ILE 17 -9.103 5.544 1.216 16 HG12 ILE 17 HG12 ILE 17 -9.522 7.420 -0.434 17 HG13 ILE 17 HG11 ILE 17 -10.747 8.013 0.672 18 HG21 ILE 17 HG21 ILE 17 -10.430 5.321 -0.863 19 HG22 ILE 17 HG22 ILE 17 -11.883 5.688 0.064 20 HG23 ILE 17 HG23 ILE 17 -10.957 4.231 0.419 21 HD11 ILE 17 HD11 ILE 17 -7.838 7.693 1.341 22 HD12 ILE 17 HD12 ILE 17 -9.095 8.380 2.372 23 HD13 ILE 17 HD13 ILE 17 -8.627 9.205 0.885 24 H CYS 18 HN CYS 18 -9.380 4.218 3.583 25 HA CYS 18 HA CYS 18 -11.056 2.005 2.979 26 HB2 CYS 18 HB2 CYS 18 -8.580 1.894 3.390 27 HB3 CYS 18 HB1 CYS 18 -8.898 2.192 5.095 28 HG CYS 18 HG CYS 18 -9.678 -0.224 5.753 29 H LEU 19 HN LEU 19 -10.531 4.013 5.803 30 HA LEU 19 HA LEU 19 -12.179 2.660 7.635 31 HB2 LEU 19 HB2 LEU 19 -10.536 4.438 8.157 32 HB3 LEU 19 HB1 LEU 19 -11.611 5.612 7.445 33 HG LEU 19 HG LEU 19 -13.315 5.023 9.171 34 HD11 LEU 19 HD11 LEU 19 -12.563 3.816 11.167 35 HD12 LEU 19 HD12 LEU 19 -11.037 3.450 10.361 36 HD13 LEU 19 HD13 LEU 19 -12.548 2.793 9.732 37 HD21 LEU 19 HD21 LEU 19 -10.652 5.984 10.205 38 HD22 LEU 19 HD22 LEU 19 -12.217 6.250 10.972 39 HD23 LEU 19 HD23 LEU 19 -11.868 6.975 9.403 40 H ARG 20 HN ARG 20 -12.795 5.442 5.527 41 HA ARG 20 HA ARG 20 -15.471 5.871 6.147 42 HB2 ARG 20 HB2 ARG 20 -13.947 7.406 4.932 43 HB3 ARG 20 HB1 ARG 20 -14.021 6.343 3.539 44 HG2 ARG 20 HG2 ARG 20 -16.397 6.798 3.295 45 HG3 ARG 20 HG1 ARG 20 -16.352 7.834 4.725 46 HD2 ARG 20 HD2 ARG 20 -14.728 9.290 3.613 47 HD3 ARG 20 HD1 ARG 20 -14.787 8.263 2.184 48 HE ARG 20 HE ARG 20 -17.391 9.071 2.705 49 HH11 ARG 20 HH11 ARG 20 -14.329 10.548 1.878 50 HH12 ARG 20 HH12 ARG 20 -15.048 11.871 1.019 51 HH21 ARG 20 HH21 ARG 20 -18.349 10.822 1.563 52 HH22 ARG 20 HH22 ARG 20 -17.330 12.019 0.830 53 H LYS 21 HN LYS 21 -13.985 3.695 3.801 54 HA LYS 21 HA LYS 21 -16.405 2.939 2.495 55 HB2 LYS 21 HB2 LYS 21 -13.574 2.030 2.517 56 HB3 LYS 21 HB1 LYS 21 -14.786 0.925 1.883 57 HG2 LYS 21 HG2 LYS 21 -14.336 3.736 0.913 58 HG3 LYS 21 HG1 LYS 21 -13.723 2.272 0.135 59 HD2 LYS 21 HD2 LYS 21 -16.080 1.470 -0.026 60 HD3 LYS 21 HD1 LYS 21 -16.589 3.054 0.562 61 HE2 LYS 21 HE2 LYS 21 -15.524 4.115 -1.355 62 HE3 LYS 21 HE1 LYS 21 -14.947 2.553 -1.914 63 HZ1 LYS 21 HZ1 LYS 21 -17.763 3.468 -1.768 64 HZ2 LYS 21 HZ2 LYS 21 -17.310 1.875 -2.110 65 HZ3 LYS 21 HZ3 LYS 21 -16.868 3.120 -3.167 66 H ASN 22 HN ASN 22 -15.338 2.384 5.478 67 HA ASN 22 HA ASN 22 -15.907 1.048 7.209 68 HB2 ASN 22 HB2 ASN 22 -18.210 1.412 6.254 69 HB3 ASN 22 HB1 ASN 22 -18.030 -0.114 5.400 70 HD21 ASN 22 HD21 ASN 22 -18.283 1.395 8.538 71 HD22 ASN 22 HD22 ASN 22 -18.761 -0.026 9.403 72 H TRP 23 HN TRP 23 -13.798 0.257 5.631 73 HA TRP 23 HA TRP 23 -14.006 -2.681 5.675 74 HB2 TRP 23 HB2 TRP 23 -11.820 -0.918 4.544 75 HB3 TRP 23 HB1 TRP 23 -11.864 -2.670 4.460 76 HD1 TRP 23 HD1 TRP 23 -14.955 -2.908 3.473 77 HE1 TRP 23 HE1 TRP 23 -15.476 -2.267 1.018 78 HE3 TRP 23 HE3 TRP 23 -10.870 -0.026 2.532 79 HZ2 TRP 23 HZ2 TRP 23 -14.258 -0.724 -1.048 80 HZ3 TRP 23 HZ3 TRP 23 -10.611 0.990 0.327 81 HH2 TRP 23 HH2 TRP 23 -12.266 0.651 -1.434 82 HA PRO 24 HA PRO 24 -11.258 -2.829 9.225 83 HB2 PRO 24 HB2 PRO 24 -9.641 -4.916 8.554 84 HB3 PRO 24 HB1 PRO 24 -11.273 -5.114 9.198 85 HG2 PRO 24 HG2 PRO 24 -10.312 -5.284 6.381 86 HG3 PRO 24 HG1 PRO 24 -11.534 -6.260 7.211 87 HD2 PRO 24 HD2 PRO 24 -12.150 -4.245 5.498 88 HD3 PRO 24 HD1 PRO 24 -13.193 -4.705 6.853 89 H MET 25 HN MET 25 -8.668 -3.086 9.553 90 HA MET 25 HA MET 25 -7.600 -0.901 8.009 91 HB2 MET 25 HB2 MET 25 -6.266 -2.557 10.149 92 HB3 MET 25 HB1 MET 25 -5.751 -0.983 9.560 93 HG2 MET 25 HG2 MET 25 -8.414 -1.408 10.867 94 HG3 MET 25 HG1 MET 25 -6.961 -1.066 11.788 95 HE1 MET 25 HE1 MET 25 -9.940 0.328 9.916 96 HE2 MET 25 HE2 MET 25 -8.860 0.396 8.525 97 HE3 MET 25 HE3 MET 25 -9.421 1.888 9.276 98 HA PRO 26 HA PRO 26 -5.938 -3.496 4.864 99 HB2 PRO 26 HB2 PRO 26 -4.036 -1.333 4.331 100 HB3 PRO 26 HB1 PRO 26 -5.280 -2.015 3.290 101 HG2 PRO 26 HG2 PRO 26 -5.515 0.437 4.377 102 HG3 PRO 26 HG1 PRO 26 -6.916 -0.611 4.090 103 HD2 PRO 26 HD2 PRO 26 -5.486 -0.009 6.638 104 HD3 PRO 26 HD1 PRO 26 -7.218 -0.260 6.339 105 H SER 27 HN SER 27 -3.909 -4.329 4.058 106 HA SER 27 HA SER 27 -2.078 -4.965 6.220 107 HB2 SER 27 HB2 SER 27 -3.000 -6.680 4.610 108 HB3 SER 27 HB1 SER 27 -2.029 -5.927 3.355 109 HG SER 27 HG SER 27 -1.164 -7.274 5.689 110 H TYR 28 HN TYR 28 0.106 -4.454 6.263 111 HA TYR 28 HA TYR 28 1.219 -2.837 4.141 112 HB2 TYR 28 HB2 TYR 28 0.785 -1.815 6.943 113 HB3 TYR 28 HB1 TYR 28 2.040 -1.161 5.902 114 HD1 TYR 28 HD1 TYR 28 1.466 0.202 3.964 115 HD2 TYR 28 HD2 TYR 28 -1.565 -1.357 6.510 116 HE1 TYR 28 HE1 TYR 28 -0.145 1.776 2.990 117 HE2 TYR 28 HE2 TYR 28 -3.191 0.208 5.536 118 HH TYR 28 HH TYR 28 -2.521 2.030 2.711 119 H ARG 29 HN ARG 29 3.091 -3.960 3.755 120 HA ARG 29 HA ARG 29 4.976 -4.319 5.895 121 HB2 ARG 29 HB2 ARG 29 3.510 -6.318 6.122 122 HB3 ARG 29 HB1 ARG 29 3.912 -6.766 4.471 123 HG2 ARG 29 HG2 ARG 29 6.212 -7.096 5.054 124 HG3 ARG 29 HG1 ARG 29 5.932 -6.474 6.682 125 HD2 ARG 29 HD2 ARG 29 4.446 -8.345 7.155 126 HD3 ARG 29 HD1 ARG 29 4.667 -8.950 5.516 127 HE ARG 29 HE ARG 29 7.194 -8.788 6.534 128 HH11 ARG 29 HH11 ARG 29 4.242 -10.411 7.497 129 HH12 ARG 29 HH12 ARG 29 5.071 -11.731 8.262 130 HH21 ARG 29 HH21 ARG 29 8.279 -10.516 7.537 131 HH22 ARG 29 HH22 ARG 29 7.369 -11.795 8.274 132 H CYS 30 HN CYS 30 6.983 -4.107 5.107 133 HA CYS 30 HA CYS 30 7.410 -3.482 2.395 134 HB2 CYS 30 HB2 CYS 30 9.437 -4.186 4.527 135 HB3 CYS 30 HB1 CYS 30 9.795 -3.396 2.995 136 HG CYS 30 HG CYS 30 9.469 -1.874 5.670 137 H VAL 31 HN VAL 31 7.777 -4.731 0.700 138 HA VAL 31 HA VAL 31 7.924 -7.592 1.076 139 HB VAL 31 HB VAL 31 7.805 -7.730 -1.376 140 HG11 VAL 31 HG11 VAL 31 5.526 -6.841 -1.611 141 HG12 VAL 31 HG12 VAL 31 5.753 -5.920 -0.124 142 HG13 VAL 31 HG13 VAL 31 5.755 -7.683 -0.079 143 HG21 VAL 31 HG21 VAL 31 7.717 -4.725 -1.284 144 HG22 VAL 31 HG22 VAL 31 7.356 -5.708 -2.702 145 HG23 VAL 31 HG23 VAL 31 8.979 -5.719 -2.011 146 H LYS 32 HN LYS 32 9.979 -4.968 0.000 147 HA LYS 32 HA LYS 32 12.277 -6.756 0.315 148 HB2 LYS 32 HB2 LYS 32 11.785 -6.323 -2.123 149 HB3 LYS 32 HB1 LYS 32 12.040 -4.617 -1.800 150 HG2 LYS 32 HG2 LYS 32 14.338 -5.096 -1.094 151 HG3 LYS 32 HG1 LYS 32 14.086 -6.796 -1.493 152 HD2 LYS 32 HD2 LYS 32 13.681 -6.209 -3.820 153 HD3 LYS 32 HD1 LYS 32 13.867 -4.497 -3.434 154 HE2 LYS 32 HE2 LYS 32 15.908 -5.343 -4.417 155 HE3 LYS 32 HE1 LYS 32 16.184 -4.932 -2.728 156 HZ1 LYS 32 HZ1 LYS 32 17.207 -7.036 -3.307 157 HZ2 LYS 32 HZ2 LYS 32 15.713 -7.667 -3.779 158 HZ3 LYS 32 HZ3 LYS 32 15.987 -7.269 -2.160 159 H GLU 33 HN GLU 33 13.574 -5.963 1.819 160 HA GLU 33 HA GLU 33 14.033 -3.091 2.032 161 HB2 GLU 33 HB2 GLU 33 12.131 -3.737 3.568 162 HB3 GLU 33 HB1 GLU 33 13.265 -4.749 4.442 163 HG2 GLU 33 HG2 GLU 33 13.780 -1.825 4.075 164 HG3 GLU 33 HG1 GLU 33 12.713 -2.408 5.346 165 H GLY 34 HN GLY 34 16.141 -2.706 2.297 166 HA2 GLY 34 HA2 GLY 34 18.336 -2.993 2.955 167 HA3 GLY 34 HA1 GLY 34 17.837 -4.416 3.857 168 H GLY 35 HN GLY 35 20.105 -4.858 2.799 169 HA2 GLY 35 HA2 GLY 35 19.991 -7.070 1.266 170 HA3 GLY 35 HA1 GLY 35 19.928 -5.789 0.065 171 HA PRO 36 HA PRO 36 24.408 -6.560 0.687 172 HB2 PRO 36 HB2 PRO 36 24.603 -5.858 -2.138 173 HB3 PRO 36 HB1 PRO 36 25.041 -7.364 -1.335 174 HG2 PRO 36 HG2 PRO 36 22.937 -7.178 -3.023 175 HG3 PRO 36 HG1 PRO 36 22.965 -8.294 -1.645 176 HD2 PRO 36 HD2 PRO 36 21.633 -5.622 -1.892 177 HD3 PRO 36 HD1 PRO 36 21.016 -7.124 -1.167 178 H ALA 37 HN ALA 37 23.456 -4.281 1.687 179 HA ALA 37 HA ALA 37 24.154 -2.220 2.296 180 HB1 ALA 37 HB1 ALA 37 26.287 -1.347 1.537 181 HB2 ALA 37 HB2 ALA 37 26.352 -2.568 0.266 182 HB3 ALA 37 HB3 ALA 37 26.424 -3.054 1.961 183 H HIS 38 HN HIS 38 24.605 -2.412 -1.243 184 HA HIS 38 HA HIS 38 23.663 0.288 -1.592 185 HB2 HIS 38 HB2 HIS 38 24.001 -0.140 -4.004 186 HB3 HIS 38 HB1 HIS 38 25.419 -0.550 -3.051 187 HD1 HIS 38 HD1 HIS 38 26.326 -2.868 -3.318 188 HD2 HIS 38 HD2 HIS 38 22.501 -2.482 -4.898 189 HE1 HIS 38 HE1 HIS 38 25.866 -5.033 -4.512 190 HE2 HIS 38 HE2 HIS 38 23.601 -4.726 -5.570 191 H ALA 39 HN ALA 39 21.849 -1.934 -0.565 192 HA ALA 39 HA ALA 39 19.678 -1.520 -2.505 193 HB1 ALA 39 HB1 ALA 39 18.862 -3.766 -2.051 194 HB2 ALA 39 HB2 ALA 39 20.203 -4.042 -0.942 195 HB3 ALA 39 HB3 ALA 39 20.515 -3.816 -2.662 196 H LYS 40 HN LYS 40 20.188 0.130 -0.292 197 HA LYS 40 HA LYS 40 18.345 -0.707 1.793 198 HB2 LYS 40 HB2 LYS 40 20.586 0.578 2.144 199 HB3 LYS 40 HB1 LYS 40 19.636 1.985 1.702 200 HG2 LYS 40 HG2 LYS 40 19.779 1.730 4.114 201 HG3 LYS 40 HG1 LYS 40 18.118 1.595 3.539 202 HD2 LYS 40 HD2 LYS 40 18.269 -0.844 3.678 203 HD3 LYS 40 HD1 LYS 40 19.935 -0.710 4.243 204 HE2 LYS 40 HE2 LYS 40 19.238 0.379 6.247 205 HE3 LYS 40 HE1 LYS 40 17.587 0.534 5.655 206 HZ1 LYS 40 HZ1 LYS 40 17.337 -1.844 5.747 207 HZ2 LYS 40 HZ2 LYS 40 17.847 -1.270 7.254 208 HZ3 LYS 40 HZ3 LYS 40 18.949 -2.036 6.233 209 H ARG 41 HN ARG 41 17.702 0.141 -1.085 210 HA ARG 41 HA ARG 41 15.679 2.162 -0.535 211 HB2 ARG 41 HB2 ARG 41 15.852 0.463 -3.022 212 HB3 ARG 41 HB1 ARG 41 15.036 2.001 -2.823 213 HG2 ARG 41 HG2 ARG 41 17.237 3.082 -2.496 214 HG3 ARG 41 HG1 ARG 41 18.006 1.535 -2.861 215 HD2 ARG 41 HD2 ARG 41 16.200 3.118 -4.683 216 HD3 ARG 41 HD1 ARG 41 17.945 2.938 -4.839 217 HE ARG 41 HE ARG 41 16.893 0.380 -4.853 218 HH11 ARG 41 HH11 ARG 41 16.663 3.272 -6.810 219 HH12 ARG 41 HH12 ARG 41 16.331 2.406 -8.276 220 HH21 ARG 41 HH21 ARG 41 16.457 -0.765 -6.771 221 HH22 ARG 41 HH22 ARG 41 16.220 0.100 -8.257 222 H PHE 42 HN PHE 42 13.513 1.714 -0.278 223 HA PHE 42 HA PHE 42 13.014 -1.110 0.385 224 HB2 PHE 42 HB2 PHE 42 11.492 1.219 1.538 225 HB3 PHE 42 HB1 PHE 42 11.631 -0.419 2.170 226 HD1 PHE 42 HD1 PHE 42 14.461 -0.949 2.222 227 HD2 PHE 42 HD2 PHE 42 12.390 2.673 3.054 228 HE1 PHE 42 HE1 PHE 42 16.334 -0.204 3.638 229 HE2 PHE 42 HE2 PHE 42 14.249 3.412 4.473 230 HZ PHE 42 HZ PHE 42 16.222 1.975 4.773 231 H THR 43 HN THR 43 11.377 -2.147 -0.494 232 HA THR 43 HA THR 43 9.489 -0.626 -2.169 233 HB THR 43 HB THR 43 10.452 -3.452 -2.712 234 HG1 THR 43 HG1 THR 43 11.741 -1.124 -3.108 235 HG21 THR 43 HG21 THR 43 8.277 -2.865 -3.681 236 HG22 THR 43 HG22 THR 43 9.500 -3.051 -4.938 237 HG23 THR 43 HG23 THR 43 8.992 -1.439 -4.435 238 H PHE 44 HN PHE 44 7.291 -1.083 -1.700 239 HA PHE 44 HA PHE 44 6.786 -3.339 0.065 240 HB2 PHE 44 HB2 PHE 44 6.835 -1.835 1.782 241 HB3 PHE 44 HB1 PHE 44 6.686 -0.456 0.704 242 HD1 PHE 44 HD2 PHE 44 4.660 -3.240 2.118 243 HD2 PHE 44 HD1 PHE 44 4.781 0.767 0.725 244 HE1 PHE 44 HE2 PHE 44 2.312 -2.948 2.769 245 HE2 PHE 44 HE1 PHE 44 2.442 1.071 1.390 246 HZ PHE 44 HZ PHE 44 1.205 -0.790 2.415 247 H GLY 45 HN GLY 45 4.552 -4.015 0.026 248 HA2 GLY 45 HA2 GLY 45 2.980 -2.855 -2.190 249 HA3 GLY 45 HA1 GLY 45 3.114 -4.591 -1.948 250 H VAL 46 HN VAL 46 0.826 -2.513 -1.810 251 HA VAL 46 HA VAL 46 -0.073 -3.009 0.962 252 HB VAL 46 HB VAL 46 -1.592 -1.180 -0.812 253 HG11 VAL 46 HG11 VAL 46 -2.405 -1.497 1.382 254 HG12 VAL 46 HG12 VAL 46 -1.708 0.123 1.323 255 HG13 VAL 46 HG13 VAL 46 -0.819 -1.191 2.086 256 HG21 VAL 46 HG21 VAL 46 -0.117 0.726 -0.321 257 HG22 VAL 46 HG22 VAL 46 0.632 -0.472 -1.376 258 HG23 VAL 46 HG23 VAL 46 1.077 -0.397 0.328 259 H ARG 47 HN ARG 47 -2.272 -3.762 1.280 260 HA ARG 47 HA ARG 47 -3.888 -4.189 -1.061 261 HB2 ARG 47 HB2 ARG 47 -4.396 -6.553 -0.380 262 HB3 ARG 47 HB1 ARG 47 -2.777 -6.316 -1.017 263 HG2 ARG 47 HG2 ARG 47 -2.024 -6.172 1.409 264 HG3 ARG 47 HG1 ARG 47 -3.624 -6.785 1.819 265 HD2 ARG 47 HD2 ARG 47 -3.212 -8.729 0.345 266 HD3 ARG 47 HD1 ARG 47 -1.578 -8.131 0.058 267 HE ARG 47 HE ARG 47 -2.547 -8.874 2.743 268 HH11 ARG 47 HH11 ARG 47 -0.059 -8.939 0.255 269 HH12 ARG 47 HH12 ARG 47 1.026 -9.891 1.215 270 HH21 ARG 47 HH21 ARG 47 -1.099 -10.098 3.987 271 HH22 ARG 47 HH22 ARG 47 0.439 -10.550 3.327 272 H VAL 48 HN VAL 48 -6.072 -4.206 -0.571 273 HA VAL 48 HA VAL 48 -6.761 -3.670 2.262 274 HB VAL 48 HB VAL 48 -7.923 -2.324 -0.180 275 HG11 VAL 48 HG11 VAL 48 -9.107 -0.890 1.435 276 HG12 VAL 48 HG12 VAL 48 -8.500 -1.903 2.746 277 HG13 VAL 48 HG13 VAL 48 -9.601 -2.580 1.544 278 HG21 VAL 48 HG21 VAL 48 -5.615 -1.613 0.475 279 HG22 VAL 48 HG22 VAL 48 -6.295 -1.073 2.010 280 HG23 VAL 48 HG23 VAL 48 -6.828 -0.333 0.502 281 H ASN 49 HN ASN 49 -8.992 -4.221 2.851 282 HA ASN 49 HA ASN 49 -9.910 -6.536 1.322 283 HB2 ASN 49 HB2 ASN 49 -9.526 -6.812 3.761 284 HB3 ASN 49 HB1 ASN 49 -10.791 -5.624 4.066 285 HD21 ASN 49 HD21 ASN 49 -12.010 -7.152 5.204 286 HD22 ASN 49 HD22 ASN 49 -12.878 -8.410 4.398 287 H THR 50 HN THR 50 -10.764 -5.379 -0.301 288 HA THR 50 HA THR 50 -12.940 -3.508 0.090 289 HB THR 50 HB THR 50 -13.419 -3.788 -2.364 290 HG1 THR 50 HG1 THR 50 -11.328 -5.673 -2.083 291 HG21 THR 50 HG21 THR 50 -11.362 -2.638 -3.094 292 HG22 THR 50 HG22 THR 50 -10.604 -3.065 -1.559 293 HG23 THR 50 HG23 THR 50 -12.004 -1.994 -1.584 294 H SER 51 HN SER 51 -14.688 -4.182 1.045 295 HA SER 51 HA SER 51 -15.412 -6.737 1.615 296 HB2 SER 51 HB2 SER 51 -16.301 -4.629 2.637 297 HB3 SER 51 HB1 SER 51 -17.381 -4.475 1.253 298 HG SER 51 HG SER 51 -17.307 -6.590 3.148 299 H ASP 52 HN ASP 52 -16.269 -4.965 -1.295 300 HA ASP 52 HA ASP 52 -18.288 -6.762 -2.173 301 HB2 ASP 52 HB2 ASP 52 -18.213 -5.553 -4.255 302 HB3 ASP 52 HB1 ASP 52 -18.148 -4.419 -2.914 303 H ARG 53 HN ARG 53 -14.817 -6.912 -2.342 304 HA ARG 53 HA ARG 53 -15.044 -9.195 -4.188 305 HB2 ARG 53 HB2 ARG 53 -14.305 -7.082 -5.358 306 HB3 ARG 53 HB1 ARG 53 -12.841 -7.141 -4.380 307 HG2 ARG 53 HG2 ARG 53 -12.154 -8.175 -6.306 308 HG3 ARG 53 HG1 ARG 53 -12.680 -9.562 -5.343 309 HD2 ARG 53 HD2 ARG 53 -13.627 -9.848 -7.497 310 HD3 ARG 53 HD1 ARG 53 -14.924 -9.322 -6.424 311 HE ARG 53 HE ARG 53 -13.651 -7.163 -7.820 312 HH11 ARG 53 HH11 ARG 53 -16.126 -9.623 -8.008 313 HH12 ARG 53 HH12 ARG 53 -17.091 -8.749 -9.155 314 HH21 ARG 53 HH21 ARG 53 -14.913 -6.004 -9.344 315 HH22 ARG 53 HH22 ARG 53 -16.398 -6.692 -9.919 316 H GLY 54 HN GLY 54 -13.011 -7.446 -1.893 317 HA2 GLY 54 HA2 GLY 54 -12.187 -8.848 -0.006 318 HA3 GLY 54 HA1 GLY 54 -11.645 -9.964 -1.238 319 H TRP 55 HN TRP 55 -9.557 -9.793 -0.318 320 HA TRP 55 HA TRP 55 -7.952 -7.583 -0.137 321 HB2 TRP 55 HB2 TRP 55 -7.414 -10.420 -0.892 322 HB3 TRP 55 HB1 TRP 55 -6.123 -9.245 -1.082 323 HD1 TRP 55 HD1 TRP 55 -6.915 -11.742 1.236 324 HE1 TRP 55 HE1 TRP 55 -6.191 -11.181 3.637 325 HE3 TRP 55 HE3 TRP 55 -6.328 -6.701 0.748 326 HZ2 TRP 55 HZ2 TRP 55 -5.453 -8.888 5.117 327 HZ3 TRP 55 HZ3 TRP 55 -5.610 -5.400 2.703 328 HH2 TRP 55 HH2 TRP 55 -5.195 -6.463 4.846 329 H THR 56 HN THR 56 -7.455 -6.032 -1.478 330 HA THR 56 HA THR 56 -8.065 -6.085 -4.248 331 HB THR 56 HB THR 56 -6.865 -3.901 -4.316 332 HG1 THR 56 HG1 THR 56 -5.348 -3.836 -2.803 333 HG21 THR 56 HG21 THR 56 -9.235 -3.986 -3.756 334 HG22 THR 56 HG22 THR 56 -8.423 -2.709 -2.849 335 HG23 THR 56 HG23 THR 56 -8.834 -4.231 -2.056 336 H ASP 57 HN ASP 57 -6.378 -5.376 -5.898 337 HA ASP 57 HA ASP 57 -4.262 -7.207 -6.109 338 HB2 ASP 57 HB2 ASP 57 -4.602 -4.503 -7.422 339 HB3 ASP 57 HB1 ASP 57 -3.402 -5.696 -7.892 340 H GLU 58 HN GLU 58 -2.240 -7.172 -5.349 341 HA GLU 58 HA GLU 58 -1.598 -5.447 -3.233 342 HB2 GLU 58 HB2 GLU 58 -0.756 -7.812 -3.678 343 HB3 GLU 58 HB1 GLU 58 0.398 -7.071 -4.768 344 HG2 GLU 58 HG2 GLU 58 1.430 -5.876 -3.001 345 HG3 GLU 58 HG1 GLU 58 0.150 -6.325 -1.873 346 H CYS 59 HN CYS 59 -1.005 -3.459 -3.352 347 HA CYS 59 HA CYS 59 -0.080 -2.365 -5.894 348 HB2 CYS 59 HB2 CYS 59 -0.891 -0.924 -3.360 349 HB3 CYS 59 HB1 CYS 59 -0.593 -0.183 -4.931 350 HG CYS 59 HG CYS 59 -2.939 -2.592 -4.905 351 H ILE 60 HN ILE 60 2.039 -2.875 -6.030 352 HA ILE 60 HA ILE 60 3.874 -2.401 -3.883 353 HB ILE 60 HB ILE 60 4.129 -3.278 -6.744 354 HG12 ILE 60 HG12 ILE 60 5.145 -5.248 -5.756 355 HG13 ILE 60 HG11 ILE 60 5.107 -4.511 -4.161 356 HG21 ILE 60 HG21 ILE 60 6.550 -3.360 -6.552 357 HG22 ILE 60 HG22 ILE 60 6.460 -2.582 -4.972 358 HG23 ILE 60 HG23 ILE 60 5.959 -1.705 -6.417 359 HD11 ILE 60 HD11 ILE 60 2.646 -4.512 -4.278 360 HD12 ILE 60 HD12 ILE 60 3.352 -6.126 -4.351 361 HD13 ILE 60 HD13 ILE 60 2.751 -5.361 -5.822 362 H GLY 61 HN GLY 61 4.810 -0.577 -3.386 363 HA2 GLY 61 HA2 GLY 61 4.491 1.774 -5.060 364 HA3 GLY 61 HA1 GLY 61 5.206 1.719 -3.454 365 H GLU 62 HN GLU 62 6.717 3.229 -4.685 366 HA GLU 62 HA GLU 62 8.630 1.858 -6.397 367 HB2 GLU 62 HB2 GLU 62 8.515 4.718 -5.418 368 HB3 GLU 62 HB1 GLU 62 9.694 4.090 -6.561 369 HG2 GLU 62 HG2 GLU 62 7.814 3.515 -8.083 370 HG3 GLU 62 HG1 GLU 62 6.725 4.329 -6.962 371 HA PRO 63 HA PRO 63 11.704 1.034 -3.239 372 HB2 PRO 63 HB2 PRO 63 13.628 2.149 -5.213 373 HB3 PRO 63 HB1 PRO 63 13.647 0.589 -4.384 374 HG2 PRO 63 HG2 PRO 63 12.989 0.771 -6.966 375 HG3 PRO 63 HG1 PRO 63 12.177 -0.378 -5.886 376 HD2 PRO 63 HD2 PRO 63 11.199 2.231 -6.961 377 HD3 PRO 63 HD1 PRO 63 10.306 0.731 -6.645 378 H MET 64 HN MET 64 11.621 2.457 -1.586 379 HA MET 64 HA MET 64 12.253 5.281 -2.130 380 HB2 MET 64 HB2 MET 64 10.510 4.057 0.011 381 HB3 MET 64 HB1 MET 64 10.872 5.773 -0.135 382 HG2 MET 64 HG2 MET 64 9.477 4.125 -2.228 383 HG3 MET 64 HG1 MET 64 8.681 5.156 -1.049 384 HE1 MET 64 HE1 MET 64 8.354 7.675 -1.275 385 HE2 MET 64 HE2 MET 64 9.481 8.718 -2.144 386 HE3 MET 64 HE3 MET 64 10.046 7.756 -0.779 387 HA PRO 65 HA PRO 65 15.685 4.792 0.597 388 HB2 PRO 65 HB2 PRO 65 16.296 7.349 1.094 389 HB3 PRO 65 HB1 PRO 65 16.465 6.653 -0.523 390 HG2 PRO 65 HG2 PRO 65 14.282 8.374 0.580 391 HG3 PRO 65 HG1 PRO 65 15.074 8.450 -1.004 392 HD2 PRO 65 HD2 PRO 65 12.639 7.258 -0.552 393 HD3 PRO 65 HD1 PRO 65 13.727 6.825 -1.886 394 H SER 66 HN SER 66 12.697 5.662 1.799 395 HA SER 66 HA SER 66 13.673 5.357 4.519 396 HB2 SER 66 HB2 SER 66 11.850 7.629 3.691 397 HB3 SER 66 HB1 SER 66 12.378 7.272 5.333 398 HG SER 66 HG SER 66 14.578 7.439 3.990 399 H VAL 67 HN VAL 67 12.230 4.275 5.829 400 HA VAL 67 HA VAL 67 10.458 2.553 4.442 401 HB VAL 67 HB VAL 67 9.864 1.638 6.669 402 HG11 VAL 67 HG11 VAL 67 12.100 0.802 7.231 403 HG12 VAL 67 HG12 VAL 67 12.814 2.039 6.196 404 HG13 VAL 67 HG13 VAL 67 11.801 0.777 5.493 405 HG21 VAL 67 HG21 VAL 67 11.708 3.780 7.723 406 HG22 VAL 67 HG22 VAL 67 11.015 2.460 8.664 407 HG23 VAL 67 HG23 VAL 67 9.965 3.697 7.973 408 H LYS 68 HN LYS 68 9.953 5.476 6.269 409 HA LYS 68 HA LYS 68 7.138 5.176 6.552 410 HB2 LYS 68 HB2 LYS 68 8.926 7.604 6.656 411 HB3 LYS 68 HB1 LYS 68 7.198 7.661 6.969 412 HG2 LYS 68 HG2 LYS 68 9.151 5.975 8.518 413 HG3 LYS 68 HG1 LYS 68 8.581 7.567 9.017 414 HD2 LYS 68 HD2 LYS 68 6.277 6.721 9.040 415 HD3 LYS 68 HD1 LYS 68 6.864 5.128 8.566 416 HE2 LYS 68 HE2 LYS 68 6.455 5.235 10.967 417 HE3 LYS 68 HE1 LYS 68 8.165 4.984 10.624 418 HZ1 LYS 68 HZ1 LYS 68 7.830 6.623 12.367 419 HZ2 LYS 68 HZ2 LYS 68 6.913 7.584 11.324 420 HZ3 LYS 68 HZ3 LYS 68 8.557 7.332 11.015 421 H LYS 69 HN LYS 69 9.231 6.546 4.084 422 HA LYS 69 HA LYS 69 7.106 7.728 2.577 423 HB2 LYS 69 HB2 LYS 69 9.879 6.986 1.628 424 HB3 LYS 69 HB1 LYS 69 8.774 8.119 0.865 425 HG2 LYS 69 HG2 LYS 69 8.933 9.544 2.876 426 HG3 LYS 69 HG1 LYS 69 10.147 8.437 3.511 427 HD2 LYS 69 HD2 LYS 69 11.329 10.239 2.519 428 HD3 LYS 69 HD1 LYS 69 11.472 8.873 1.409 429 HE2 LYS 69 HE2 LYS 69 9.737 9.785 -0.002 430 HE3 LYS 69 HE1 LYS 69 9.435 11.086 1.148 431 HZ1 LYS 69 HZ1 LYS 69 10.796 11.748 -0.788 432 HZ2 LYS 69 HZ2 LYS 69 12.011 10.691 -0.273 433 HZ3 LYS 69 HZ3 LYS 69 11.573 12.008 0.690 434 H ALA 70 HN ALA 70 8.693 4.648 2.752 435 HA ALA 70 HA ALA 70 7.956 3.533 0.310 436 HB1 ALA 70 HB1 ALA 70 9.529 2.474 1.868 437 HB2 ALA 70 HB2 ALA 70 8.242 1.365 1.387 438 HB3 ALA 70 HB3 ALA 70 8.196 2.134 2.973 439 H LYS 71 HN LYS 71 6.292 3.128 3.445 440 HA LYS 71 HA LYS 71 4.011 1.864 2.584 441 HB2 LYS 71 HB2 LYS 71 4.288 3.896 4.805 442 HB3 LYS 71 HB1 LYS 71 2.948 2.774 4.620 443 HG2 LYS 71 HG2 LYS 71 4.322 0.910 5.098 444 HG3 LYS 71 HG1 LYS 71 5.796 1.873 4.954 445 HD2 LYS 71 HD2 LYS 71 5.199 3.143 6.927 446 HD3 LYS 71 HD1 LYS 71 3.658 2.293 7.042 447 HE2 LYS 71 HE2 LYS 71 6.335 0.922 7.194 448 HE3 LYS 71 HE1 LYS 71 5.459 1.497 8.610 449 HZ1 LYS 71 HZ1 LYS 71 4.518 -0.540 6.666 450 HZ2 LYS 71 HZ2 LYS 71 3.601 0.058 7.955 451 HZ3 LYS 71 HZ3 LYS 71 5.013 -0.820 8.260 452 H ASP 72 HN ASP 72 4.400 5.356 3.157 453 HA ASP 72 HA ASP 72 1.815 6.075 2.467 454 HB2 ASP 72 HB2 ASP 72 3.347 7.544 3.695 455 HB3 ASP 72 HB1 ASP 72 4.303 7.769 2.231 456 H SER 73 HN SER 73 4.679 5.874 0.349 457 HA SER 73 HA SER 73 3.385 7.177 -1.817 458 HB2 SER 73 HB2 SER 73 5.826 5.391 -1.848 459 HB3 SER 73 HB1 SER 73 5.344 6.520 -3.114 460 HG SER 73 HG SER 73 6.378 7.027 -0.556 461 H ALA 74 HN ALA 74 3.798 3.782 -0.909 462 HA ALA 74 HA ALA 74 2.626 2.708 -3.275 463 HB1 ALA 74 HB1 ALA 74 2.635 1.518 -0.498 464 HB2 ALA 74 HB2 ALA 74 3.973 1.396 -1.646 465 HB3 ALA 74 HB3 ALA 74 2.417 0.657 -2.025 466 H ALA 75 HN ALA 75 1.432 3.584 -0.118 467 HA ALA 75 HA ALA 75 -1.263 2.983 -0.316 468 HB1 ALA 75 HB1 ALA 75 -0.073 5.379 1.074 469 HB2 ALA 75 HB2 ALA 75 -0.192 3.753 1.747 470 HB3 ALA 75 HB3 ALA 75 -1.656 4.666 1.386 471 H VAL 76 HN VAL 76 0.473 5.747 -1.689 472 HA VAL 76 HA VAL 76 -1.789 7.304 -2.374 473 HB VAL 76 HB VAL 76 0.954 7.237 -3.655 474 HG11 VAL 76 HG11 VAL 76 -0.692 8.209 -5.175 475 HG12 VAL 76 HG12 VAL 76 0.401 9.446 -4.556 476 HG13 VAL 76 HG13 VAL 76 -1.231 9.305 -3.903 477 HG21 VAL 76 HG21 VAL 76 1.375 9.236 -2.311 478 HG22 VAL 76 HG22 VAL 76 0.997 7.842 -1.296 479 HG23 VAL 76 HG23 VAL 76 -0.223 9.082 -1.581 480 H LEU 77 HN LEU 77 -0.118 4.668 -3.961 481 HA LEU 77 HA LEU 77 -1.525 4.898 -6.453 482 HB2 LEU 77 HB2 LEU 77 -0.005 2.572 -5.260 483 HB3 LEU 77 HB1 LEU 77 -0.536 2.696 -6.921 484 HG LEU 77 HG LEU 77 1.498 4.495 -5.606 485 HD11 LEU 77 HD11 LEU 77 2.335 2.230 -5.928 486 HD12 LEU 77 HD12 LEU 77 3.112 3.356 -7.040 487 HD13 LEU 77 HD13 LEU 77 1.842 2.279 -7.621 488 HD21 LEU 77 HD21 LEU 77 1.896 5.337 -7.865 489 HD22 LEU 77 HD22 LEU 77 0.236 5.640 -7.354 490 HD23 LEU 77 HD23 LEU 77 0.586 4.327 -8.477 491 H LEU 78 HN LEU 78 -1.846 3.212 -3.451 492 HA LEU 78 HA LEU 78 -3.919 1.424 -4.069 493 HB2 LEU 78 HB2 LEU 78 -2.510 1.307 -2.081 494 HB3 LEU 78 HB1 LEU 78 -3.176 2.819 -1.511 495 HG LEU 78 HG LEU 78 -5.425 1.637 -1.450 496 HD11 LEU 78 HD11 LEU 78 -3.640 -0.789 -1.590 497 HD12 LEU 78 HD12 LEU 78 -4.753 -0.269 -2.853 498 HD13 LEU 78 HD13 LEU 78 -5.377 -0.776 -1.285 499 HD21 LEU 78 HD21 LEU 78 -4.727 0.469 0.719 500 HD22 LEU 78 HD22 LEU 78 -4.404 2.197 0.577 501 HD23 LEU 78 HD23 LEU 78 -3.096 1.038 0.345 502 H LEU 79 HN LEU 79 -3.872 4.765 -3.003 503 HA LEU 79 HA LEU 79 -6.597 5.137 -2.544 504 HB2 LEU 79 HB2 LEU 79 -4.679 7.180 -3.651 505 HB3 LEU 79 HB1 LEU 79 -6.154 7.487 -2.770 506 HG LEU 79 HG LEU 79 -3.569 6.403 -1.708 507 HD11 LEU 79 HD11 LEU 79 -5.227 8.807 -0.979 508 HD12 LEU 79 HD12 LEU 79 -3.713 8.811 -1.884 509 HD13 LEU 79 HD13 LEU 79 -3.728 8.311 -0.193 510 HD21 LEU 79 HD21 LEU 79 -6.257 6.444 -0.355 511 HD22 LEU 79 HD22 LEU 79 -4.722 6.212 0.480 512 HD23 LEU 79 HD23 LEU 79 -5.257 5.035 -0.722 513 H GLU 80 HN GLU 80 -4.779 4.970 -5.509 514 HA GLU 80 HA GLU 80 -6.805 6.103 -7.180 515 HB2 GLU 80 HB2 GLU 80 -4.497 4.276 -7.876 516 HB3 GLU 80 HB1 GLU 80 -5.500 5.139 -9.040 517 HG2 GLU 80 HG2 GLU 80 -4.736 7.271 -7.988 518 HG3 GLU 80 HG1 GLU 80 -3.613 6.319 -7.017 519 H LEU 81 HN LEU 81 -5.931 2.898 -6.095 520 HA LEU 81 HA LEU 81 -7.728 1.425 -7.715 521 HB2 LEU 81 HB2 LEU 81 -5.695 0.797 -6.052 522 HB3 LEU 81 HB1 LEU 81 -7.053 0.467 -5.001 523 HG LEU 81 HG LEU 81 -6.647 -0.777 -7.710 524 HD11 LEU 81 HD11 LEU 81 -6.194 -1.931 -4.963 525 HD12 LEU 81 HD12 LEU 81 -4.930 -1.452 -6.095 526 HD13 LEU 81 HD13 LEU 81 -6.015 -2.786 -6.497 527 HD21 LEU 81 HD21 LEU 81 -8.411 -2.322 -7.007 528 HD22 LEU 81 HD22 LEU 81 -8.997 -0.660 -7.038 529 HD23 LEU 81 HD23 LEU 81 -8.599 -1.426 -5.500 530 H LEU 82 HN LEU 82 -7.843 2.687 -4.428 531 HA LEU 82 HA LEU 82 -10.497 1.914 -3.854 532 HB2 LEU 82 HB2 LEU 82 -8.368 3.533 -2.629 533 HB3 LEU 82 HB1 LEU 82 -10.000 3.966 -2.161 534 HG LEU 82 HG LEU 82 -10.406 1.861 -1.215 535 HD11 LEU 82 HD11 LEU 82 -7.865 0.892 -2.495 536 HD12 LEU 82 HD12 LEU 82 -9.512 0.410 -2.908 537 HD13 LEU 82 HD13 LEU 82 -8.833 -0.025 -1.340 538 HD21 LEU 82 HD21 LEU 82 -7.570 2.640 -0.575 539 HD22 LEU 82 HD22 LEU 82 -8.587 1.599 0.419 540 HD23 LEU 82 HD23 LEU 82 -9.027 3.289 0.176 541 H ASN 83 HN ASN 83 -9.275 4.385 -5.814 542 HA ASN 83 HA ASN 83 -11.557 6.149 -5.468 543 HB2 ASN 83 HB2 ASN 83 -9.250 6.987 -6.048 544 HB3 ASN 83 HB1 ASN 83 -9.441 6.236 -7.627 545 HD21 ASN 83 HD21 ASN 83 -9.255 8.210 -8.672 546 HD22 ASN 83 HD22 ASN 83 -10.532 9.376 -8.661 547 H LYS 84 HN LYS 84 -11.067 3.251 -6.875 548 HA LYS 84 HA LYS 84 -13.027 3.715 -9.016 549 HB2 LYS 84 HB2 LYS 84 -11.055 1.432 -8.836 550 HB3 LYS 84 HB1 LYS 84 -12.076 1.849 -10.205 551 HG2 LYS 84 HG2 LYS 84 -10.818 3.986 -10.394 552 HG3 LYS 84 HG1 LYS 84 -9.727 3.395 -9.146 553 HD2 LYS 84 HD2 LYS 84 -9.053 1.544 -10.515 554 HD3 LYS 84 HD1 LYS 84 -10.262 1.948 -11.736 555 HE2 LYS 84 HE2 LYS 84 -8.048 2.674 -12.435 556 HE3 LYS 84 HE1 LYS 84 -9.112 4.055 -12.176 557 HZ1 LYS 84 HZ1 LYS 84 -7.048 3.077 -10.282 558 HZ2 LYS 84 HZ2 LYS 84 -8.080 4.387 -10.010 559 HZ3 LYS 84 HZ3 LYS 84 -6.935 4.460 -11.250 560 H THR 85 HN THR 85 -14.010 3.469 -6.512 561 HA THR 85 HA THR 85 -14.887 0.669 -6.342 562 HB THR 85 HB THR 85 -15.112 1.072 -3.852 563 HG1 THR 85 HG1 THR 85 -13.198 3.124 -4.139 564 HG21 THR 85 HG21 THR 85 -12.343 1.184 -5.052 565 HG22 THR 85 HG22 THR 85 -13.293 -0.272 -4.760 566 HG23 THR 85 HG23 THR 85 -12.721 0.694 -3.402 Start of MODEL 2 1 H1 ASN 15 HT1 ASN 15 -5.919 6.674 6.870 2 H2 ASN 15 HT2 ASN 15 -6.181 6.010 5.335 3 H3 ASN 15 HT3 ASN 15 -4.900 5.456 6.288 4 HA ASN 15 HA ASN 15 -6.678 3.869 6.313 5 HB2 ASN 15 HB2 ASN 15 -6.965 3.651 8.726 6 HB3 ASN 15 HB1 ASN 15 -5.317 4.149 8.360 7 HD21 ASN 15 HD21 ASN 15 -6.962 4.450 10.803 8 HD22 ASN 15 HD22 ASN 15 -6.943 6.144 11.151 9 H ASP 16 HN ASP 16 -7.709 7.120 6.527 10 HA ASP 16 HA ASP 16 -10.222 6.808 7.767 11 HB2 ASP 16 HB2 ASP 16 -9.075 8.985 7.448 12 HB3 ASP 16 HB1 ASP 16 -9.382 8.874 5.721 13 H ILE 17 HN ILE 17 -9.238 6.803 4.369 14 HA ILE 17 HA ILE 17 -11.807 6.650 3.270 15 HB ILE 17 HB ILE 17 -9.155 5.764 2.141 16 HG12 ILE 17 HG12 ILE 17 -9.601 7.772 0.654 17 HG13 ILE 17 HG11 ILE 17 -10.935 8.163 1.726 18 HG21 ILE 17 HG21 ILE 17 -10.254 5.591 -0.036 19 HG22 ILE 17 HG22 ILE 17 -11.814 5.904 0.725 20 HG23 ILE 17 HG23 ILE 17 -10.923 4.432 1.113 21 HD11 ILE 17 HD11 ILE 17 -8.054 7.967 2.543 22 HD12 ILE 17 HD12 ILE 17 -9.413 8.418 3.574 23 HD13 ILE 17 HD13 ILE 17 -8.941 9.460 2.231 24 H CYS 18 HN CYS 18 -9.526 4.111 4.214 25 HA CYS 18 HA CYS 18 -11.114 1.953 3.256 26 HB2 CYS 18 HB2 CYS 18 -8.640 1.865 3.703 27 HB3 CYS 18 HB1 CYS 18 -9.002 1.896 5.424 28 HG CYS 18 HG CYS 18 -9.831 -0.598 5.681 29 H LEU 19 HN LEU 19 -10.696 3.542 6.360 30 HA LEU 19 HA LEU 19 -12.288 1.856 7.943 31 HB2 LEU 19 HB2 LEU 19 -10.706 3.639 8.696 32 HB3 LEU 19 HB1 LEU 19 -11.905 4.823 8.248 33 HG LEU 19 HG LEU 19 -13.466 3.795 9.901 34 HD11 LEU 19 HD11 LEU 19 -12.524 2.315 11.613 35 HD12 LEU 19 HD12 LEU 19 -11.013 2.239 10.706 36 HD13 LEU 19 HD13 LEU 19 -12.491 1.574 10.015 37 HD21 LEU 19 HD21 LEU 19 -12.159 5.789 10.429 38 HD22 LEU 19 HD22 LEU 19 -10.832 4.776 10.992 39 HD23 LEU 19 HD23 LEU 19 -12.371 4.769 11.852 40 H ARG 20 HN ARG 20 -13.009 4.846 6.226 41 HA ARG 20 HA ARG 20 -15.679 5.124 7.046 42 HB2 ARG 20 HB2 ARG 20 -14.096 6.847 6.041 43 HB3 ARG 20 HB1 ARG 20 -14.491 6.158 4.477 44 HG2 ARG 20 HG2 ARG 20 -16.760 6.821 4.663 45 HG3 ARG 20 HG1 ARG 20 -16.549 7.263 6.358 46 HD2 ARG 20 HD2 ARG 20 -15.264 8.604 3.982 47 HD3 ARG 20 HD1 ARG 20 -16.566 9.257 4.975 48 HE ARG 20 HE ARG 20 -13.751 8.934 5.780 49 HH11 ARG 20 HH11 ARG 20 -16.965 10.170 6.438 50 HH12 ARG 20 HH12 ARG 20 -16.448 11.166 7.757 51 HH21 ARG 20 HH21 ARG 20 -13.070 10.235 7.525 52 HH22 ARG 20 HH22 ARG 20 -14.239 11.198 8.383 53 H LYS 21 HN LYS 21 -14.216 3.382 4.381 54 HA LYS 21 HA LYS 21 -16.648 2.830 2.991 55 HB2 LYS 21 HB2 LYS 21 -13.856 1.749 2.865 56 HB3 LYS 21 HB1 LYS 21 -15.153 1.005 1.935 57 HG2 LYS 21 HG2 LYS 21 -14.319 3.892 1.767 58 HG3 LYS 21 HG1 LYS 21 -13.873 2.627 0.623 59 HD2 LYS 21 HD2 LYS 21 -16.739 3.209 1.250 60 HD3 LYS 21 HD1 LYS 21 -15.868 4.147 0.053 61 HE2 LYS 21 HE2 LYS 21 -15.357 2.093 -1.172 62 HE3 LYS 21 HE1 LYS 21 -16.224 1.156 0.040 63 HZ1 LYS 21 HZ1 LYS 21 -17.558 1.585 -1.944 64 HZ2 LYS 21 HZ2 LYS 21 -17.439 3.250 -1.682 65 HZ3 LYS 21 HZ3 LYS 21 -18.253 2.274 -0.567 66 H ASN 22 HN ASN 22 -15.766 1.933 5.926 67 HA ASN 22 HA ASN 22 -16.454 0.394 7.428 68 HB2 ASN 22 HB2 ASN 22 -18.655 0.658 6.255 69 HB3 ASN 22 HB1 ASN 22 -18.224 -0.712 5.243 70 HD21 ASN 22 HD21 ASN 22 -17.463 -0.449 8.665 71 HD22 ASN 22 HD22 ASN 22 -18.508 -1.726 9.177 72 H TRP 23 HN TRP 23 -14.249 -0.024 5.547 73 HA TRP 23 HA TRP 23 -14.073 -2.937 5.436 74 HB2 TRP 23 HB2 TRP 23 -12.140 -0.786 4.533 75 HB3 TRP 23 HB1 TRP 23 -11.892 -2.511 4.321 76 HD1 TRP 23 HD1 TRP 23 -15.094 -2.907 3.353 77 HE1 TRP 23 HE1 TRP 23 -15.592 -2.307 0.887 78 HE3 TRP 23 HE3 TRP 23 -11.049 0.053 2.426 79 HZ2 TRP 23 HZ2 TRP 23 -14.370 -0.785 -1.184 80 HZ3 TRP 23 HZ3 TRP 23 -10.781 1.039 0.200 81 HH2 TRP 23 HH2 TRP 23 -12.406 0.629 -1.568 82 HA PRO 24 HA PRO 24 -11.477 -3.110 9.087 83 HB2 PRO 24 HB2 PRO 24 -9.748 -5.084 8.437 84 HB3 PRO 24 HB1 PRO 24 -11.429 -5.395 8.878 85 HG2 PRO 24 HG2 PRO 24 -10.177 -5.251 6.169 86 HG3 PRO 24 HG1 PRO 24 -11.373 -6.402 6.788 87 HD2 PRO 24 HD2 PRO 24 -12.033 -4.295 5.211 88 HD3 PRO 24 HD1 PRO 24 -13.130 -4.953 6.440 89 H MET 25 HN MET 25 -8.837 -3.488 9.419 90 HA MET 25 HA MET 25 -7.694 -1.138 8.244 91 HB2 MET 25 HB2 MET 25 -6.489 -3.235 10.048 92 HB3 MET 25 HB1 MET 25 -5.727 -1.710 9.620 93 HG2 MET 25 HG2 MET 25 -8.416 -1.744 10.909 94 HG3 MET 25 HG1 MET 25 -6.964 -1.947 11.874 95 HE1 MET 25 HE1 MET 25 -8.521 1.873 9.895 96 HE2 MET 25 HE2 MET 25 -9.267 0.274 9.900 97 HE3 MET 25 HE3 MET 25 -7.947 0.635 8.788 98 HA PRO 26 HA PRO 26 -5.849 -3.148 4.730 99 HB2 PRO 26 HB2 PRO 26 -3.952 -0.917 4.696 100 HB3 PRO 26 HB1 PRO 26 -5.147 -1.384 3.488 101 HG2 PRO 26 HG2 PRO 26 -5.425 0.829 5.004 102 HG3 PRO 26 HG1 PRO 26 -6.812 -0.125 4.452 103 HD2 PRO 26 HD2 PRO 26 -5.503 -0.062 7.139 104 HD3 PRO 26 HD1 PRO 26 -7.224 -0.185 6.720 105 H SER 27 HN SER 27 -3.898 -4.136 4.134 106 HA SER 27 HA SER 27 -2.157 -4.757 6.384 107 HB2 SER 27 HB2 SER 27 -3.130 -6.518 4.862 108 HB3 SER 27 HB1 SER 27 -2.091 -5.892 3.588 109 HG SER 27 HG SER 27 -1.142 -6.824 6.097 110 H TYR 28 HN TYR 28 0.083 -4.414 6.415 111 HA TYR 28 HA TYR 28 1.245 -2.864 4.263 112 HB2 TYR 28 HB2 TYR 28 0.943 -1.890 7.097 113 HB3 TYR 28 HB1 TYR 28 2.238 -1.312 6.062 114 HD1 TYR 28 HD2 TYR 28 -1.372 -1.239 6.687 115 HD2 TYR 28 HD1 TYR 28 1.771 0.163 4.184 116 HE1 TYR 28 HE2 TYR 28 -2.860 0.505 5.795 117 HE2 TYR 28 HE1 TYR 28 0.308 1.919 3.306 118 HH TYR 28 HH TYR 28 -2.080 2.348 3.037 119 H ARG 29 HN ARG 29 3.051 -4.053 3.799 120 HA ARG 29 HA ARG 29 4.988 -4.605 5.799 121 HB2 ARG 29 HB2 ARG 29 3.461 -6.477 6.237 122 HB3 ARG 29 HB1 ARG 29 3.558 -6.946 4.549 123 HG2 ARG 29 HG2 ARG 29 5.778 -7.660 4.755 124 HG3 ARG 29 HG1 ARG 29 5.993 -6.817 6.289 125 HD2 ARG 29 HD2 ARG 29 4.188 -9.184 5.819 126 HD3 ARG 29 HD1 ARG 29 5.764 -9.236 6.608 127 HE ARG 29 HE ARG 29 4.117 -7.358 7.911 128 HH11 ARG 29 HH11 ARG 29 4.472 -10.818 7.523 129 HH12 ARG 29 HH12 ARG 29 3.740 -11.188 9.050 130 HH21 ARG 29 HH21 ARG 29 3.156 -7.836 9.908 131 HH22 ARG 29 HH22 ARG 29 2.991 -9.487 10.411 132 H CYS 30 HN CYS 30 6.878 -4.340 4.813 133 HA CYS 30 HA CYS 30 7.042 -3.801 2.072 134 HB2 CYS 30 HB2 CYS 30 9.246 -4.391 4.050 135 HB3 CYS 30 HB1 CYS 30 9.493 -3.715 2.443 136 HG CYS 30 HG CYS 30 9.395 -1.979 4.976 137 H VAL 31 HN VAL 31 7.474 -4.955 0.343 138 HA VAL 31 HA VAL 31 7.585 -7.830 0.587 139 HB VAL 31 HB VAL 31 7.471 -7.843 -1.867 140 HG11 VAL 31 HG11 VAL 31 5.210 -6.890 -2.064 141 HG12 VAL 31 HG12 VAL 31 5.449 -6.068 -0.523 142 HG13 VAL 31 HG13 VAL 31 5.418 -7.830 -0.586 143 HG21 VAL 31 HG21 VAL 31 7.397 -4.842 -1.645 144 HG22 VAL 31 HG22 VAL 31 7.105 -5.775 -3.115 145 HG23 VAL 31 HG23 VAL 31 8.696 -5.800 -2.353 146 H LYS 32 HN LYS 32 9.674 -5.186 -0.304 147 HA LYS 32 HA LYS 32 11.926 -7.048 -0.130 148 HB2 LYS 32 HB2 LYS 32 11.538 -6.431 -2.519 149 HB3 LYS 32 HB1 LYS 32 11.769 -4.747 -2.071 150 HG2 LYS 32 HG2 LYS 32 14.033 -5.216 -1.348 151 HG3 LYS 32 HG1 LYS 32 13.821 -6.919 -1.746 152 HD2 LYS 32 HD2 LYS 32 13.490 -6.323 -4.096 153 HD3 LYS 32 HD1 LYS 32 13.707 -4.619 -3.690 154 HE2 LYS 32 HE2 LYS 32 15.758 -5.629 -4.600 155 HE3 LYS 32 HE1 LYS 32 15.969 -5.047 -2.949 156 HZ1 LYS 32 HZ1 LYS 32 16.968 -7.230 -3.283 157 HZ2 LYS 32 HZ2 LYS 32 15.464 -7.872 -3.715 158 HZ3 LYS 32 HZ3 LYS 32 15.722 -7.300 -2.145 159 H GLU 33 HN GLU 33 13.284 -6.467 1.371 160 HA GLU 33 HA GLU 33 13.882 -3.677 1.911 161 HB2 GLU 33 HB2 GLU 33 11.893 -4.427 3.349 162 HB3 GLU 33 HB1 GLU 33 13.019 -5.489 4.172 163 HG2 GLU 33 HG2 GLU 33 13.402 -2.516 3.994 164 HG3 GLU 33 HG1 GLU 33 12.511 -3.297 5.294 165 H GLY 34 HN GLY 34 15.983 -3.433 2.596 166 HA2 GLY 34 HA2 GLY 34 17.958 -4.000 3.676 167 HA3 GLY 34 HA1 GLY 34 17.324 -5.616 3.936 168 H GLY 35 HN GLY 35 19.799 -5.667 3.344 169 HA2 GLY 35 HA2 GLY 35 20.414 -7.253 1.343 170 HA3 GLY 35 HA1 GLY 35 20.232 -5.741 0.457 171 HA PRO 36 HA PRO 36 24.695 -5.929 1.745 172 HB2 PRO 36 HB2 PRO 36 24.839 -4.264 -0.711 173 HB3 PRO 36 HB1 PRO 36 25.846 -5.627 -0.222 174 HG2 PRO 36 HG2 PRO 36 24.037 -5.903 -2.152 175 HG3 PRO 36 HG1 PRO 36 24.319 -7.200 -0.976 176 HD2 PRO 36 HD2 PRO 36 22.093 -5.206 -1.103 177 HD3 PRO 36 HD1 PRO 36 22.036 -6.933 -0.692 178 H ALA 37 HN ALA 37 23.815 -3.043 -0.083 179 HA ALA 37 HA ALA 37 23.313 -1.419 2.210 180 HB1 ALA 37 HB1 ALA 37 25.211 0.070 2.030 181 HB2 ALA 37 HB2 ALA 37 25.876 -0.887 0.709 182 HB3 ALA 37 HB3 ALA 37 25.776 -1.572 2.330 183 H HIS 38 HN HIS 38 24.283 -1.528 -1.184 184 HA HIS 38 HA HIS 38 22.983 0.897 -1.911 185 HB2 HIS 38 HB2 HIS 38 23.407 0.253 -4.211 186 HB3 HIS 38 HB1 HIS 38 24.829 -0.103 -3.241 187 HD1 HIS 38 HD1 HIS 38 25.571 -2.545 -3.090 188 HD2 HIS 38 HD2 HIS 38 22.023 -2.024 -5.195 189 HE1 HIS 38 HE1 HIS 38 25.079 -4.771 -4.141 190 HE2 HIS 38 HE2 HIS 38 22.904 -4.451 -5.373 191 H ALA 39 HN ALA 39 21.699 -1.935 -0.888 192 HA ALA 39 HA ALA 39 19.295 -1.664 -2.560 193 HB1 ALA 39 HB1 ALA 39 18.826 -4.005 -2.107 194 HB2 ALA 39 HB2 ALA 39 20.254 -4.108 -1.077 195 HB3 ALA 39 HB3 ALA 39 20.434 -3.824 -2.808 196 H LYS 40 HN LYS 40 19.933 -0.102 -0.180 197 HA LYS 40 HA LYS 40 18.033 -1.124 1.776 198 HB2 LYS 40 HB2 LYS 40 20.347 0.216 2.167 199 HB3 LYS 40 HB1 LYS 40 19.202 1.550 2.173 200 HG2 LYS 40 HG2 LYS 40 19.609 0.735 4.426 201 HG3 LYS 40 HG1 LYS 40 17.928 0.491 3.949 202 HD2 LYS 40 HD2 LYS 40 18.331 -1.843 3.529 203 HD3 LYS 40 HD1 LYS 40 20.064 -1.633 3.781 204 HE2 LYS 40 HE2 LYS 40 19.095 -2.635 5.739 205 HE3 LYS 40 HE1 LYS 40 19.601 -0.993 6.122 206 HZ1 LYS 40 HZ1 LYS 40 17.296 -0.280 5.866 207 HZ2 LYS 40 HZ2 LYS 40 17.447 -1.464 7.057 208 HZ3 LYS 40 HZ3 LYS 40 16.821 -1.875 5.538 209 H ARG 41 HN ARG 41 17.571 0.047 -0.998 210 HA ARG 41 HA ARG 41 15.562 2.053 -0.381 211 HB2 ARG 41 HB2 ARG 41 15.873 0.527 -2.976 212 HB3 ARG 41 HB1 ARG 41 15.023 2.041 -2.724 213 HG2 ARG 41 HG2 ARG 41 17.994 1.707 -2.401 214 HG3 ARG 41 HG1 ARG 41 17.206 2.288 -3.868 215 HD2 ARG 41 HD2 ARG 41 16.320 4.194 -2.693 216 HD3 ARG 41 HD1 ARG 41 16.931 3.579 -1.158 217 HE ARG 41 HE ARG 41 19.205 3.803 -2.336 218 HH11 ARG 41 HH11 ARG 41 16.489 5.950 -2.895 219 HH12 ARG 41 HH12 ARG 41 17.489 7.324 -3.233 220 HH21 ARG 41 HH21 ARG 41 20.517 5.617 -2.777 221 HH22 ARG 41 HH22 ARG 41 19.775 7.137 -3.155 222 H PHE 42 HN PHE 42 13.367 1.617 -0.251 223 HA PHE 42 HA PHE 42 12.860 -1.229 0.279 224 HB2 PHE 42 HB2 PHE 42 11.356 1.091 1.488 225 HB3 PHE 42 HB1 PHE 42 11.377 -0.585 2.028 226 HD1 PHE 42 HD1 PHE 42 14.084 -1.341 2.286 227 HD2 PHE 42 HD2 PHE 42 12.339 2.471 3.014 228 HE1 PHE 42 HE1 PHE 42 15.928 -0.791 3.826 229 HE2 PHE 42 HE2 PHE 42 14.166 3.019 4.557 230 HZ PHE 42 HZ PHE 42 15.963 1.388 4.968 231 H THR 43 HN THR 43 11.222 -2.224 -0.615 232 HA THR 43 HA THR 43 9.336 -0.672 -2.259 233 HB THR 43 HB THR 43 10.401 -3.439 -2.906 234 HG1 THR 43 HG1 THR 43 11.613 -1.075 -3.167 235 HG21 THR 43 HG21 THR 43 9.434 -2.997 -5.120 236 HG22 THR 43 HG22 THR 43 8.842 -1.436 -4.551 237 HG23 THR 43 HG23 THR 43 8.204 -2.926 -3.858 238 H PHE 44 HN PHE 44 7.165 -1.138 -1.776 239 HA PHE 44 HA PHE 44 6.669 -3.449 -0.087 240 HB2 PHE 44 HB2 PHE 44 6.819 -2.045 1.706 241 HB3 PHE 44 HB1 PHE 44 6.682 -0.607 0.707 242 HD1 PHE 44 HD2 PHE 44 4.701 -3.359 2.165 243 HD2 PHE 44 HD1 PHE 44 4.731 0.638 0.733 244 HE1 PHE 44 HE2 PHE 44 2.422 -3.039 3.007 245 HE2 PHE 44 HE1 PHE 44 2.455 0.962 1.594 246 HZ PHE 44 HZ PHE 44 1.248 -0.862 2.573 247 H GLY 45 HN GLY 45 4.376 -3.998 0.003 248 HA2 GLY 45 HA2 GLY 45 2.773 -2.717 -2.116 249 HA3 GLY 45 HA1 GLY 45 2.853 -4.465 -1.940 250 H VAL 46 HN VAL 46 0.662 -2.345 -1.638 251 HA VAL 46 HA VAL 46 -0.164 -2.909 1.146 252 HB VAL 46 HB VAL 46 -1.727 -1.008 -0.512 253 HG11 VAL 46 HG11 VAL 46 -1.803 0.225 1.640 254 HG12 VAL 46 HG12 VAL 46 -0.829 -1.058 2.356 255 HG13 VAL 46 HG13 VAL 46 -2.433 -1.419 1.721 256 HG21 VAL 46 HG21 VAL 46 0.480 -0.301 -1.134 257 HG22 VAL 46 HG22 VAL 46 0.985 -0.273 0.553 258 HG23 VAL 46 HG23 VAL 46 -0.226 0.872 -0.024 259 H ARG 47 HN ARG 47 -2.384 -3.627 1.482 260 HA ARG 47 HA ARG 47 -3.951 -4.105 -0.892 261 HB2 ARG 47 HB2 ARG 47 -4.563 -6.401 0.087 262 HB3 ARG 47 HB1 ARG 47 -3.013 -6.268 -0.735 263 HG2 ARG 47 HG2 ARG 47 -2.029 -5.899 1.573 264 HG3 ARG 47 HG1 ARG 47 -3.580 -6.447 2.197 265 HD2 ARG 47 HD2 ARG 47 -3.338 -8.536 0.944 266 HD3 ARG 47 HD1 ARG 47 -1.773 -7.989 0.342 267 HE ARG 47 HE ARG 47 -2.162 -8.197 3.235 268 HH11 ARG 47 HH11 ARG 47 -0.660 -9.403 0.307 269 HH12 ARG 47 HH12 ARG 47 0.443 -10.432 1.156 270 HH21 ARG 47 HH21 ARG 47 -0.705 -9.551 4.347 271 HH22 ARG 47 HH22 ARG 47 0.426 -10.511 3.451 272 H VAL 48 HN VAL 48 -6.119 -4.059 -0.481 273 HA VAL 48 HA VAL 48 -6.920 -3.448 2.297 274 HB VAL 48 HB VAL 48 -7.886 -2.168 -0.258 275 HG11 VAL 48 HG11 VAL 48 -9.380 -0.825 1.144 276 HG12 VAL 48 HG12 VAL 48 -8.919 -1.797 2.543 277 HG13 VAL 48 HG13 VAL 48 -9.785 -2.541 1.198 278 HG21 VAL 48 HG21 VAL 48 -7.061 -0.108 0.696 279 HG22 VAL 48 HG22 VAL 48 -5.766 -1.305 0.647 280 HG23 VAL 48 HG23 VAL 48 -6.586 -0.954 2.167 281 H ASN 49 HN ASN 49 -9.056 -4.150 2.882 282 HA ASN 49 HA ASN 49 -9.853 -6.497 1.351 283 HB2 ASN 49 HB2 ASN 49 -9.525 -6.696 3.818 284 HB3 ASN 49 HB1 ASN 49 -10.866 -5.579 4.046 285 HD21 ASN 49 HD21 ASN 49 -9.937 -8.773 3.043 286 HD22 ASN 49 HD22 ASN 49 -11.523 -9.458 3.064 287 H THR 50 HN THR 50 -10.737 -5.436 -0.328 288 HA THR 50 HA THR 50 -12.891 -3.539 -0.026 289 HB THR 50 HB THR 50 -13.305 -3.822 -2.468 290 HG1 THR 50 HG1 THR 50 -11.276 -5.794 -2.159 291 HG21 THR 50 HG21 THR 50 -11.184 -2.822 -3.193 292 HG22 THR 50 HG22 THR 50 -10.439 -3.319 -1.675 293 HG23 THR 50 HG23 THR 50 -11.748 -2.137 -1.668 294 H SER 51 HN SER 51 -14.729 -3.996 0.714 295 HA SER 51 HA SER 51 -15.555 -6.460 1.536 296 HB2 SER 51 HB2 SER 51 -17.753 -5.344 1.900 297 HB3 SER 51 HB1 SER 51 -16.364 -4.412 2.465 298 HG SER 51 HG SER 51 -18.200 -3.790 0.561 299 H ASP 52 HN ASP 52 -15.972 -5.169 -1.667 300 HA ASP 52 HA ASP 52 -18.129 -7.023 -2.264 301 HB2 ASP 52 HB2 ASP 52 -18.389 -5.883 -4.319 302 HB3 ASP 52 HB1 ASP 52 -18.086 -4.645 -3.108 303 H ARG 53 HN ARG 53 -14.698 -7.051 -2.442 304 HA ARG 53 HA ARG 53 -14.841 -9.387 -4.214 305 HB2 ARG 53 HB2 ARG 53 -13.065 -6.988 -4.572 306 HB3 ARG 53 HB1 ARG 53 -12.617 -8.559 -5.218 307 HG2 ARG 53 HG2 ARG 53 -14.693 -8.598 -6.526 308 HG3 ARG 53 HG1 ARG 53 -15.104 -7.003 -5.894 309 HD2 ARG 53 HD2 ARG 53 -13.196 -6.022 -6.961 310 HD3 ARG 53 HD1 ARG 53 -12.589 -7.605 -7.440 311 HE ARG 53 HE ARG 53 -14.960 -7.571 -8.657 312 HH11 ARG 53 HH11 ARG 53 -12.473 -5.116 -8.487 313 HH12 ARG 53 HH12 ARG 53 -12.827 -4.470 -10.057 314 HH21 ARG 53 HH21 ARG 53 -15.419 -6.722 -10.739 315 HH22 ARG 53 HH22 ARG 53 -14.489 -5.382 -11.333 316 H GLY 54 HN GLY 54 -12.945 -7.541 -1.882 317 HA2 GLY 54 HA2 GLY 54 -12.174 -8.887 0.046 318 HA3 GLY 54 HA1 GLY 54 -11.586 -10.036 -1.134 319 H TRP 55 HN TRP 55 -9.529 -9.886 -0.189 320 HA TRP 55 HA TRP 55 -8.033 -7.550 0.082 321 HB2 TRP 55 HB2 TRP 55 -7.323 -10.432 -0.253 322 HB3 TRP 55 HB1 TRP 55 -6.049 -9.224 -0.356 323 HD1 TRP 55 HD1 TRP 55 -7.527 -11.399 2.111 324 HE1 TRP 55 HE1 TRP 55 -7.149 -10.533 4.507 325 HE3 TRP 55 HE3 TRP 55 -6.133 -6.614 1.033 326 HZ2 TRP 55 HZ2 TRP 55 -6.349 -8.122 5.746 327 HZ3 TRP 55 HZ3 TRP 55 -5.584 -5.095 2.872 328 HH2 TRP 55 HH2 TRP 55 -5.693 -5.831 5.191 329 H THR 56 HN THR 56 -7.235 -6.185 -1.280 330 HA THR 56 HA THR 56 -7.520 -6.517 -4.104 331 HB THR 56 HB THR 56 -6.424 -4.294 -4.233 332 HG1 THR 56 HG1 THR 56 -5.071 -4.077 -2.572 333 HG21 THR 56 HG21 THR 56 -8.183 -3.041 -3.073 334 HG22 THR 56 HG22 THR 56 -8.616 -4.491 -2.168 335 HG23 THR 56 HG23 THR 56 -8.844 -4.441 -3.916 336 H ASP 57 HN ASP 57 -5.873 -6.555 -5.662 337 HA ASP 57 HA ASP 57 -3.515 -7.981 -5.069 338 HB2 ASP 57 HB2 ASP 57 -2.763 -7.353 -7.340 339 HB3 ASP 57 HB1 ASP 57 -4.413 -7.959 -7.332 340 H GLU 58 HN GLU 58 -1.596 -7.367 -4.380 341 HA GLU 58 HA GLU 58 -1.306 -5.103 -2.896 342 HB2 GLU 58 HB2 GLU 58 0.561 -7.118 -3.926 343 HB3 GLU 58 HB1 GLU 58 1.279 -5.609 -3.414 344 HG2 GLU 58 HG2 GLU 58 1.357 -6.763 -1.464 345 HG3 GLU 58 HG1 GLU 58 -0.216 -5.977 -1.305 346 H CYS 59 HN CYS 59 -1.021 -3.125 -3.233 347 HA CYS 59 HA CYS 59 -0.208 -2.091 -5.825 348 HB2 CYS 59 HB2 CYS 59 -0.916 -0.595 -3.287 349 HB3 CYS 59 HB1 CYS 59 -0.754 0.100 -4.897 350 HG CYS 59 HG CYS 59 -2.920 -2.208 -5.315 351 H ILE 60 HN ILE 60 1.923 -2.337 -6.138 352 HA ILE 60 HA ILE 60 3.797 -2.104 -3.959 353 HB ILE 60 HB ILE 60 4.212 -2.602 -6.910 354 HG12 ILE 60 HG12 ILE 60 2.961 -4.367 -5.663 355 HG13 ILE 60 HG11 ILE 60 4.488 -4.916 -6.346 356 HG21 ILE 60 HG21 ILE 60 6.466 -3.303 -6.310 357 HG22 ILE 60 HG22 ILE 60 6.163 -2.825 -4.640 358 HG23 ILE 60 HG23 ILE 60 6.179 -1.609 -5.916 359 HD11 ILE 60 HD11 ILE 60 4.132 -5.780 -4.105 360 HD12 ILE 60 HD12 ILE 60 4.031 -4.130 -3.489 361 HD13 ILE 60 HD13 ILE 60 5.539 -4.721 -4.178 362 H GLY 61 HN GLY 61 4.766 -0.293 -3.386 363 HA2 GLY 61 HA2 GLY 61 4.496 2.100 -4.996 364 HA3 GLY 61 HA1 GLY 61 5.214 1.990 -3.394 365 H GLU 62 HN GLU 62 6.675 3.540 -4.697 366 HA GLU 62 HA GLU 62 8.563 2.189 -6.430 367 HB2 GLU 62 HB2 GLU 62 9.550 4.403 -6.738 368 HB3 GLU 62 HB1 GLU 62 7.816 4.426 -7.039 369 HG2 GLU 62 HG2 GLU 62 7.411 5.373 -4.880 370 HG3 GLU 62 HG1 GLU 62 9.118 5.237 -4.475 371 HA PRO 63 HA PRO 63 11.686 1.217 -3.428 372 HB2 PRO 63 HB2 PRO 63 13.543 2.543 -5.350 373 HB3 PRO 63 HB1 PRO 63 13.654 0.945 -4.603 374 HG2 PRO 63 HG2 PRO 63 12.922 1.209 -7.151 375 HG3 PRO 63 HG1 PRO 63 12.162 -0.004 -6.105 376 HD2 PRO 63 HD2 PRO 63 11.091 2.606 -7.067 377 HD3 PRO 63 HD1 PRO 63 10.244 1.079 -6.757 378 H MET 64 HN MET 64 11.598 2.472 -1.647 379 HA MET 64 HA MET 64 12.223 5.332 -1.922 380 HB2 MET 64 HB2 MET 64 10.405 3.800 -0.092 381 HB3 MET 64 HB1 MET 64 11.013 5.380 0.383 382 HG2 MET 64 HG2 MET 64 9.467 4.812 -2.135 383 HG3 MET 64 HG1 MET 64 8.785 5.470 -0.648 384 HE1 MET 64 HE1 MET 64 7.830 7.677 -1.694 385 HE2 MET 64 HE2 MET 64 8.254 6.971 -3.254 386 HE3 MET 64 HE3 MET 64 8.708 8.635 -2.886 387 HA PRO 65 HA PRO 65 15.712 4.577 0.703 388 HB2 PRO 65 HB2 PRO 65 16.458 7.096 1.180 389 HB3 PRO 65 HB1 PRO 65 16.557 6.405 -0.446 390 HG2 PRO 65 HG2 PRO 65 14.493 8.233 0.715 391 HG3 PRO 65 HG1 PRO 65 15.246 8.271 -0.889 392 HD2 PRO 65 HD2 PRO 65 12.763 7.189 -0.349 393 HD3 PRO 65 HD1 PRO 65 13.773 6.747 -1.738 394 H SER 66 HN SER 66 12.769 5.369 1.881 395 HA SER 66 HA SER 66 13.679 5.162 4.613 396 HB2 SER 66 HB2 SER 66 11.936 7.476 3.715 397 HB3 SER 66 HB1 SER 66 12.403 7.117 5.373 398 HG SER 66 HG SER 66 14.642 7.225 4.059 399 H VAL 67 HN VAL 67 12.160 4.152 5.906 400 HA VAL 67 HA VAL 67 10.299 2.539 4.481 401 HB VAL 67 HB VAL 67 9.659 1.657 6.737 402 HG11 VAL 67 HG11 VAL 67 12.603 1.756 6.111 403 HG12 VAL 67 HG12 VAL 67 11.430 0.622 5.441 404 HG13 VAL 67 HG13 VAL 67 11.817 0.578 7.161 405 HG21 VAL 67 HG21 VAL 67 10.076 3.711 8.022 406 HG22 VAL 67 HG22 VAL 67 11.805 3.536 7.716 407 HG23 VAL 67 HG23 VAL 67 10.954 2.329 8.679 408 H LYS 68 HN LYS 68 9.985 5.522 6.232 409 HA LYS 68 HA LYS 68 7.186 5.276 6.746 410 HB2 LYS 68 HB2 LYS 68 8.990 7.698 6.706 411 HB3 LYS 68 HB1 LYS 68 7.304 7.732 7.203 412 HG2 LYS 68 HG2 LYS 68 7.847 6.106 8.988 413 HG3 LYS 68 HG1 LYS 68 9.546 6.226 8.527 414 HD2 LYS 68 HD2 LYS 68 9.487 8.639 8.987 415 HD3 LYS 68 HD1 LYS 68 7.800 8.492 9.481 416 HE2 LYS 68 HE2 LYS 68 10.168 7.163 10.788 417 HE3 LYS 68 HE1 LYS 68 9.265 8.537 11.420 418 HZ1 LYS 68 HZ1 LYS 68 8.576 6.491 12.474 419 HZ2 LYS 68 HZ2 LYS 68 8.187 5.808 10.979 420 HZ3 LYS 68 HZ3 LYS 68 7.302 7.124 11.560 421 H LYS 69 HN LYS 69 9.111 6.782 4.186 422 HA LYS 69 HA LYS 69 6.736 7.792 2.903 423 HB2 LYS 69 HB2 LYS 69 8.191 8.715 1.208 424 HB3 LYS 69 HB1 LYS 69 8.793 9.118 2.808 425 HG2 LYS 69 HG2 LYS 69 10.285 7.020 2.467 426 HG3 LYS 69 HG1 LYS 69 9.923 7.281 0.759 427 HD2 LYS 69 HD2 LYS 69 11.227 9.224 2.668 428 HD3 LYS 69 HD1 LYS 69 11.975 8.428 1.286 429 HE2 LYS 69 HE2 LYS 69 9.597 10.226 0.950 430 HE3 LYS 69 HE1 LYS 69 11.226 10.882 1.049 431 HZ1 LYS 69 HZ1 LYS 69 11.856 9.650 -0.881 432 HZ2 LYS 69 HZ2 LYS 69 10.446 10.506 -1.242 433 HZ3 LYS 69 HZ3 LYS 69 10.370 8.846 -0.933 434 H ALA 70 HN ALA 70 8.610 4.933 2.858 435 HA ALA 70 HA ALA 70 8.049 3.898 0.348 436 HB1 ALA 70 HB1 ALA 70 9.578 2.845 1.952 437 HB2 ALA 70 HB2 ALA 70 8.383 1.700 1.340 438 HB3 ALA 70 HB3 ALA 70 8.201 2.386 2.955 439 H LYS 71 HN LYS 71 6.217 3.125 3.333 440 HA LYS 71 HA LYS 71 4.072 1.956 2.100 441 HB2 LYS 71 HB2 LYS 71 2.812 2.440 4.164 442 HB3 LYS 71 HB1 LYS 71 4.374 1.705 4.454 443 HG2 LYS 71 HG2 LYS 71 4.585 3.322 5.982 444 HG3 LYS 71 HG1 LYS 71 4.997 4.301 4.576 445 HD2 LYS 71 HD2 LYS 71 3.385 5.520 5.855 446 HD3 LYS 71 HD1 LYS 71 2.596 4.945 4.389 447 HE2 LYS 71 HE2 LYS 71 1.092 4.599 6.208 448 HE3 LYS 71 HE1 LYS 71 1.704 3.024 5.717 449 HZ1 LYS 71 HZ1 LYS 71 1.663 3.263 8.120 450 HZ2 LYS 71 HZ2 LYS 71 2.684 4.607 8.030 451 HZ3 LYS 71 HZ3 LYS 71 3.250 3.084 7.567 452 H ASP 72 HN ASP 72 4.516 5.336 2.962 453 HA ASP 72 HA ASP 72 2.128 6.413 2.166 454 HB2 ASP 72 HB2 ASP 72 3.871 7.709 3.255 455 HB3 ASP 72 HB1 ASP 72 4.894 7.578 1.829 456 H SER 73 HN SER 73 4.949 5.754 0.061 457 HA SER 73 HA SER 73 3.850 6.847 -2.276 458 HB2 SER 73 HB2 SER 73 6.229 6.381 -2.065 459 HB3 SER 73 HB1 SER 73 5.907 4.655 -1.909 460 HG SER 73 HG SER 73 5.312 6.252 -4.186 461 H ALA 74 HN ALA 74 3.772 3.550 -0.974 462 HA ALA 74 HA ALA 74 2.474 2.441 -3.260 463 HB1 ALA 74 HB1 ALA 74 2.198 0.465 -1.912 464 HB2 ALA 74 HB2 ALA 74 2.540 1.374 -0.438 465 HB3 ALA 74 HB3 ALA 74 3.810 1.126 -1.639 466 H ALA 75 HN ALA 75 1.410 3.631 -0.142 467 HA ALA 75 HA ALA 75 -1.307 3.102 -0.265 468 HB1 ALA 75 HB1 ALA 75 0.023 5.498 0.988 469 HB2 ALA 75 HB2 ALA 75 -0.188 3.918 1.744 470 HB3 ALA 75 HB3 ALA 75 -1.598 4.902 1.346 471 H VAL 76 HN VAL 76 0.492 5.788 -1.769 472 HA VAL 76 HA VAL 76 -1.853 7.268 -2.418 473 HB VAL 76 HB VAL 76 0.591 8.106 -2.264 474 HG11 VAL 76 HG11 VAL 76 1.541 6.650 -3.930 475 HG12 VAL 76 HG12 VAL 76 1.699 8.336 -4.425 476 HG13 VAL 76 HG13 VAL 76 0.459 7.312 -5.151 477 HG21 VAL 76 HG21 VAL 76 0.053 9.998 -3.722 478 HG22 VAL 76 HG22 VAL 76 -1.320 9.533 -2.719 479 HG23 VAL 76 HG23 VAL 76 -1.274 9.072 -4.421 480 H LEU 77 HN LEU 77 -0.072 4.726 -3.940 481 HA LEU 77 HA LEU 77 -1.449 4.882 -6.460 482 HB2 LEU 77 HB2 LEU 77 0.080 2.579 -5.238 483 HB3 LEU 77 HB1 LEU 77 -0.374 2.747 -6.918 484 HG LEU 77 HG LEU 77 1.554 4.554 -5.467 485 HD11 LEU 77 HD11 LEU 77 2.069 2.370 -7.474 486 HD12 LEU 77 HD12 LEU 77 2.446 2.304 -5.753 487 HD13 LEU 77 HD13 LEU 77 3.276 3.461 -6.794 488 HD21 LEU 77 HD21 LEU 77 0.392 5.697 -7.269 489 HD22 LEU 77 HD22 LEU 77 0.795 4.389 -8.380 490 HD23 LEU 77 HD23 LEU 77 2.074 5.400 -7.708 491 H LEU 78 HN LEU 78 -1.779 3.236 -3.422 492 HA LEU 78 HA LEU 78 -3.888 1.480 -4.061 493 HB2 LEU 78 HB2 LEU 78 -2.560 1.203 -2.082 494 HB3 LEU 78 HB1 LEU 78 -3.015 2.789 -1.503 495 HG LEU 78 HG LEU 78 -5.392 1.914 -1.370 496 HD11 LEU 78 HD11 LEU 78 -5.054 -0.047 -2.810 497 HD12 LEU 78 HD12 LEU 78 -5.667 -0.491 -1.218 498 HD13 LEU 78 HD13 LEU 78 -3.964 -0.733 -1.605 499 HD21 LEU 78 HD21 LEU 78 -3.361 0.567 0.397 500 HD22 LEU 78 HD22 LEU 78 -5.017 1.020 0.814 501 HD23 LEU 78 HD23 LEU 78 -3.798 2.269 0.527 502 H LEU 79 HN LEU 79 -3.786 4.822 -2.951 503 HA LEU 79 HA LEU 79 -6.534 5.228 -2.598 504 HB2 LEU 79 HB2 LEU 79 -4.166 6.932 -3.012 505 HB3 LEU 79 HB1 LEU 79 -5.693 7.656 -3.466 506 HG LEU 79 HG LEU 79 -5.013 8.231 -1.165 507 HD11 LEU 79 HD11 LEU 79 -7.380 8.209 -1.775 508 HD12 LEU 79 HD12 LEU 79 -7.141 7.739 -0.092 509 HD13 LEU 79 HD13 LEU 79 -7.486 6.511 -1.310 510 HD21 LEU 79 HD21 LEU 79 -5.036 6.564 0.587 511 HD22 LEU 79 HD22 LEU 79 -3.850 6.121 -0.645 512 HD23 LEU 79 HD23 LEU 79 -5.410 5.300 -0.584 513 H GLU 80 HN GLU 80 -4.615 4.993 -5.484 514 HA GLU 80 HA GLU 80 -6.544 6.089 -7.272 515 HB2 GLU 80 HB2 GLU 80 -4.339 4.088 -7.801 516 HB3 GLU 80 HB1 GLU 80 -5.223 4.997 -9.024 517 HG2 GLU 80 HG2 GLU 80 -4.328 7.087 -8.028 518 HG3 GLU 80 HG1 GLU 80 -3.352 6.101 -6.942 519 H LEU 81 HN LEU 81 -5.836 2.898 -6.003 520 HA LEU 81 HA LEU 81 -7.636 1.401 -7.577 521 HB2 LEU 81 HB2 LEU 81 -5.745 0.807 -5.751 522 HB3 LEU 81 HB1 LEU 81 -7.174 0.644 -4.757 523 HG LEU 81 HG LEU 81 -6.703 -0.845 -7.327 524 HD11 LEU 81 HD11 LEU 81 -6.460 -1.798 -4.477 525 HD12 LEU 81 HD12 LEU 81 -5.115 -1.493 -5.576 526 HD13 LEU 81 HD13 LEU 81 -6.265 -2.785 -5.926 527 HD21 LEU 81 HD21 LEU 81 -8.807 -1.194 -5.193 528 HD22 LEU 81 HD22 LEU 81 -8.590 -2.226 -6.606 529 HD23 LEU 81 HD23 LEU 81 -9.070 -0.541 -6.810 530 H LEU 82 HN LEU 82 -7.891 2.922 -4.400 531 HA LEU 82 HA LEU 82 -10.649 2.336 -4.019 532 HB2 LEU 82 HB2 LEU 82 -8.539 3.898 -2.637 533 HB3 LEU 82 HB1 LEU 82 -10.203 4.300 -2.266 534 HG LEU 82 HG LEU 82 -10.629 2.205 -1.323 535 HD11 LEU 82 HD11 LEU 82 -9.668 0.797 -3.062 536 HD12 LEU 82 HD12 LEU 82 -9.149 0.277 -1.459 537 HD13 LEU 82 HD13 LEU 82 -8.046 1.190 -2.490 538 HD21 LEU 82 HD21 LEU 82 -7.792 2.922 -0.616 539 HD22 LEU 82 HD22 LEU 82 -8.864 1.908 0.349 540 HD23 LEU 82 HD23 LEU 82 -9.250 3.609 0.096 541 H ASN 83 HN ASN 83 -9.226 4.386 -6.133 542 HA ASN 83 HA ASN 83 -11.333 6.419 -6.001 543 HB2 ASN 83 HB2 ASN 83 -8.994 7.162 -6.364 544 HB3 ASN 83 HB1 ASN 83 -8.932 6.205 -7.839 545 HD21 ASN 83 HD21 ASN 83 -8.547 7.916 -9.177 546 HD22 ASN 83 HD22 ASN 83 -9.723 9.139 -9.511 547 H LYS 84 HN LYS 84 -10.629 3.483 -7.390 548 HA LYS 84 HA LYS 84 -12.487 3.913 -9.616 549 HB2 LYS 84 HB2 LYS 84 -10.181 1.962 -9.558 550 HB3 LYS 84 HB1 LYS 84 -11.199 2.355 -10.939 551 HG2 LYS 84 HG2 LYS 84 -10.350 4.701 -10.775 552 HG3 LYS 84 HG1 LYS 84 -9.207 4.137 -9.568 553 HD2 LYS 84 HD2 LYS 84 -9.321 2.764 -12.213 554 HD3 LYS 84 HD1 LYS 84 -8.503 4.319 -12.086 555 HE2 LYS 84 HE2 LYS 84 -6.842 2.667 -11.783 556 HE3 LYS 84 HE1 LYS 84 -7.171 3.333 -10.187 557 HZ1 LYS 84 HZ1 LYS 84 -6.994 0.950 -10.086 558 HZ2 LYS 84 HZ2 LYS 84 -8.194 0.762 -11.258 559 HZ3 LYS 84 HZ3 LYS 84 -8.589 1.401 -9.747 560 H THR 85 HN THR 85 -13.416 3.255 -7.151 561 HA THR 85 HA THR 85 -13.814 0.368 -7.093 562 HB THR 85 HB THR 85 -15.181 1.065 -4.968 563 HG1 THR 85 HG1 THR 85 -15.138 3.299 -5.304 564 HG21 THR 85 HG21 THR 85 -13.111 1.028 -3.629 565 HG22 THR 85 HG22 THR 85 -12.170 1.278 -5.101 566 HG23 THR 85 HG23 THR 85 -13.105 -0.204 -4.893 Start of MODEL 3 1 H1 ASN 15 HT1 ASN 15 -5.309 5.901 5.512 2 H2 ASN 15 HT2 ASN 15 -5.922 5.190 4.106 3 H3 ASN 15 HT3 ASN 15 -4.583 4.513 4.882 4 HA ASN 15 HA ASN 15 -6.546 3.219 5.328 5 HB2 ASN 15 HB2 ASN 15 -5.407 4.768 7.660 6 HB3 ASN 15 HB1 ASN 15 -6.466 3.372 7.851 7 HD21 ASN 15 HD21 ASN 15 -3.711 3.691 8.699 8 HD22 ASN 15 HD22 ASN 15 -2.815 2.442 7.905 9 H ASP 16 HN ASP 16 -7.063 6.617 5.515 10 HA ASP 16 HA ASP 16 -9.407 6.539 7.130 11 HB2 ASP 16 HB2 ASP 16 -9.746 8.872 6.373 12 HB3 ASP 16 HB1 ASP 16 -8.125 8.584 6.989 13 H ILE 17 HN ILE 17 -8.851 6.524 3.623 14 HA ILE 17 HA ILE 17 -11.546 6.564 2.858 15 HB ILE 17 HB ILE 17 -9.150 5.348 1.487 16 HG12 ILE 17 HG12 ILE 17 -9.664 7.263 -0.123 17 HG13 ILE 17 HG11 ILE 17 -10.746 7.874 1.118 18 HG21 ILE 17 HG21 ILE 17 -11.080 4.089 0.770 19 HG22 ILE 17 HG22 ILE 17 -10.561 5.165 -0.528 20 HG23 ILE 17 HG23 ILE 17 -11.967 5.578 0.451 21 HD11 ILE 17 HD11 ILE 17 -7.798 7.425 1.442 22 HD12 ILE 17 HD12 ILE 17 -8.903 8.064 2.661 23 HD13 ILE 17 HD13 ILE 17 -8.593 8.979 1.185 24 H CYS 18 HN CYS 18 -9.392 3.956 3.753 25 HA CYS 18 HA CYS 18 -11.077 1.780 3.135 26 HB2 CYS 18 HB2 CYS 18 -8.961 1.841 5.289 27 HB3 CYS 18 HB1 CYS 18 -9.482 0.460 4.334 28 HG CYS 18 HG CYS 18 -8.000 0.874 2.225 29 H LEU 19 HN LEU 19 -10.488 3.637 6.048 30 HA LEU 19 HA LEU 19 -12.071 2.194 7.854 31 HB2 LEU 19 HB2 LEU 19 -10.384 3.952 8.368 32 HB3 LEU 19 HB1 LEU 19 -11.521 5.155 7.814 33 HG LEU 19 HG LEU 19 -13.084 4.450 9.620 34 HD11 LEU 19 HD11 LEU 19 -10.730 2.799 10.531 35 HD12 LEU 19 HD12 LEU 19 -12.277 2.179 9.954 36 HD13 LEU 19 HD13 LEU 19 -12.201 3.095 11.459 37 HD21 LEU 19 HD21 LEU 19 -11.652 6.382 9.910 38 HD22 LEU 19 HD22 LEU 19 -10.335 5.352 10.468 39 HD23 LEU 19 HD23 LEU 19 -11.802 5.507 11.434 40 H ARG 20 HN ARG 20 -12.790 5.127 5.987 41 HA ARG 20 HA ARG 20 -15.459 5.468 6.681 42 HB2 ARG 20 HB2 ARG 20 -14.184 7.144 5.478 43 HB3 ARG 20 HB1 ARG 20 -14.055 6.090 4.083 44 HG2 ARG 20 HG2 ARG 20 -16.529 6.175 3.858 45 HG3 ARG 20 HG1 ARG 20 -16.558 7.369 5.158 46 HD2 ARG 20 HD2 ARG 20 -15.286 8.915 3.866 47 HD3 ARG 20 HD1 ARG 20 -14.962 7.703 2.628 48 HE ARG 20 HE ARG 20 -17.747 8.444 3.117 49 HH11 ARG 20 HH11 ARG 20 -14.892 8.711 1.120 50 HH12 ARG 20 HH12 ARG 20 -15.757 9.254 -0.279 51 HH21 ARG 20 HH21 ARG 20 -18.899 9.172 1.278 52 HH22 ARG 20 HH22 ARG 20 -18.039 9.518 -0.189 53 H LYS 21 HN LYS 21 -14.027 3.405 4.233 54 HA LYS 21 HA LYS 21 -16.468 2.761 2.913 55 HB2 LYS 21 HB2 LYS 21 -13.642 1.989 2.741 56 HB3 LYS 21 HB1 LYS 21 -14.771 0.727 2.268 57 HG2 LYS 21 HG2 LYS 21 -14.661 3.509 1.125 58 HG3 LYS 21 HG1 LYS 21 -14.048 2.041 0.359 59 HD2 LYS 21 HD2 LYS 21 -16.352 1.099 0.503 60 HD3 LYS 21 HD1 LYS 21 -16.899 2.681 1.060 61 HE2 LYS 21 HE2 LYS 21 -17.294 2.456 -1.322 62 HE3 LYS 21 HE1 LYS 21 -16.051 3.673 -1.040 63 HZ1 LYS 21 HZ1 LYS 21 -15.410 2.247 -2.855 64 HZ2 LYS 21 HZ2 LYS 21 -15.610 0.867 -1.897 65 HZ3 LYS 21 HZ3 LYS 21 -14.379 1.967 -1.540 66 H ASN 22 HN ASN 22 -15.545 2.048 5.881 67 HA ASN 22 HA ASN 22 -16.204 0.608 7.493 68 HB2 ASN 22 HB2 ASN 22 -18.442 0.957 6.413 69 HB3 ASN 22 HB1 ASN 22 -18.149 -0.475 5.439 70 HD21 ASN 22 HD21 ASN 22 -18.535 -2.450 6.299 71 HD22 ASN 22 HD22 ASN 22 -19.115 -2.713 7.907 72 H TRP 23 HN TRP 23 -14.057 0.021 5.694 73 HA TRP 23 HA TRP 23 -14.037 -2.910 5.650 74 HB2 TRP 23 HB2 TRP 23 -12.030 -0.903 4.593 75 HB3 TRP 23 HB1 TRP 23 -11.879 -2.645 4.451 76 HD1 TRP 23 HD1 TRP 23 -15.091 -2.963 3.566 77 HE1 TRP 23 HE1 TRP 23 -15.645 -2.406 1.097 78 HE3 TRP 23 HE3 TRP 23 -10.988 -0.159 2.466 79 HZ2 TRP 23 HZ2 TRP 23 -14.427 -0.961 -1.039 80 HZ3 TRP 23 HZ3 TRP 23 -10.745 0.768 0.214 81 HH2 TRP 23 HH2 TRP 23 -12.434 0.380 -1.506 82 HA PRO 24 HA PRO 24 -11.219 -2.984 9.157 83 HB2 PRO 24 HB2 PRO 24 -9.677 -5.108 8.540 84 HB3 PRO 24 HB1 PRO 24 -11.345 -5.293 9.092 85 HG2 PRO 24 HG2 PRO 24 -10.252 -5.362 6.313 86 HG3 PRO 24 HG1 PRO 24 -11.449 -6.428 7.067 87 HD2 PRO 24 HD2 PRO 24 -12.135 -4.384 5.421 88 HD3 PRO 24 HD1 PRO 24 -13.170 -4.916 6.759 89 H MET 25 HN MET 25 -8.746 -2.988 9.517 90 HA MET 25 HA MET 25 -7.738 -0.911 7.861 91 HB2 MET 25 HB2 MET 25 -6.192 -2.443 9.935 92 HB3 MET 25 HB1 MET 25 -5.948 -0.782 9.408 93 HG2 MET 25 HG2 MET 25 -8.193 -1.869 11.058 94 HG3 MET 25 HG1 MET 25 -6.970 -0.728 11.544 95 HE1 MET 25 HE1 MET 25 -7.999 2.402 9.391 96 HE2 MET 25 HE2 MET 25 -6.887 1.105 8.937 97 HE3 MET 25 HE3 MET 25 -6.850 1.761 10.571 98 HA PRO 26 HA PRO 26 -5.819 -3.387 4.769 99 HB2 PRO 26 HB2 PRO 26 -3.924 -1.167 4.445 100 HB3 PRO 26 HB1 PRO 26 -5.067 -1.843 3.286 101 HG2 PRO 26 HG2 PRO 26 -5.455 0.562 4.408 102 HG3 PRO 26 HG1 PRO 26 -6.805 -0.523 4.025 103 HD2 PRO 26 HD2 PRO 26 -5.515 0.043 6.660 104 HD3 PRO 26 HD1 PRO 26 -7.228 -0.205 6.266 105 H SER 27 HN SER 27 -3.850 -4.339 4.189 106 HA SER 27 HA SER 27 -2.074 -4.810 6.440 107 HB2 SER 27 HB2 SER 27 -2.997 -6.657 4.992 108 HB3 SER 27 HB1 SER 27 -2.006 -6.036 3.685 109 HG SER 27 HG SER 27 -0.901 -6.754 6.190 110 H TYR 28 HN TYR 28 0.131 -4.345 6.456 111 HA TYR 28 HA TYR 28 1.229 -2.898 4.198 112 HB2 TYR 28 HB2 TYR 28 1.037 -1.816 7.012 113 HB3 TYR 28 HB1 TYR 28 2.222 -1.226 5.857 114 HD1 TYR 28 HD2 TYR 28 -1.345 -1.306 6.734 115 HD2 TYR 28 HD1 TYR 28 1.553 0.171 3.988 116 HE1 TYR 28 HE2 TYR 28 -2.981 0.322 5.882 117 HE2 TYR 28 HE1 TYR 28 -0.068 1.802 3.142 118 HH TYR 28 HH TYR 28 -2.584 2.001 3.019 119 H ARG 29 HN ARG 29 3.040 -4.092 3.742 120 HA ARG 29 HA ARG 29 4.882 -4.781 5.842 121 HB2 ARG 29 HB2 ARG 29 3.325 -6.667 5.943 122 HB3 ARG 29 HB1 ARG 29 3.521 -6.924 4.219 123 HG2 ARG 29 HG2 ARG 29 5.891 -7.447 4.571 124 HG3 ARG 29 HG1 ARG 29 5.662 -7.229 6.306 125 HD2 ARG 29 HD2 ARG 29 4.176 -9.235 4.626 126 HD3 ARG 29 HD1 ARG 29 5.612 -9.600 5.574 127 HE ARG 29 HE ARG 29 3.434 -8.419 7.065 128 HH11 ARG 29 HH11 ARG 29 4.968 -11.368 5.977 129 HH12 ARG 29 HH12 ARG 29 4.245 -12.354 7.207 130 HH21 ARG 29 HH21 ARG 29 2.481 -9.721 8.699 131 HH22 ARG 29 HH22 ARG 29 2.840 -11.416 8.755 132 H CYS 30 HN CYS 30 6.861 -4.459 5.061 133 HA CYS 30 HA CYS 30 7.292 -3.649 2.412 134 HB2 CYS 30 HB2 CYS 30 9.329 -4.560 4.445 135 HB3 CYS 30 HB1 CYS 30 9.668 -3.616 3.000 136 HG CYS 30 HG CYS 30 9.806 -1.989 5.301 137 H VAL 31 HN VAL 31 7.649 -4.723 0.616 138 HA VAL 31 HA VAL 31 7.738 -7.606 0.649 139 HB VAL 31 HB VAL 31 7.858 -5.706 -1.705 140 HG11 VAL 31 HG11 VAL 31 7.162 -7.631 -3.039 141 HG12 VAL 31 HG12 VAL 31 7.226 -8.653 -1.605 142 HG13 VAL 31 HG13 VAL 31 8.704 -7.933 -2.239 143 HG21 VAL 31 HG21 VAL 31 5.464 -6.218 -1.974 144 HG22 VAL 31 HG22 VAL 31 5.810 -5.382 -0.460 145 HG23 VAL 31 HG23 VAL 31 5.506 -7.119 -0.458 146 H LYS 32 HN LYS 32 9.895 -4.919 0.113 147 HA LYS 32 HA LYS 32 12.116 -6.825 -0.005 148 HB2 LYS 32 HB2 LYS 32 11.703 -5.996 -2.280 149 HB3 LYS 32 HB1 LYS 32 11.851 -4.342 -1.710 150 HG2 LYS 32 HG2 LYS 32 13.881 -5.083 -2.823 151 HG3 LYS 32 HG1 LYS 32 14.178 -4.739 -1.119 152 HD2 LYS 32 HD2 LYS 32 14.062 -7.113 -0.606 153 HD3 LYS 32 HD1 LYS 32 13.715 -7.478 -2.296 154 HE2 LYS 32 HE2 LYS 32 15.893 -6.603 -2.943 155 HE3 LYS 32 HE1 LYS 32 16.232 -6.176 -1.267 156 HZ1 LYS 32 HZ1 LYS 32 17.277 -8.265 -1.901 157 HZ2 LYS 32 HZ2 LYS 32 15.768 -8.930 -2.270 158 HZ3 LYS 32 HZ3 LYS 32 16.136 -8.504 -0.675 159 H GLU 33 HN GLU 33 13.616 -6.424 1.377 160 HA GLU 33 HA GLU 33 13.529 -3.977 2.982 161 HB2 GLU 33 HB2 GLU 33 13.482 -6.278 4.026 162 HB3 GLU 33 HB1 GLU 33 15.126 -6.503 3.451 163 HG2 GLU 33 HG2 GLU 33 15.277 -5.875 5.716 164 HG3 GLU 33 HG1 GLU 33 15.756 -4.466 4.769 165 H GLY 34 HN GLY 34 15.495 -2.831 3.489 166 HA2 GLY 34 HA2 GLY 34 17.160 -2.497 1.195 167 HA3 GLY 34 HA1 GLY 34 17.280 -1.637 2.720 168 H GLY 35 HN GLY 35 19.176 -3.119 0.823 169 HA2 GLY 35 HA2 GLY 35 20.302 -5.229 2.420 170 HA3 GLY 35 HA1 GLY 35 20.971 -4.553 0.949 171 HA PRO 36 HA PRO 36 24.187 -3.568 4.018 172 HB2 PRO 36 HB2 PRO 36 25.215 -2.528 1.402 173 HB3 PRO 36 HB1 PRO 36 26.067 -3.426 2.660 174 HG2 PRO 36 HG2 PRO 36 25.276 -4.673 0.473 175 HG3 PRO 36 HG1 PRO 36 25.094 -5.454 2.055 176 HD2 PRO 36 HD2 PRO 36 23.031 -4.174 0.326 177 HD3 PRO 36 HD1 PRO 36 22.887 -5.589 1.387 178 H ALA 37 HN ALA 37 23.942 -1.227 1.350 179 HA ALA 37 HA ALA 37 22.570 0.740 2.887 180 HB1 ALA 37 HB1 ALA 37 24.292 2.408 3.093 181 HB2 ALA 37 HB2 ALA 37 25.463 1.363 2.292 182 HB3 ALA 37 HB3 ALA 37 24.843 0.931 3.884 183 H HIS 38 HN HIS 38 24.734 0.112 0.168 184 HA HIS 38 HA HIS 38 23.655 2.137 -1.515 185 HB2 HIS 38 HB2 HIS 38 24.867 0.991 -3.338 186 HB3 HIS 38 HB1 HIS 38 25.886 1.251 -1.930 187 HD1 HIS 38 HD1 HIS 38 26.996 -0.775 -0.929 188 HD2 HIS 38 HD2 HIS 38 24.051 -1.762 -3.694 189 HE1 HIS 38 HE1 HIS 38 27.176 -3.257 -1.251 190 HE2 HIS 38 HE2 HIS 38 25.270 -3.853 -2.782 191 H ALA 39 HN ALA 39 22.059 -0.327 -0.286 192 HA ALA 39 HA ALA 39 20.211 -0.474 -2.532 193 HB1 ALA 39 HB1 ALA 39 19.996 -2.901 -2.361 194 HB2 ALA 39 HB2 ALA 39 21.263 -2.935 -1.135 195 HB3 ALA 39 HB3 ALA 39 21.646 -2.445 -2.786 196 H LYS 40 HN LYS 40 20.238 0.859 0.055 197 HA LYS 40 HA LYS 40 18.461 -0.653 1.742 198 HB2 LYS 40 HB2 LYS 40 20.301 1.075 2.459 199 HB3 LYS 40 HB1 LYS 40 18.991 2.225 2.243 200 HG2 LYS 40 HG2 LYS 40 18.981 1.630 4.522 201 HG3 LYS 40 HG1 LYS 40 17.614 0.812 3.778 202 HD2 LYS 40 HD2 LYS 40 18.950 -1.244 3.627 203 HD3 LYS 40 HD1 LYS 40 20.292 -0.416 4.412 204 HE2 LYS 40 HE2 LYS 40 18.940 -0.067 6.399 205 HE3 LYS 40 HE1 LYS 40 17.559 -0.824 5.610 206 HZ1 LYS 40 HZ1 LYS 40 18.862 -2.884 5.468 207 HZ2 LYS 40 HZ2 LYS 40 18.619 -2.383 7.065 208 HZ3 LYS 40 HZ3 LYS 40 20.120 -2.142 6.324 209 H ARG 41 HN ARG 41 17.656 0.412 -0.998 210 HA ARG 41 HA ARG 41 15.391 2.060 -0.242 211 HB2 ARG 41 HB2 ARG 41 14.697 1.866 -2.624 212 HB3 ARG 41 HB1 ARG 41 16.284 2.570 -2.396 213 HG2 ARG 41 HG2 ARG 41 17.290 0.382 -2.967 214 HG3 ARG 41 HG1 ARG 41 15.666 -0.237 -3.286 215 HD2 ARG 41 HD2 ARG 41 15.359 1.547 -4.968 216 HD3 ARG 41 HD1 ARG 41 17.021 2.060 -4.690 217 HE ARG 41 HE ARG 41 16.818 -0.706 -5.405 218 HH11 ARG 41 HH11 ARG 41 16.938 2.563 -6.658 219 HH12 ARG 41 HH12 ARG 41 17.518 2.079 -8.221 220 HH21 ARG 41 HH21 ARG 41 17.580 -1.347 -7.470 221 HH22 ARG 41 HH22 ARG 41 17.888 -0.137 -8.679 222 H PHE 42 HN PHE 42 13.368 1.432 -0.014 223 HA PHE 42 HA PHE 42 12.972 -1.476 0.233 224 HB2 PHE 42 HB2 PHE 42 11.257 0.551 1.639 225 HB3 PHE 42 HB1 PHE 42 11.590 -1.118 2.088 226 HD1 PHE 42 HD1 PHE 42 14.343 -1.448 2.366 227 HD2 PHE 42 HD2 PHE 42 12.065 2.069 3.110 228 HE1 PHE 42 HE1 PHE 42 16.087 -0.639 3.903 229 HE2 PHE 42 HE2 PHE 42 13.790 2.869 4.648 230 HZ PHE 42 HZ PHE 42 15.806 1.516 5.056 231 H THR 43 HN THR 43 11.285 -2.429 -0.699 232 HA THR 43 HA THR 43 9.435 -0.752 -2.258 233 HB THR 43 HB THR 43 10.441 -3.532 -2.939 234 HG1 THR 43 HG1 THR 43 11.596 -2.451 -4.596 235 HG21 THR 43 HG21 THR 43 8.722 -1.605 -4.498 236 HG22 THR 43 HG22 THR 43 8.198 -3.124 -3.770 237 HG23 THR 43 HG23 THR 43 9.350 -3.138 -5.107 238 H PHE 44 HN PHE 44 7.227 -1.115 -1.726 239 HA PHE 44 HA PHE 44 6.711 -3.439 -0.055 240 HB2 PHE 44 HB2 PHE 44 6.804 -2.001 1.709 241 HB3 PHE 44 HB1 PHE 44 6.656 -0.581 0.684 242 HD1 PHE 44 HD2 PHE 44 4.664 -3.363 2.130 243 HD2 PHE 44 HD1 PHE 44 4.713 0.626 0.674 244 HE1 PHE 44 HE2 PHE 44 2.330 -3.078 2.835 245 HE2 PHE 44 HE1 PHE 44 2.387 0.918 1.397 246 HZ PHE 44 HZ PHE 44 1.200 -0.936 2.491 247 H GLY 45 HN GLY 45 4.485 -4.065 -0.037 248 HA2 GLY 45 HA2 GLY 45 2.866 -2.855 -2.185 249 HA3 GLY 45 HA1 GLY 45 2.996 -4.599 -1.982 250 H VAL 46 HN VAL 46 0.835 -2.354 -1.617 251 HA VAL 46 HA VAL 46 0.021 -3.081 1.122 252 HB VAL 46 HB VAL 46 0.438 -0.687 0.861 253 HG11 VAL 46 HG11 VAL 46 -1.686 -0.746 -1.262 254 HG12 VAL 46 HG12 VAL 46 0.034 -0.454 -1.511 255 HG13 VAL 46 HG13 VAL 46 -0.932 0.702 -0.593 256 HG21 VAL 46 HG21 VAL 46 -1.695 0.161 1.683 257 HG22 VAL 46 HG22 VAL 46 -1.306 -1.399 2.406 258 HG23 VAL 46 HG23 VAL 46 -2.500 -1.301 1.112 259 H ARG 47 HN ARG 47 -2.230 -3.645 1.490 260 HA ARG 47 HA ARG 47 -3.813 -4.112 -0.895 261 HB2 ARG 47 HB2 ARG 47 -4.270 -6.453 -0.107 262 HB3 ARG 47 HB1 ARG 47 -2.618 -6.206 -0.662 263 HG2 ARG 47 HG2 ARG 47 -2.291 -5.702 1.931 264 HG3 ARG 47 HG1 ARG 47 -3.664 -6.801 2.031 265 HD2 ARG 47 HD2 ARG 47 -1.930 -8.296 2.124 266 HD3 ARG 47 HD1 ARG 47 -2.204 -8.238 0.381 267 HE ARG 47 HE ARG 47 -0.157 -6.566 1.684 268 HH11 ARG 47 HH11 ARG 47 -1.069 -8.906 -0.760 269 HH12 ARG 47 HH12 ARG 47 0.464 -8.828 -1.576 270 HH21 ARG 47 HH21 ARG 47 1.839 -6.469 0.633 271 HH22 ARG 47 HH22 ARG 47 2.123 -7.443 -0.782 272 H VAL 48 HN VAL 48 -6.006 -4.141 -0.449 273 HA VAL 48 HA VAL 48 -6.772 -3.605 2.361 274 HB VAL 48 HB VAL 48 -7.934 -2.333 -0.115 275 HG11 VAL 48 HG11 VAL 48 -9.183 -0.909 1.458 276 HG12 VAL 48 HG12 VAL 48 -8.576 -1.891 2.793 277 HG13 VAL 48 HG13 VAL 48 -9.630 -2.611 1.574 278 HG21 VAL 48 HG21 VAL 48 -6.339 -1.023 2.070 279 HG22 VAL 48 HG22 VAL 48 -6.922 -0.282 0.580 280 HG23 VAL 48 HG23 VAL 48 -5.670 -1.524 0.519 281 H ASN 49 HN ASN 49 -8.959 -4.271 2.933 282 HA ASN 49 HA ASN 49 -9.800 -6.600 1.381 283 HB2 ASN 49 HB2 ASN 49 -9.453 -6.845 3.838 284 HB3 ASN 49 HB1 ASN 49 -10.763 -5.699 4.101 285 HD21 ASN 49 HD21 ASN 49 -11.950 -7.257 5.236 286 HD22 ASN 49 HD22 ASN 49 -12.763 -8.548 4.425 287 H THR 50 HN THR 50 -10.666 -5.473 -0.275 288 HA THR 50 HA THR 50 -12.809 -3.573 0.061 289 HB THR 50 HB THR 50 -13.255 -3.888 -2.395 290 HG1 THR 50 HG1 THR 50 -11.162 -5.777 -2.065 291 HG21 THR 50 HG21 THR 50 -10.430 -3.224 -1.573 292 HG22 THR 50 HG22 THR 50 -11.803 -2.117 -1.608 293 HG23 THR 50 HG23 THR 50 -11.174 -2.789 -3.112 294 H SER 51 HN SER 51 -14.710 -3.934 0.636 295 HA SER 51 HA SER 51 -15.678 -6.344 1.464 296 HB2 SER 51 HB2 SER 51 -17.895 -5.107 1.504 297 HB3 SER 51 HB1 SER 51 -16.535 -4.337 2.326 298 HG SER 51 HG SER 51 -17.840 -3.599 -0.032 299 H ASP 52 HN ASP 52 -15.868 -5.052 -1.782 300 HA ASP 52 HA ASP 52 -17.955 -6.943 -2.506 301 HB2 ASP 52 HB2 ASP 52 -18.185 -5.766 -4.516 302 HB3 ASP 52 HB1 ASP 52 -17.819 -4.520 -3.329 303 H ARG 53 HN ARG 53 -14.527 -6.996 -2.451 304 HA ARG 53 HA ARG 53 -14.545 -9.244 -4.348 305 HB2 ARG 53 HB2 ARG 53 -13.768 -7.199 -5.521 306 HB3 ARG 53 HB1 ARG 53 -12.459 -7.068 -4.352 307 HG2 ARG 53 HG2 ARG 53 -11.478 -8.119 -6.183 308 HG3 ARG 53 HG1 ARG 53 -11.841 -9.430 -5.055 309 HD2 ARG 53 HD2 ARG 53 -13.845 -9.987 -6.289 310 HD3 ARG 53 HD1 ARG 53 -13.563 -8.647 -7.398 311 HE ARG 53 HE ARG 53 -11.288 -10.177 -7.521 312 HH11 ARG 53 HH11 ARG 53 -14.699 -10.717 -8.100 313 HH12 ARG 53 HH12 ARG 53 -14.432 -11.949 -9.291 314 HH21 ARG 53 HH21 ARG 53 -10.931 -11.797 -9.075 315 HH22 ARG 53 HH22 ARG 53 -12.279 -12.568 -9.846 316 H GLY 54 HN GLY 54 -12.815 -7.526 -1.798 317 HA2 GLY 54 HA2 GLY 54 -12.058 -8.907 0.091 318 HA3 GLY 54 HA1 GLY 54 -11.486 -10.053 -1.104 319 H TRP 55 HN TRP 55 -9.402 -9.941 -0.177 320 HA TRP 55 HA TRP 55 -7.833 -7.674 0.084 321 HB2 TRP 55 HB2 TRP 55 -7.223 -10.544 -0.464 322 HB3 TRP 55 HB1 TRP 55 -5.930 -9.368 -0.644 323 HD1 TRP 55 HD1 TRP 55 -6.959 -11.701 1.795 324 HE1 TRP 55 HE1 TRP 55 -6.384 -10.973 4.195 325 HE3 TRP 55 HE3 TRP 55 -6.131 -6.730 0.966 326 HZ2 TRP 55 HZ2 TRP 55 -5.667 -8.603 5.539 327 HZ3 TRP 55 HZ3 TRP 55 -5.503 -5.307 2.868 328 HH2 TRP 55 HH2 TRP 55 -5.285 -6.217 5.111 329 H THR 56 HN THR 56 -7.307 -6.183 -1.291 330 HA THR 56 HA THR 56 -7.686 -6.399 -4.103 331 HB THR 56 HB THR 56 -6.578 -4.175 -4.197 332 HG1 THR 56 HG1 THR 56 -5.159 -3.951 -2.617 333 HG21 THR 56 HG21 THR 56 -8.983 -4.334 -3.737 334 HG22 THR 56 HG22 THR 56 -8.254 -2.951 -2.920 335 HG23 THR 56 HG23 THR 56 -8.642 -4.410 -2.007 336 H ASP 57 HN ASP 57 -6.116 -6.491 -5.764 337 HA ASP 57 HA ASP 57 -3.691 -7.816 -5.254 338 HB2 ASP 57 HB2 ASP 57 -3.029 -7.118 -7.547 339 HB3 ASP 57 HB1 ASP 57 -4.613 -7.869 -7.483 340 H GLU 58 HN GLU 58 -1.965 -7.117 -4.333 341 HA GLU 58 HA GLU 58 -1.959 -4.709 -3.012 342 HB2 GLU 58 HB2 GLU 58 -0.025 -5.396 -2.025 343 HB3 GLU 58 HB1 GLU 58 -0.659 -6.919 -2.602 344 HG2 GLU 58 HG2 GLU 58 0.790 -6.430 -4.687 345 HG3 GLU 58 HG1 GLU 58 1.628 -5.320 -3.597 346 H CYS 59 HN CYS 59 -0.985 -2.815 -3.220 347 HA CYS 59 HA CYS 59 -0.125 -2.124 -5.926 348 HB2 CYS 59 HB2 CYS 59 -0.937 -0.334 -3.620 349 HB3 CYS 59 HB1 CYS 59 -0.578 0.196 -5.262 350 HG CYS 59 HG CYS 59 -2.911 -2.136 -5.316 351 H ILE 60 HN ILE 60 1.976 -2.563 -6.066 352 HA ILE 60 HA ILE 60 3.856 -2.103 -3.979 353 HB ILE 60 HB ILE 60 4.275 -2.563 -6.937 354 HG12 ILE 60 HG12 ILE 60 3.080 -4.387 -5.695 355 HG13 ILE 60 HG11 ILE 60 4.607 -4.873 -6.425 356 HG21 ILE 60 HG21 ILE 60 6.549 -3.204 -6.330 357 HG22 ILE 60 HG22 ILE 60 6.220 -2.743 -4.660 358 HG23 ILE 60 HG23 ILE 60 6.205 -1.521 -5.929 359 HD11 ILE 60 HD11 ILE 60 4.323 -5.794 -4.194 360 HD12 ILE 60 HD12 ILE 60 4.197 -4.161 -3.542 361 HD13 ILE 60 HD13 ILE 60 5.702 -4.699 -4.280 362 H GLY 61 HN GLY 61 4.647 -0.200 -3.402 363 HA2 GLY 61 HA2 GLY 61 4.239 2.136 -5.072 364 HA3 GLY 61 HA1 GLY 61 4.889 2.119 -3.440 365 H GLU 62 HN GLU 62 6.405 3.710 -4.396 366 HA GLU 62 HA GLU 62 8.367 2.716 -6.268 367 HB2 GLU 62 HB2 GLU 62 8.281 5.259 -4.635 368 HB3 GLU 62 HB1 GLU 62 9.456 4.907 -5.892 369 HG2 GLU 62 HG2 GLU 62 7.680 4.860 -7.554 370 HG3 GLU 62 HG1 GLU 62 6.484 5.174 -6.295 371 HA PRO 63 HA PRO 63 11.197 1.039 -3.190 372 HB2 PRO 63 HB2 PRO 63 13.247 1.928 -5.144 373 HB3 PRO 63 HB1 PRO 63 12.995 0.333 -4.429 374 HG2 PRO 63 HG2 PRO 63 12.345 0.826 -6.976 375 HG3 PRO 63 HG1 PRO 63 11.360 -0.244 -5.961 376 HD2 PRO 63 HD2 PRO 63 10.847 2.575 -6.802 377 HD3 PRO 63 HD1 PRO 63 9.705 1.231 -6.593 378 H MET 64 HN MET 64 11.502 2.304 -1.452 379 HA MET 64 HA MET 64 12.356 5.086 -1.889 380 HB2 MET 64 HB2 MET 64 10.432 3.855 0.064 381 HB3 MET 64 HB1 MET 64 11.152 5.431 0.356 382 HG2 MET 64 HG2 MET 64 9.508 4.683 -2.048 383 HG3 MET 64 HG1 MET 64 8.931 5.587 -0.649 384 HE1 MET 64 HE1 MET 64 8.386 6.799 -3.344 385 HE2 MET 64 HE2 MET 64 9.011 8.442 -3.228 386 HE3 MET 64 HE3 MET 64 8.138 7.734 -1.869 387 HA PRO 65 HA PRO 65 15.799 4.136 0.734 388 HB2 PRO 65 HB2 PRO 65 16.673 6.630 1.207 389 HB3 PRO 65 HB1 PRO 65 16.806 5.887 -0.391 390 HG2 PRO 65 HG2 PRO 65 14.759 7.826 0.629 391 HG3 PRO 65 HG1 PRO 65 15.626 7.830 -0.918 392 HD2 PRO 65 HD2 PRO 65 13.087 6.887 -0.645 393 HD3 PRO 65 HD1 PRO 65 14.231 6.259 -1.849 394 H SER 66 HN SER 66 12.898 5.124 1.889 395 HA SER 66 HA SER 66 13.762 4.931 4.631 396 HB2 SER 66 HB2 SER 66 12.310 7.398 3.630 397 HB3 SER 66 HB1 SER 66 12.639 7.023 5.319 398 HG SER 66 HG SER 66 14.895 6.891 3.817 399 H VAL 67 HN VAL 67 12.157 4.123 5.928 400 HA VAL 67 HA VAL 67 10.280 2.539 4.530 401 HB VAL 67 HB VAL 67 9.493 1.823 6.802 402 HG11 VAL 67 HG11 VAL 67 11.274 0.649 5.622 403 HG12 VAL 67 HG12 VAL 67 11.561 0.655 7.362 404 HG13 VAL 67 HG13 VAL 67 12.464 1.749 6.314 405 HG21 VAL 67 HG21 VAL 67 9.942 3.896 8.010 406 HG22 VAL 67 HG22 VAL 67 11.672 3.687 7.735 407 HG23 VAL 67 HG23 VAL 67 10.795 2.538 8.745 408 H LYS 68 HN LYS 68 9.875 5.552 6.345 409 HA LYS 68 HA LYS 68 7.095 5.352 6.658 410 HB2 LYS 68 HB2 LYS 68 8.853 6.898 7.796 411 HB3 LYS 68 HB1 LYS 68 8.539 7.966 6.435 412 HG2 LYS 68 HG2 LYS 68 6.188 8.034 7.003 413 HG3 LYS 68 HG1 LYS 68 6.486 6.908 8.327 414 HD2 LYS 68 HD2 LYS 68 7.936 8.539 9.411 415 HD3 LYS 68 HD1 LYS 68 7.685 9.663 8.074 416 HE2 LYS 68 HE2 LYS 68 6.283 10.226 9.999 417 HE3 LYS 68 HE1 LYS 68 5.313 9.782 8.595 418 HZ1 LYS 68 HZ1 LYS 68 5.000 7.591 9.547 419 HZ2 LYS 68 HZ2 LYS 68 4.475 8.775 10.629 420 HZ3 LYS 68 HZ3 LYS 68 5.953 7.998 10.881 421 H LYS 69 HN LYS 69 9.113 6.795 4.124 422 HA LYS 69 HA LYS 69 6.815 7.842 2.736 423 HB2 LYS 69 HB2 LYS 69 8.409 8.607 1.049 424 HB3 LYS 69 HB1 LYS 69 8.927 9.074 2.663 425 HG2 LYS 69 HG2 LYS 69 10.387 7.011 2.628 426 HG3 LYS 69 HG1 LYS 69 10.023 6.912 0.910 427 HD2 LYS 69 HD2 LYS 69 11.281 9.288 2.273 428 HD3 LYS 69 HD1 LYS 69 12.171 8.052 1.391 429 HE2 LYS 69 HE2 LYS 69 11.964 9.709 -0.197 430 HE3 LYS 69 HE1 LYS 69 10.582 8.682 -0.570 431 HZ1 LYS 69 HZ1 LYS 69 10.499 11.187 1.024 432 HZ2 LYS 69 HZ2 LYS 69 9.167 10.211 0.664 433 HZ3 LYS 69 HZ3 LYS 69 9.983 11.016 -0.575 434 H ALA 70 HN ALA 70 8.671 4.933 2.757 435 HA ALA 70 HA ALA 70 8.092 3.876 0.258 436 HB1 ALA 70 HB1 ALA 70 8.248 2.363 2.863 437 HB2 ALA 70 HB2 ALA 70 9.634 2.856 1.890 438 HB3 ALA 70 HB3 ALA 70 8.470 1.697 1.245 439 H LYS 71 HN LYS 71 6.301 3.135 3.262 440 HA LYS 71 HA LYS 71 4.087 1.963 2.100 441 HB2 LYS 71 HB2 LYS 71 2.958 2.267 4.179 442 HB3 LYS 71 HB1 LYS 71 4.651 1.956 4.515 443 HG2 LYS 71 HG2 LYS 71 5.064 4.276 4.920 444 HG3 LYS 71 HG1 LYS 71 3.414 4.657 4.438 445 HD2 LYS 71 HD2 LYS 71 4.068 2.853 6.756 446 HD3 LYS 71 HD1 LYS 71 3.864 4.594 6.934 447 HE2 LYS 71 HE2 LYS 71 1.777 2.741 5.794 448 HE3 LYS 71 HE1 LYS 71 1.829 3.265 7.475 449 HZ1 LYS 71 HZ1 LYS 71 1.475 5.003 5.096 450 HZ2 LYS 71 HZ2 LYS 71 1.648 5.572 6.675 451 HZ3 LYS 71 HZ3 LYS 71 0.308 4.632 6.260 452 H ASP 72 HN ASP 72 4.612 5.318 2.948 453 HA ASP 72 HA ASP 72 2.257 6.470 2.180 454 HB2 ASP 72 HB2 ASP 72 4.147 7.670 3.220 455 HB3 ASP 72 HB1 ASP 72 5.015 7.605 1.690 456 H SER 73 HN SER 73 5.018 5.756 0.021 457 HA SER 73 HA SER 73 3.923 6.846 -2.302 458 HB2 SER 73 HB2 SER 73 6.281 6.245 -2.114 459 HB3 SER 73 HB1 SER 73 5.857 4.540 -1.975 460 HG SER 73 HG SER 73 5.090 6.083 -4.217 461 H ALA 74 HN ALA 74 3.707 3.529 -1.023 462 HA ALA 74 HA ALA 74 2.369 2.476 -3.309 463 HB1 ALA 74 HB1 ALA 74 1.946 0.525 -1.939 464 HB2 ALA 74 HB2 ALA 74 2.370 1.426 -0.485 465 HB3 ALA 74 HB3 ALA 74 3.602 1.080 -1.697 466 H ALA 75 HN ALA 75 1.325 3.775 -0.238 467 HA ALA 75 HA ALA 75 -1.411 3.338 -0.330 468 HB1 ALA 75 HB1 ALA 75 -1.640 5.249 1.152 469 HB2 ALA 75 HB2 ALA 75 -0.015 5.790 0.732 470 HB3 ALA 75 HB3 ALA 75 -0.241 4.276 1.607 471 H VAL 76 HN VAL 76 0.498 5.842 -1.971 472 HA VAL 76 HA VAL 76 -1.581 7.499 -2.830 473 HB VAL 76 HB VAL 76 1.041 6.901 -4.219 474 HG11 VAL 76 HG11 VAL 76 -0.854 9.217 -4.584 475 HG12 VAL 76 HG12 VAL 76 -0.546 7.928 -5.749 476 HG13 VAL 76 HG13 VAL 76 0.738 9.062 -5.328 477 HG21 VAL 76 HG21 VAL 76 1.827 8.962 -3.144 478 HG22 VAL 76 HG22 VAL 76 1.372 7.731 -1.964 479 HG23 VAL 76 HG23 VAL 76 0.291 9.087 -2.285 480 H LEU 77 HN LEU 77 -0.203 4.575 -4.234 481 HA LEU 77 HA LEU 77 -1.728 4.779 -6.671 482 HB2 LEU 77 HB2 LEU 77 -0.137 2.479 -5.527 483 HB3 LEU 77 HB1 LEU 77 -0.776 2.566 -7.153 484 HG LEU 77 HG LEU 77 1.334 4.397 -6.013 485 HD11 LEU 77 HD11 LEU 77 1.553 2.147 -8.006 486 HD12 LEU 77 HD12 LEU 77 2.151 2.124 -6.348 487 HD13 LEU 77 HD13 LEU 77 2.855 3.234 -7.523 488 HD21 LEU 77 HD21 LEU 77 1.579 5.158 -8.340 489 HD22 LEU 77 HD22 LEU 77 -0.011 5.530 -7.679 490 HD23 LEU 77 HD23 LEU 77 0.186 4.177 -8.792 491 H LEU 78 HN LEU 78 -1.939 3.231 -3.594 492 HA LEU 78 HA LEU 78 -4.025 1.408 -4.075 493 HB2 LEU 78 HB2 LEU 78 -2.566 1.327 -2.138 494 HB3 LEU 78 HB1 LEU 78 -3.165 2.878 -1.598 495 HG LEU 78 HG LEU 78 -5.432 1.802 -1.363 496 HD11 LEU 78 HD11 LEU 78 -3.805 -0.724 -1.629 497 HD12 LEU 78 HD12 LEU 78 -4.970 -0.134 -2.813 498 HD13 LEU 78 HD13 LEU 78 -5.513 -0.615 -1.207 499 HD21 LEU 78 HD21 LEU 78 -4.875 0.869 0.803 500 HD22 LEU 78 HD22 LEU 78 -3.896 2.309 0.502 501 HD23 LEU 78 HD23 LEU 78 -3.185 0.707 0.322 502 H LEU 79 HN LEU 79 -4.007 4.741 -2.892 503 HA LEU 79 HA LEU 79 -6.781 4.986 -2.503 504 HB2 LEU 79 HB2 LEU 79 -4.493 6.840 -2.725 505 HB3 LEU 79 HB1 LEU 79 -6.074 7.527 -3.031 506 HG LEU 79 HG LEU 79 -6.839 6.815 -0.817 507 HD11 LEU 79 HD11 LEU 79 -4.030 5.786 -0.447 508 HD12 LEU 79 HD12 LEU 79 -5.490 4.805 -0.569 509 HD13 LEU 79 HD13 LEU 79 -5.265 5.885 0.806 510 HD21 LEU 79 HD21 LEU 79 -5.828 9.013 -1.056 511 HD22 LEU 79 HD22 LEU 79 -4.233 8.326 -0.752 512 HD23 LEU 79 HD23 LEU 79 -5.453 8.322 0.522 513 H GLU 80 HN GLU 80 -4.881 5.061 -5.392 514 HA GLU 80 HA GLU 80 -6.853 6.270 -7.069 515 HB2 GLU 80 HB2 GLU 80 -4.636 4.345 -7.787 516 HB3 GLU 80 HB1 GLU 80 -5.487 5.423 -8.893 517 HG2 GLU 80 HG2 GLU 80 -3.859 6.388 -6.559 518 HG3 GLU 80 HG1 GLU 80 -3.200 6.160 -8.172 519 H LEU 81 HN LEU 81 -6.036 3.027 -6.069 520 HA LEU 81 HA LEU 81 -7.804 1.594 -7.758 521 HB2 LEU 81 HB2 LEU 81 -5.763 0.863 -6.249 522 HB3 LEU 81 HB1 LEU 81 -7.013 0.636 -5.048 523 HG LEU 81 HG LEU 81 -6.982 -0.732 -7.729 524 HD11 LEU 81 HD11 LEU 81 -5.077 -1.411 -6.358 525 HD12 LEU 81 HD12 LEU 81 -6.254 -2.716 -6.510 526 HD13 LEU 81 HD13 LEU 81 -6.166 -1.775 -5.021 527 HD21 LEU 81 HD21 LEU 81 -9.216 -0.523 -6.732 528 HD22 LEU 81 HD22 LEU 81 -8.617 -1.270 -5.250 529 HD23 LEU 81 HD23 LEU 81 -8.663 -2.198 -6.748 530 H LEU 82 HN LEU 82 -7.978 2.723 -4.415 531 HA LEU 82 HA LEU 82 -10.573 1.846 -3.835 532 HB2 LEU 82 HB2 LEU 82 -8.555 3.623 -2.665 533 HB3 LEU 82 HB1 LEU 82 -10.205 3.993 -2.209 534 HG LEU 82 HG LEU 82 -10.498 1.969 -1.124 535 HD11 LEU 82 HD11 LEU 82 -9.788 0.389 -2.742 536 HD12 LEU 82 HD12 LEU 82 -8.853 0.083 -1.279 537 HD13 LEU 82 HD13 LEU 82 -8.115 0.937 -2.633 538 HD21 LEU 82 HD21 LEU 82 -8.621 1.759 0.413 539 HD22 LEU 82 HD22 LEU 82 -8.987 3.452 0.081 540 HD23 LEU 82 HD23 LEU 82 -7.606 2.680 -0.697 541 H ASN 83 HN ASN 83 -9.503 4.452 -5.762 542 HA ASN 83 HA ASN 83 -11.954 5.976 -5.488 543 HB2 ASN 83 HB2 ASN 83 -9.758 7.072 -5.942 544 HB3 ASN 83 HB1 ASN 83 -9.723 6.280 -7.512 545 HD21 ASN 83 HD21 ASN 83 -11.310 8.684 -5.554 546 HD22 ASN 83 HD22 ASN 83 -12.076 9.525 -6.855 547 H LYS 84 HN LYS 84 -11.154 3.149 -6.913 548 HA LYS 84 HA LYS 84 -13.070 3.495 -9.114 549 HB2 LYS 84 HB2 LYS 84 -10.576 1.792 -9.067 550 HB3 LYS 84 HB1 LYS 84 -11.771 1.774 -10.357 551 HG2 LYS 84 HG2 LYS 84 -11.226 3.933 -11.052 552 HG3 LYS 84 HG1 LYS 84 -10.382 4.296 -9.547 553 HD2 LYS 84 HD2 LYS 84 -8.642 2.672 -10.137 554 HD3 LYS 84 HD1 LYS 84 -9.495 2.309 -11.640 555 HE2 LYS 84 HE2 LYS 84 -8.356 4.993 -10.865 556 HE3 LYS 84 HE1 LYS 84 -7.622 3.856 -11.993 557 HZ1 LYS 84 HZ1 LYS 84 -10.252 5.189 -12.342 558 HZ2 LYS 84 HZ2 LYS 84 -9.569 4.079 -13.417 559 HZ3 LYS 84 HZ3 LYS 84 -8.827 5.577 -13.164 560 H THR 85 HN THR 85 -13.811 2.765 -6.551 561 HA THR 85 HA THR 85 -15.131 0.302 -7.038 562 HB THR 85 HB THR 85 -12.994 -0.661 -6.365 563 HG1 THR 85 HG1 THR 85 -13.848 -2.058 -4.882 564 HG21 THR 85 HG21 THR 85 -12.130 1.172 -5.020 565 HG22 THR 85 HG22 THR 85 -12.115 -0.332 -4.099 566 HG23 THR 85 HG23 THR 85 -13.365 0.876 -3.798 Start of MODEL 4 1 H1 ASN 15 HT1 ASN 15 -5.360 5.925 5.552 2 H2 ASN 15 HT2 ASN 15 -5.978 5.180 4.169 3 H3 ASN 15 HT3 ASN 15 -4.652 4.508 4.966 4 HA ASN 15 HA ASN 15 -6.620 3.250 5.446 5 HB2 ASN 15 HB2 ASN 15 -5.564 4.886 7.758 6 HB3 ASN 15 HB1 ASN 15 -6.578 3.461 7.948 7 HD21 ASN 15 HD21 ASN 15 -5.036 2.308 9.044 8 HD22 ASN 15 HD22 ASN 15 -3.599 1.707 8.292 9 H ASP 16 HN ASP 16 -7.120 6.649 5.506 10 HA ASP 16 HA ASP 16 -9.425 6.732 7.172 11 HB2 ASP 16 HB2 ASP 16 -8.081 8.721 6.772 12 HB3 ASP 16 HB1 ASP 16 -8.431 8.647 5.051 13 H ILE 17 HN ILE 17 -8.955 6.697 3.666 14 HA ILE 17 HA ILE 17 -11.702 6.762 3.017 15 HB ILE 17 HB ILE 17 -9.313 5.854 1.412 16 HG12 ILE 17 HG12 ILE 17 -9.946 7.954 0.116 17 HG13 ILE 17 HG11 ILE 17 -11.042 8.320 1.437 18 HG21 ILE 17 HG21 ILE 17 -12.163 6.133 0.465 19 HG22 ILE 17 HG22 ILE 17 -11.268 4.623 0.625 20 HG23 ILE 17 HG23 ILE 17 -10.761 5.828 -0.560 21 HD11 ILE 17 HD11 ILE 17 -8.064 8.037 1.653 22 HD12 ILE 17 HD12 ILE 17 -9.171 8.379 2.982 23 HD13 ILE 17 HD13 ILE 17 -8.980 9.545 1.671 24 H CYS 18 HN CYS 18 -9.443 4.189 3.701 25 HA CYS 18 HA CYS 18 -11.071 2.007 2.920 26 HB2 CYS 18 HB2 CYS 18 -8.966 2.004 5.092 27 HB3 CYS 18 HB1 CYS 18 -9.498 0.639 4.118 28 HG CYS 18 HG CYS 18 -8.168 1.237 1.887 29 H LEU 19 HN LEU 19 -10.522 3.702 5.935 30 HA LEU 19 HA LEU 19 -12.096 2.131 7.653 31 HB2 LEU 19 HB2 LEU 19 -10.429 3.835 8.311 32 HB3 LEU 19 HB1 LEU 19 -11.513 5.082 7.761 33 HG LEU 19 HG LEU 19 -13.158 4.369 9.475 34 HD11 LEU 19 HD11 LEU 19 -12.454 2.062 9.755 35 HD12 LEU 19 HD12 LEU 19 -12.408 2.918 11.296 36 HD13 LEU 19 HD13 LEU 19 -10.912 2.599 10.420 37 HD21 LEU 19 HD21 LEU 19 -11.607 6.224 9.857 38 HD22 LEU 19 HD22 LEU 19 -10.436 5.098 10.540 39 HD23 LEU 19 HD23 LEU 19 -11.979 5.365 11.352 40 H ARG 20 HN ARG 20 -12.758 5.041 5.790 41 HA ARG 20 HA ARG 20 -15.367 5.516 6.685 42 HB2 ARG 20 HB2 ARG 20 -13.690 6.963 5.300 43 HB3 ARG 20 HB1 ARG 20 -14.465 6.205 3.916 44 HG2 ARG 20 HG2 ARG 20 -15.556 8.267 4.269 45 HG3 ARG 20 HG1 ARG 20 -16.651 7.000 4.830 46 HD2 ARG 20 HD2 ARG 20 -16.481 8.979 6.351 47 HD3 ARG 20 HD1 ARG 20 -16.119 7.429 7.108 48 HE ARG 20 HE ARG 20 -13.751 8.680 6.144 49 HH11 ARG 20 HH11 ARG 20 -16.103 8.815 8.734 50 HH12 ARG 20 HH12 ARG 20 -14.988 9.472 9.888 51 HH21 ARG 20 HH21 ARG 20 -12.255 9.526 7.681 52 HH22 ARG 20 HH22 ARG 20 -12.810 9.875 9.290 53 H LYS 21 HN LYS 21 -14.111 3.529 4.081 54 HA LYS 21 HA LYS 21 -16.632 3.018 2.846 55 HB2 LYS 21 HB2 LYS 21 -13.887 1.849 2.590 56 HB3 LYS 21 HB1 LYS 21 -15.258 1.125 1.755 57 HG2 LYS 21 HG2 LYS 21 -14.238 3.940 1.434 58 HG3 LYS 21 HG1 LYS 21 -14.091 2.616 0.278 59 HD2 LYS 21 HD2 LYS 21 -16.734 3.669 1.227 60 HD3 LYS 21 HD1 LYS 21 -15.910 4.262 -0.196 61 HE2 LYS 21 HE2 LYS 21 -16.607 1.373 0.227 62 HE3 LYS 21 HE1 LYS 21 -17.641 2.510 -0.623 63 HZ1 LYS 21 HZ1 LYS 21 -16.224 1.187 -2.109 64 HZ2 LYS 21 HZ2 LYS 21 -14.854 1.896 -1.414 65 HZ3 LYS 21 HZ3 LYS 21 -15.962 2.848 -2.262 66 H ASN 22 HN ASN 22 -15.703 2.204 5.770 67 HA ASN 22 HA ASN 22 -16.372 0.706 7.322 68 HB2 ASN 22 HB2 ASN 22 -18.597 0.958 6.203 69 HB3 ASN 22 HB1 ASN 22 -18.195 -0.417 5.185 70 HD21 ASN 22 HD21 ASN 22 -19.860 -1.688 5.918 71 HD22 ASN 22 HD22 ASN 22 -19.906 -2.348 7.516 72 H TRP 23 HN TRP 23 -14.166 0.215 5.511 73 HA TRP 23 HA TRP 23 -14.072 -2.705 5.423 74 HB2 TRP 23 HB2 TRP 23 -12.090 -0.623 4.473 75 HB3 TRP 23 HB1 TRP 23 -11.877 -2.359 4.305 76 HD1 TRP 23 HD1 TRP 23 -15.083 -2.718 3.351 77 HE1 TRP 23 HE1 TRP 23 -15.584 -2.165 0.876 78 HE3 TRP 23 HE3 TRP 23 -10.992 0.143 2.348 79 HZ2 TRP 23 HZ2 TRP 23 -14.346 -0.708 -1.233 80 HZ3 TRP 23 HZ3 TRP 23 -10.717 1.084 0.101 81 HH2 TRP 23 HH2 TRP 23 -12.365 0.672 -1.652 82 HA PRO 24 HA PRO 24 -11.530 -2.904 9.101 83 HB2 PRO 24 HB2 PRO 24 -9.867 -4.946 8.492 84 HB3 PRO 24 HB1 PRO 24 -11.563 -5.197 8.911 85 HG2 PRO 24 HG2 PRO 24 -10.273 -5.099 6.216 86 HG3 PRO 24 HG1 PRO 24 -11.494 -6.229 6.830 87 HD2 PRO 24 HD2 PRO 24 -12.124 -4.134 5.239 88 HD3 PRO 24 HD1 PRO 24 -13.223 -4.734 6.495 89 H MET 25 HN MET 25 -8.918 -3.323 9.497 90 HA MET 25 HA MET 25 -7.662 -1.063 8.285 91 HB2 MET 25 HB2 MET 25 -6.552 -3.206 10.095 92 HB3 MET 25 HB1 MET 25 -5.753 -1.690 9.700 93 HG2 MET 25 HG2 MET 25 -8.437 -1.805 11.030 94 HG3 MET 25 HG1 MET 25 -6.931 -1.828 11.931 95 HE1 MET 25 HE1 MET 25 -8.935 1.757 9.926 96 HE2 MET 25 HE2 MET 25 -9.696 0.285 10.530 97 HE3 MET 25 HE3 MET 25 -8.763 0.248 9.036 98 HA PRO 26 HA PRO 26 -5.928 -3.266 4.864 99 HB2 PRO 26 HB2 PRO 26 -3.887 -1.225 4.619 100 HB3 PRO 26 HB1 PRO 26 -5.261 -1.546 3.567 101 HG2 PRO 26 HG2 PRO 26 -5.063 0.677 5.128 102 HG3 PRO 26 HG1 PRO 26 -6.609 -0.044 4.648 103 HD2 PRO 26 HD2 PRO 26 -5.141 -0.252 7.243 104 HD3 PRO 26 HD1 PRO 26 -6.885 -0.115 6.934 105 H SER 27 HN SER 27 -3.952 -4.188 4.118 106 HA SER 27 HA SER 27 -2.197 -5.019 6.287 107 HB2 SER 27 HB2 SER 27 -3.160 -6.647 4.646 108 HB3 SER 27 HB1 SER 27 -2.211 -5.866 3.389 109 HG SER 27 HG SER 27 -1.422 -7.613 5.375 110 H TYR 28 HN TYR 28 0.047 -4.689 6.307 111 HA TYR 28 HA TYR 28 1.167 -3.044 4.210 112 HB2 TYR 28 HB2 TYR 28 1.086 -2.276 7.121 113 HB3 TYR 28 HB1 TYR 28 2.339 -1.670 6.046 114 HD1 TYR 28 HD2 TYR 28 -1.232 -1.526 6.890 115 HD2 TYR 28 HD1 TYR 28 1.818 -0.038 4.312 116 HE1 TYR 28 HE2 TYR 28 -2.711 0.319 6.203 117 HE2 TYR 28 HE1 TYR 28 0.354 1.801 3.622 118 HH TYR 28 HH TYR 28 -2.550 2.559 5.268 119 H ARG 29 HN ARG 29 2.888 -4.239 3.547 120 HA ARG 29 HA ARG 29 4.581 -5.561 5.514 121 HB2 ARG 29 HB2 ARG 29 2.770 -7.159 4.858 122 HB3 ARG 29 HB1 ARG 29 3.304 -7.019 3.192 123 HG2 ARG 29 HG2 ARG 29 5.582 -7.813 4.063 124 HG3 ARG 29 HG1 ARG 29 4.692 -8.312 5.506 125 HD2 ARG 29 HD2 ARG 29 4.696 -10.225 4.162 126 HD3 ARG 29 HD1 ARG 29 3.112 -9.509 3.873 127 HE ARG 29 HE ARG 29 5.380 -9.556 2.020 128 HH11 ARG 29 HH11 ARG 29 2.021 -8.701 2.618 129 HH12 ARG 29 HH12 ARG 29 1.680 -8.425 0.934 130 HH21 ARG 29 HH21 ARG 29 4.886 -9.202 -0.174 131 HH22 ARG 29 HH22 ARG 29 3.284 -8.701 -0.631 132 H CYS 30 HN CYS 30 6.629 -5.060 4.962 133 HA CYS 30 HA CYS 30 7.253 -3.834 2.490 134 HB2 CYS 30 HB2 CYS 30 9.612 -3.984 3.280 135 HB3 CYS 30 HB1 CYS 30 8.521 -3.254 4.450 136 HG CYS 30 HG CYS 30 10.601 -5.038 5.497 137 H VAL 31 HN VAL 31 7.755 -4.697 0.594 138 HA VAL 31 HA VAL 31 7.891 -7.579 0.424 139 HB VAL 31 HB VAL 31 7.722 -7.337 -1.970 140 HG11 VAL 31 HG11 VAL 31 5.525 -6.268 -2.103 141 HG12 VAL 31 HG12 VAL 31 5.798 -5.534 -0.524 142 HG13 VAL 31 HG13 VAL 31 5.673 -7.286 -0.672 143 HG21 VAL 31 HG21 VAL 31 7.854 -4.363 -1.531 144 HG22 VAL 31 HG22 VAL 31 7.467 -5.158 -3.057 145 HG23 VAL 31 HG23 VAL 31 9.066 -5.357 -2.339 146 H LYS 32 HN LYS 32 9.974 -4.809 -0.302 147 HA LYS 32 HA LYS 32 12.241 -6.674 -0.291 148 HB2 LYS 32 HB2 LYS 32 11.598 -6.076 -2.654 149 HB3 LYS 32 HB1 LYS 32 11.992 -4.409 -2.262 150 HG2 LYS 32 HG2 LYS 32 14.291 -5.091 -1.725 151 HG3 LYS 32 HG1 LYS 32 13.890 -6.742 -2.199 152 HD2 LYS 32 HD2 LYS 32 13.346 -5.935 -4.460 153 HD3 LYS 32 HD1 LYS 32 13.807 -4.302 -3.973 154 HE2 LYS 32 HE2 LYS 32 16.075 -5.095 -3.490 155 HE3 LYS 32 HE1 LYS 32 15.611 -6.720 -3.991 156 HZ1 LYS 32 HZ1 LYS 32 15.126 -5.814 -6.206 157 HZ2 LYS 32 HZ2 LYS 32 16.745 -5.614 -5.770 158 HZ3 LYS 32 HZ3 LYS 32 15.683 -4.297 -5.705 159 H GLU 33 HN GLU 33 13.790 -6.045 1.048 160 HA GLU 33 HA GLU 33 14.463 -3.222 1.346 161 HB2 GLU 33 HB2 GLU 33 13.814 -5.024 3.685 162 HB3 GLU 33 HB1 GLU 33 14.663 -3.496 3.834 163 HG2 GLU 33 HG2 GLU 33 12.671 -2.355 2.911 164 HG3 GLU 33 HG1 GLU 33 11.829 -3.906 2.915 165 H GLY 34 HN GLY 34 16.665 -2.910 1.647 166 HA2 GLY 34 HA2 GLY 34 18.807 -3.423 2.392 167 HA3 GLY 34 HA1 GLY 34 18.254 -5.035 2.809 168 H GLY 35 HN GLY 35 17.459 -6.205 0.589 169 HA2 GLY 35 HA2 GLY 35 18.234 -7.276 -1.301 170 HA3 GLY 35 HA1 GLY 35 18.971 -5.747 -1.738 171 HA PRO 36 HA PRO 36 22.637 -8.468 -1.254 172 HB2 PRO 36 HB2 PRO 36 23.697 -6.098 -2.716 173 HB3 PRO 36 HB1 PRO 36 23.943 -7.816 -3.040 174 HG2 PRO 36 HG2 PRO 36 22.332 -6.373 -4.582 175 HG3 PRO 36 HG1 PRO 36 21.905 -8.037 -4.134 176 HD2 PRO 36 HD2 PRO 36 20.862 -5.453 -3.048 177 HD3 PRO 36 HD1 PRO 36 19.992 -6.964 -3.386 178 H ALA 37 HN ALA 37 22.676 -4.929 -1.175 179 HA ALA 37 HA ALA 37 23.002 -4.539 1.535 180 HB1 ALA 37 HB1 ALA 37 25.684 -4.382 0.161 181 HB2 ALA 37 HB2 ALA 37 25.193 -5.697 1.225 182 HB3 ALA 37 HB3 ALA 37 25.331 -4.058 1.858 183 H HIS 38 HN HIS 38 24.089 -3.478 -1.640 184 HA HIS 38 HA HIS 38 23.921 -0.685 -0.966 185 HB2 HIS 38 HB2 HIS 38 24.443 -0.295 -3.351 186 HB3 HIS 38 HB1 HIS 38 25.579 -1.392 -2.586 187 HD1 HIS 38 HD1 HIS 38 25.969 -3.574 -3.735 188 HD2 HIS 38 HD2 HIS 38 22.508 -1.692 -5.068 189 HE1 HIS 38 HE1 HIS 38 25.144 -4.958 -5.664 190 HE2 HIS 38 HE2 HIS 38 23.149 -3.708 -6.557 191 H ALA 39 HN ALA 39 21.485 -2.505 -0.882 192 HA ALA 39 HA ALA 39 19.777 -0.864 -2.623 193 HB1 ALA 39 HB1 ALA 39 19.342 -3.749 -1.877 194 HB2 ALA 39 HB2 ALA 39 19.911 -3.167 -3.441 195 HB3 ALA 39 HB3 ALA 39 18.284 -2.765 -2.888 196 H LYS 40 HN LYS 40 20.083 0.369 -0.425 197 HA LYS 40 HA LYS 40 18.334 -0.564 1.656 198 HB2 LYS 40 HB2 LYS 40 20.405 1.430 1.329 199 HB3 LYS 40 HB1 LYS 40 19.055 1.996 2.267 200 HG2 LYS 40 HG2 LYS 40 20.646 -0.494 2.814 201 HG3 LYS 40 HG1 LYS 40 20.820 1.038 3.662 202 HD2 LYS 40 HD2 LYS 40 18.524 0.865 4.468 203 HD3 LYS 40 HD1 LYS 40 18.332 -0.660 3.603 204 HE2 LYS 40 HE2 LYS 40 18.791 -1.013 5.984 205 HE3 LYS 40 HE1 LYS 40 20.060 -1.682 4.965 206 HZ1 LYS 40 HZ1 LYS 40 21.442 0.201 5.450 207 HZ2 LYS 40 HZ2 LYS 40 20.917 -0.473 6.908 208 HZ3 LYS 40 HZ3 LYS 40 20.208 0.948 6.331 209 H ARG 41 HN ARG 41 17.599 0.399 -1.161 210 HA ARG 41 HA ARG 41 15.562 2.367 -0.512 211 HB2 ARG 41 HB2 ARG 41 15.803 0.689 -3.020 212 HB3 ARG 41 HB1 ARG 41 14.733 2.054 -2.786 213 HG2 ARG 41 HG2 ARG 41 16.710 3.522 -2.561 214 HG3 ARG 41 HG1 ARG 41 17.735 2.133 -2.940 215 HD2 ARG 41 HD2 ARG 41 16.591 1.874 -5.086 216 HD3 ARG 41 HD1 ARG 41 15.559 3.247 -4.705 217 HE ARG 41 HE ARG 41 18.482 3.485 -5.034 218 HH11 ARG 41 HH11 ARG 41 15.223 4.639 -5.604 219 HH12 ARG 41 HH12 ARG 41 15.731 6.024 -6.508 220 HH21 ARG 41 HH21 ARG 41 19.154 5.292 -6.253 221 HH22 ARG 41 HH22 ARG 41 17.971 6.394 -6.881 222 H PHE 42 HN PHE 42 13.454 1.885 -0.121 223 HA PHE 42 HA PHE 42 12.992 -0.951 0.482 224 HB2 PHE 42 HB2 PHE 42 11.636 1.423 1.772 225 HB3 PHE 42 HB1 PHE 42 11.599 -0.252 2.310 226 HD1 PHE 42 HD1 PHE 42 14.284 -1.148 2.418 227 HD2 PHE 42 HD2 PHE 42 12.777 2.747 3.237 228 HE1 PHE 42 HE1 PHE 42 16.204 -0.719 3.882 229 HE2 PHE 42 HE2 PHE 42 14.702 3.181 4.704 230 HZ PHE 42 HZ PHE 42 16.418 1.447 5.028 231 H THR 43 HN THR 43 11.315 -1.945 -0.364 232 HA THR 43 HA THR 43 9.390 -0.359 -1.925 233 HB THR 43 HB THR 43 10.347 -3.119 -2.718 234 HG1 THR 43 HG1 THR 43 11.902 -1.081 -2.694 235 HG21 THR 43 HG21 THR 43 9.005 -0.892 -4.263 236 HG22 THR 43 HG22 THR 43 8.228 -2.366 -3.685 237 HG23 THR 43 HG23 THR 43 9.483 -2.455 -4.920 238 H PHE 44 HN PHE 44 7.237 -0.906 -1.490 239 HA PHE 44 HA PHE 44 6.748 -3.337 0.025 240 HB2 PHE 44 HB2 PHE 44 6.793 -2.124 1.943 241 HB3 PHE 44 HB1 PHE 44 6.783 -0.597 1.072 242 HD1 PHE 44 HD2 PHE 44 4.593 -3.331 2.257 243 HD2 PHE 44 HD1 PHE 44 4.893 0.713 1.012 244 HE1 PHE 44 HE2 PHE 44 2.252 -2.967 2.881 245 HE2 PHE 44 HE1 PHE 44 2.555 1.082 1.659 246 HZ PHE 44 HZ PHE 44 1.238 -0.758 2.601 247 H GLY 45 HN GLY 45 4.441 -3.907 0.035 248 HA2 GLY 45 HA2 GLY 45 2.856 -2.412 -1.960 249 HA3 GLY 45 HA1 GLY 45 2.925 -4.166 -1.981 250 H VAL 46 HN VAL 46 0.695 -2.132 -1.520 251 HA VAL 46 HA VAL 46 -0.151 -2.930 1.203 252 HB VAL 46 HB VAL 46 -1.776 -0.973 -0.308 253 HG11 VAL 46 HG11 VAL 46 -0.785 -1.125 2.526 254 HG12 VAL 46 HG12 VAL 46 -2.392 -1.533 1.927 255 HG13 VAL 46 HG13 VAL 46 -1.839 0.140 1.898 256 HG21 VAL 46 HG21 VAL 46 0.969 -0.248 0.676 257 HG22 VAL 46 HG22 VAL 46 -0.293 0.917 0.284 258 HG23 VAL 46 HG23 VAL 46 0.354 -0.137 -0.972 259 H ARG 47 HN ARG 47 -2.392 -3.656 1.486 260 HA ARG 47 HA ARG 47 -3.962 -4.006 -0.906 261 HB2 ARG 47 HB2 ARG 47 -4.489 -6.383 -0.278 262 HB3 ARG 47 HB1 ARG 47 -2.860 -6.132 -0.884 263 HG2 ARG 47 HG2 ARG 47 -2.059 -6.131 1.472 264 HG3 ARG 47 HG1 ARG 47 -3.699 -6.533 1.975 265 HD2 ARG 47 HD2 ARG 47 -3.597 -8.546 0.540 266 HD3 ARG 47 HD1 ARG 47 -1.916 -8.163 0.172 267 HE ARG 47 HE ARG 47 -1.725 -8.294 2.773 268 HH11 ARG 47 HH11 ARG 47 -3.593 -10.349 0.645 269 HH12 ARG 47 HH12 ARG 47 -3.535 -11.723 1.704 270 HH21 ARG 47 HH21 ARG 47 -1.645 -10.097 4.177 271 HH22 ARG 47 HH22 ARG 47 -2.428 -11.578 3.719 272 H VAL 48 HN VAL 48 -6.174 -4.149 -0.459 273 HA VAL 48 HA VAL 48 -6.931 -3.615 2.354 274 HB VAL 48 HB VAL 48 -8.016 -2.236 -0.115 275 HG11 VAL 48 HG11 VAL 48 -8.795 -1.904 2.777 276 HG12 VAL 48 HG12 VAL 48 -9.794 -2.584 1.492 277 HG13 VAL 48 HG13 VAL 48 -9.339 -0.880 1.447 278 HG21 VAL 48 HG21 VAL 48 -5.779 -1.481 0.683 279 HG22 VAL 48 HG22 VAL 48 -6.533 -1.047 2.217 280 HG23 VAL 48 HG23 VAL 48 -7.026 -0.236 0.732 281 H ASN 49 HN ASN 49 -9.117 -4.233 2.925 282 HA ASN 49 HA ASN 49 -10.049 -6.537 1.404 283 HB2 ASN 49 HB2 ASN 49 -10.781 -5.484 4.139 284 HB3 ASN 49 HB1 ASN 49 -11.615 -6.831 3.375 285 HD21 ASN 49 HD21 ASN 49 -10.542 -8.787 3.107 286 HD22 ASN 49 HD22 ASN 49 -9.098 -9.161 3.984 287 H THR 50 HN THR 50 -10.844 -5.400 -0.318 288 HA THR 50 HA THR 50 -12.948 -3.450 -0.029 289 HB THR 50 HB THR 50 -13.410 -3.838 -2.473 290 HG1 THR 50 HG1 THR 50 -11.322 -5.729 -2.080 291 HG21 THR 50 HG21 THR 50 -11.930 -2.069 -1.749 292 HG22 THR 50 HG22 THR 50 -11.302 -2.806 -3.224 293 HG23 THR 50 HG23 THR 50 -10.577 -3.196 -1.663 294 H SER 51 HN SER 51 -14.853 -3.775 0.589 295 HA SER 51 HA SER 51 -15.816 -6.155 1.508 296 HB2 SER 51 HB2 SER 51 -18.004 -4.927 1.635 297 HB3 SER 51 HB1 SER 51 -16.614 -4.073 2.311 298 HG SER 51 HG SER 51 -18.075 -3.536 -0.016 299 H ASP 52 HN ASP 52 -16.105 -4.923 -1.765 300 HA ASP 52 HA ASP 52 -18.122 -6.957 -2.342 301 HB2 ASP 52 HB2 ASP 52 -18.663 -5.801 -4.305 302 HB3 ASP 52 HB1 ASP 52 -18.375 -4.546 -3.111 303 H ARG 53 HN ARG 53 -14.742 -6.739 -2.491 304 HA ARG 53 HA ARG 53 -14.713 -8.871 -4.525 305 HB2 ARG 53 HB2 ARG 53 -12.742 -6.605 -4.209 306 HB3 ARG 53 HB1 ARG 53 -12.435 -8.032 -5.185 307 HG2 ARG 53 HG2 ARG 53 -14.314 -7.474 -6.620 308 HG3 ARG 53 HG1 ARG 53 -14.658 -6.055 -5.626 309 HD2 ARG 53 HD2 ARG 53 -12.511 -5.098 -6.183 310 HD3 ARG 53 HD1 ARG 53 -12.063 -6.549 -7.078 311 HE ARG 53 HE ARG 53 -14.415 -5.588 -8.201 312 HH11 ARG 53 HH11 ARG 53 -11.126 -4.475 -7.774 313 HH12 ARG 53 HH12 ARG 53 -11.108 -3.557 -9.243 314 HH21 ARG 53 HH21 ARG 53 -14.402 -4.380 -10.126 315 HH22 ARG 53 HH22 ARG 53 -12.975 -3.493 -10.588 316 H GLY 54 HN GLY 54 -13.003 -7.382 -1.822 317 HA2 GLY 54 HA2 GLY 54 -12.273 -8.874 -0.009 318 HA3 GLY 54 HA1 GLY 54 -11.732 -9.968 -1.264 319 H TRP 55 HN TRP 55 -9.639 -9.954 -0.355 320 HA TRP 55 HA TRP 55 -8.009 -7.737 -0.030 321 HB2 TRP 55 HB2 TRP 55 -7.516 -10.599 -0.647 322 HB3 TRP 55 HB1 TRP 55 -6.186 -9.483 -0.915 323 HD1 TRP 55 HD1 TRP 55 -6.980 -11.803 1.544 324 HE1 TRP 55 HE1 TRP 55 -6.260 -11.096 3.913 325 HE3 TRP 55 HE3 TRP 55 -6.427 -6.791 0.762 326 HZ2 TRP 55 HZ2 TRP 55 -5.547 -8.711 5.252 327 HZ3 TRP 55 HZ3 TRP 55 -5.724 -5.376 2.642 328 HH2 TRP 55 HH2 TRP 55 -5.303 -6.308 4.841 329 H THR 56 HN THR 56 -7.397 -6.213 -1.353 330 HA THR 56 HA THR 56 -7.833 -6.326 -4.168 331 HB THR 56 HB THR 56 -6.735 -4.106 -4.200 332 HG1 THR 56 HG1 THR 56 -5.292 -3.922 -2.636 333 HG21 THR 56 HG21 THR 56 -8.390 -2.942 -2.831 334 HG22 THR 56 HG22 THR 56 -8.765 -4.449 -1.993 335 HG23 THR 56 HG23 THR 56 -9.126 -4.280 -3.712 336 H ASP 57 HN ASP 57 -6.168 -5.922 -5.800 337 HA ASP 57 HA ASP 57 -3.919 -7.586 -5.649 338 HB2 ASP 57 HB2 ASP 57 -4.460 -5.206 -7.429 339 HB3 ASP 57 HB1 ASP 57 -3.081 -6.272 -7.629 340 H GLU 58 HN GLU 58 -1.977 -7.317 -4.835 341 HA GLU 58 HA GLU 58 -1.475 -5.352 -2.937 342 HB2 GLU 58 HB2 GLU 58 -0.447 -7.650 -3.138 343 HB3 GLU 58 HB1 GLU 58 0.630 -6.964 -4.335 344 HG2 GLU 58 HG2 GLU 58 1.641 -5.545 -2.747 345 HG3 GLU 58 HG1 GLU 58 0.400 -5.899 -1.543 346 H CYS 59 HN CYS 59 -1.058 -3.343 -3.204 347 HA CYS 59 HA CYS 59 -0.149 -2.335 -5.774 348 HB2 CYS 59 HB2 CYS 59 -0.984 -0.818 -3.292 349 HB3 CYS 59 HB1 CYS 59 -0.732 -0.134 -4.896 350 HG CYS 59 HG CYS 59 -2.955 -2.625 -4.873 351 H ILE 60 HN ILE 60 1.970 -2.727 -5.945 352 HA ILE 60 HA ILE 60 3.841 -2.311 -3.823 353 HB ILE 60 HB ILE 60 4.281 -2.712 -6.789 354 HG12 ILE 60 HG12 ILE 60 3.063 -4.565 -5.668 355 HG13 ILE 60 HG11 ILE 60 4.635 -5.042 -6.301 356 HG21 ILE 60 HG21 ILE 60 6.215 -1.718 -5.752 357 HG22 ILE 60 HG22 ILE 60 6.544 -3.400 -6.168 358 HG23 ILE 60 HG23 ILE 60 6.202 -2.955 -4.498 359 HD11 ILE 60 HD11 ILE 60 4.085 -4.333 -3.442 360 HD12 ILE 60 HD12 ILE 60 5.592 -4.950 -4.107 361 HD13 ILE 60 HD13 ILE 60 4.155 -5.973 -4.080 362 H GLY 61 HN GLY 61 4.689 -0.438 -3.244 363 HA2 GLY 61 HA2 GLY 61 4.302 1.941 -4.835 364 HA3 GLY 61 HA1 GLY 61 5.072 1.850 -3.257 365 H GLU 62 HN GLU 62 6.477 3.440 -4.460 366 HA GLU 62 HA GLU 62 8.369 2.202 -6.288 367 HB2 GLU 62 HB2 GLU 62 8.182 5.026 -5.214 368 HB3 GLU 62 HB1 GLU 62 9.300 4.485 -6.460 369 HG2 GLU 62 HG2 GLU 62 7.425 3.914 -7.905 370 HG3 GLU 62 HG1 GLU 62 6.298 4.439 -6.659 371 HA PRO 63 HA PRO 63 11.448 1.306 -3.219 372 HB2 PRO 63 HB2 PRO 63 13.715 1.879 -4.657 373 HB3 PRO 63 HB1 PRO 63 12.794 0.381 -4.822 374 HG2 PRO 63 HG2 PRO 63 12.742 2.839 -6.524 375 HG3 PRO 63 HG1 PRO 63 12.696 1.136 -7.012 376 HD2 PRO 63 HD2 PRO 63 10.484 2.665 -6.955 377 HD3 PRO 63 HD1 PRO 63 10.442 0.935 -6.558 378 H MET 64 HN MET 64 11.581 2.688 -1.551 379 HA MET 64 HA MET 64 12.395 5.468 -2.107 380 HB2 MET 64 HB2 MET 64 10.572 4.471 0.081 381 HB3 MET 64 HB1 MET 64 10.989 6.148 -0.239 382 HG2 MET 64 HG2 MET 64 9.429 4.317 -2.042 383 HG3 MET 64 HG1 MET 64 8.796 5.649 -1.085 384 HE1 MET 64 HE1 MET 64 10.018 8.799 -2.877 385 HE2 MET 64 HE2 MET 64 10.607 8.039 -1.398 386 HE3 MET 64 HE3 MET 64 8.875 8.108 -1.725 387 HA PRO 65 HA PRO 65 15.755 4.637 0.604 388 HB2 PRO 65 HB2 PRO 65 16.596 7.124 1.153 389 HB3 PRO 65 HB1 PRO 65 16.723 6.433 -0.469 390 HG2 PRO 65 HG2 PRO 65 14.687 8.334 0.623 391 HG3 PRO 65 HG1 PRO 65 15.511 8.360 -0.945 392 HD2 PRO 65 HD2 PRO 65 12.974 7.395 -0.572 393 HD3 PRO 65 HD1 PRO 65 14.056 6.851 -1.866 394 H SER 66 HN SER 66 12.870 5.456 1.840 395 HA SER 66 HA SER 66 13.803 5.172 4.554 396 HB2 SER 66 HB2 SER 66 12.119 7.568 3.779 397 HB3 SER 66 HB1 SER 66 12.664 7.156 5.399 398 HG SER 66 HG SER 66 14.840 7.240 3.992 399 H VAL 67 HN VAL 67 12.243 4.242 5.865 400 HA VAL 67 HA VAL 67 10.405 2.630 4.430 401 HB VAL 67 HB VAL 67 9.753 1.694 6.597 402 HG11 VAL 67 HG11 VAL 67 12.727 2.093 6.314 403 HG12 VAL 67 HG12 VAL 67 11.762 0.862 5.501 404 HG13 VAL 67 HG13 VAL 67 11.942 0.826 7.255 405 HG21 VAL 67 HG21 VAL 67 11.560 3.789 7.787 406 HG22 VAL 67 HG22 VAL 67 10.754 2.489 8.662 407 HG23 VAL 67 HG23 VAL 67 9.802 3.764 7.905 408 H LYS 68 HN LYS 68 9.985 5.618 6.212 409 HA LYS 68 HA LYS 68 7.181 5.343 6.598 410 HB2 LYS 68 HB2 LYS 68 8.977 7.765 6.599 411 HB3 LYS 68 HB1 LYS 68 7.257 7.844 6.950 412 HG2 LYS 68 HG2 LYS 68 7.602 6.297 8.838 413 HG3 LYS 68 HG1 LYS 68 9.336 6.324 8.510 414 HD2 LYS 68 HD2 LYS 68 9.352 8.750 8.880 415 HD3 LYS 68 HD1 LYS 68 7.625 8.700 9.236 416 HE2 LYS 68 HE2 LYS 68 8.901 8.747 11.297 417 HE3 LYS 68 HE1 LYS 68 8.072 7.202 11.128 418 HZ1 LYS 68 HZ1 LYS 68 10.349 6.922 11.891 419 HZ2 LYS 68 HZ2 LYS 68 10.934 7.692 10.506 420 HZ3 LYS 68 HZ3 LYS 68 10.134 6.208 10.374 421 H LYS 69 HN LYS 69 9.161 6.819 4.074 422 HA LYS 69 HA LYS 69 6.827 7.784 2.684 423 HB2 LYS 69 HB2 LYS 69 8.623 8.320 0.873 424 HB3 LYS 69 HB1 LYS 69 8.534 9.282 2.339 425 HG2 LYS 69 HG2 LYS 69 10.379 8.070 3.290 426 HG3 LYS 69 HG1 LYS 69 10.431 6.993 1.896 427 HD2 LYS 69 HD2 LYS 69 12.172 8.680 1.721 428 HD3 LYS 69 HD1 LYS 69 10.970 8.909 0.452 429 HE2 LYS 69 HE2 LYS 69 11.551 11.058 1.350 430 HE3 LYS 69 HE1 LYS 69 9.907 10.669 1.849 431 HZ1 LYS 69 HZ1 LYS 69 10.789 9.991 4.012 432 HZ2 LYS 69 HZ2 LYS 69 11.143 11.605 3.674 433 HZ3 LYS 69 HZ3 LYS 69 12.349 10.431 3.527 434 H ALA 70 HN ALA 70 8.778 4.949 2.717 435 HA ALA 70 HA ALA 70 8.164 3.848 0.242 436 HB1 ALA 70 HB1 ALA 70 8.526 1.675 1.281 437 HB2 ALA 70 HB2 ALA 70 8.391 2.403 2.882 438 HB3 ALA 70 HB3 ALA 70 9.738 2.834 1.827 439 H LYS 71 HN LYS 71 6.425 3.237 3.309 440 HA LYS 71 HA LYS 71 4.159 2.027 2.327 441 HB2 LYS 71 HB2 LYS 71 4.320 3.985 4.627 442 HB3 LYS 71 HB1 LYS 71 3.043 2.804 4.366 443 HG2 LYS 71 HG2 LYS 71 4.611 0.991 4.685 444 HG3 LYS 71 HG1 LYS 71 5.939 2.142 4.850 445 HD2 LYS 71 HD2 LYS 71 4.815 3.090 6.839 446 HD3 LYS 71 HD1 LYS 71 3.567 1.851 6.695 447 HE2 LYS 71 HE2 LYS 71 5.237 1.220 8.356 448 HE3 LYS 71 HE1 LYS 71 5.256 0.112 6.985 449 HZ1 LYS 71 HZ1 LYS 71 7.147 2.362 7.388 450 HZ2 LYS 71 HZ2 LYS 71 7.186 1.248 6.116 451 HZ3 LYS 71 HZ3 LYS 71 7.490 0.736 7.698 452 H ASP 72 HN ASP 72 4.736 5.480 2.852 453 HA ASP 72 HA ASP 72 2.385 6.576 2.007 454 HB2 ASP 72 HB2 ASP 72 4.195 7.920 2.902 455 HB3 ASP 72 HB1 ASP 72 5.183 7.584 1.484 456 H SER 73 HN SER 73 5.140 5.705 -0.115 457 HA SER 73 HA SER 73 3.993 6.633 -2.491 458 HB2 SER 73 HB2 SER 73 6.381 6.157 -2.288 459 HB3 SER 73 HB1 SER 73 6.040 4.445 -2.035 460 HG SER 73 HG SER 73 5.151 5.771 -4.362 461 H ALA 74 HN ALA 74 3.884 3.429 -0.959 462 HA ALA 74 HA ALA 74 2.537 2.177 -3.143 463 HB1 ALA 74 HB1 ALA 74 2.272 0.303 -1.685 464 HB2 ALA 74 HB2 ALA 74 2.564 1.301 -0.259 465 HB3 ALA 74 HB3 ALA 74 3.874 0.989 -1.404 466 H ALA 75 HN ALA 75 1.478 3.428 -0.029 467 HA ALA 75 HA ALA 75 -1.227 2.859 -0.161 468 HB1 ALA 75 HB1 ALA 75 -1.547 4.633 1.480 469 HB2 ALA 75 HB2 ALA 75 0.071 5.247 1.139 470 HB3 ALA 75 HB3 ALA 75 -0.133 3.652 1.861 471 H VAL 76 HN VAL 76 0.513 5.574 -1.662 472 HA VAL 76 HA VAL 76 -1.855 7.038 -2.268 473 HB VAL 76 HB VAL 76 0.580 7.902 -2.136 474 HG11 VAL 76 HG11 VAL 76 1.555 6.481 -3.801 475 HG12 VAL 76 HG12 VAL 76 1.644 8.161 -4.338 476 HG13 VAL 76 HG13 VAL 76 0.425 7.078 -5.013 477 HG21 VAL 76 HG21 VAL 76 -1.325 8.860 -4.265 478 HG22 VAL 76 HG22 VAL 76 0.010 9.795 -3.594 479 HG23 VAL 76 HG23 VAL 76 -1.340 9.322 -2.563 480 H LEU 77 HN LEU 77 -0.056 4.533 -3.836 481 HA LEU 77 HA LEU 77 -1.452 4.723 -6.342 482 HB2 LEU 77 HB2 LEU 77 0.191 2.471 -5.176 483 HB3 LEU 77 HB1 LEU 77 -0.352 2.587 -6.835 484 HG LEU 77 HG LEU 77 1.575 4.490 -5.505 485 HD11 LEU 77 HD11 LEU 77 2.052 2.314 -7.534 486 HD12 LEU 77 HD12 LEU 77 2.540 2.276 -5.840 487 HD13 LEU 77 HD13 LEU 77 3.256 3.456 -6.938 488 HD21 LEU 77 HD21 LEU 77 0.271 5.586 -7.233 489 HD22 LEU 77 HD22 LEU 77 0.634 4.282 -8.362 490 HD23 LEU 77 HD23 LEU 77 1.926 5.334 -7.786 491 H LEU 78 HN LEU 78 -1.714 2.979 -3.351 492 HA LEU 78 HA LEU 78 -3.800 1.206 -3.991 493 HB2 LEU 78 HB2 LEU 78 -2.514 0.965 -1.989 494 HB3 LEU 78 HB1 LEU 78 -2.964 2.565 -1.448 495 HG LEU 78 HG LEU 78 -5.345 1.715 -1.309 496 HD11 LEU 78 HD11 LEU 78 -5.000 -0.267 -2.729 497 HD12 LEU 78 HD12 LEU 78 -5.657 -0.677 -1.146 498 HD13 LEU 78 HD13 LEU 78 -3.949 -0.952 -1.489 499 HD21 LEU 78 HD21 LEU 78 -3.751 2.077 0.589 500 HD22 LEU 78 HD22 LEU 78 -3.337 0.367 0.486 501 HD23 LEU 78 HD23 LEU 78 -4.987 0.850 0.887 502 H LEU 79 HN LEU 79 -3.755 4.567 -2.982 503 HA LEU 79 HA LEU 79 -6.513 4.927 -2.638 504 HB2 LEU 79 HB2 LEU 79 -4.180 6.669 -3.035 505 HB3 LEU 79 HB1 LEU 79 -5.709 7.364 -3.526 506 HG LEU 79 HG LEU 79 -5.123 7.975 -1.222 507 HD11 LEU 79 HD11 LEU 79 -7.236 7.383 -0.175 508 HD12 LEU 79 HD12 LEU 79 -7.498 6.130 -1.386 509 HD13 LEU 79 HD13 LEU 79 -7.474 7.826 -1.865 510 HD21 LEU 79 HD21 LEU 79 -3.860 5.942 -0.651 511 HD22 LEU 79 HD22 LEU 79 -5.371 5.030 -0.626 512 HD23 LEU 79 HD23 LEU 79 -5.100 6.319 0.547 513 H GLU 80 HN GLU 80 -4.630 4.615 -5.538 514 HA GLU 80 HA GLU 80 -6.543 5.699 -7.347 515 HB2 GLU 80 HB2 GLU 80 -4.530 3.497 -7.840 516 HB3 GLU 80 HB1 GLU 80 -5.350 4.456 -9.068 517 HG2 GLU 80 HG2 GLU 80 -4.196 6.458 -8.237 518 HG3 GLU 80 HG1 GLU 80 -3.343 5.455 -7.063 519 H LEU 81 HN LEU 81 -5.981 2.574 -5.907 520 HA LEU 81 HA LEU 81 -7.882 1.088 -7.400 521 HB2 LEU 81 HB2 LEU 81 -5.861 0.534 -5.666 522 HB3 LEU 81 HB1 LEU 81 -7.252 0.280 -4.641 523 HG LEU 81 HG LEU 81 -6.877 -1.080 -7.293 524 HD11 LEU 81 HD11 LEU 81 -5.068 -1.670 -5.755 525 HD12 LEU 81 HD12 LEU 81 -6.155 -3.032 -6.038 526 HD13 LEU 81 HD13 LEU 81 -6.259 -2.116 -4.534 527 HD21 LEU 81 HD21 LEU 81 -8.563 -2.640 -6.412 528 HD22 LEU 81 HD22 LEU 81 -9.186 -0.995 -6.546 529 HD23 LEU 81 HD23 LEU 81 -8.719 -1.635 -4.970 530 H LEU 82 HN LEU 82 -7.956 2.933 -4.467 531 HA LEU 82 HA LEU 82 -10.693 2.385 -3.905 532 HB2 LEU 82 HB2 LEU 82 -8.543 4.045 -2.713 533 HB3 LEU 82 HB1 LEU 82 -10.200 4.465 -2.326 534 HG LEU 82 HG LEU 82 -10.583 2.440 -1.224 535 HD11 LEU 82 HD11 LEU 82 -8.016 1.377 -2.380 536 HD12 LEU 82 HD12 LEU 82 -9.647 0.922 -2.875 537 HD13 LEU 82 HD13 LEU 82 -9.076 0.526 -1.254 538 HD21 LEU 82 HD21 LEU 82 -7.737 3.220 -0.633 539 HD22 LEU 82 HD22 LEU 82 -8.798 2.300 0.433 540 HD23 LEU 82 HD23 LEU 82 -9.181 3.975 0.041 541 H ASN 83 HN ASN 83 -9.284 4.290 -6.192 542 HA ASN 83 HA ASN 83 -11.564 6.151 -6.189 543 HB2 ASN 83 HB2 ASN 83 -9.389 7.285 -6.080 544 HB3 ASN 83 HB1 ASN 83 -8.863 6.435 -7.528 545 HD21 ASN 83 HD21 ASN 83 -11.004 8.879 -6.262 546 HD22 ASN 83 HD22 ASN 83 -11.326 9.660 -7.771 547 H LYS 84 HN LYS 84 -10.138 3.511 -7.657 548 HA LYS 84 HA LYS 84 -12.024 3.533 -9.877 549 HB2 LYS 84 HB2 LYS 84 -9.025 3.457 -10.207 550 HB3 LYS 84 HB1 LYS 84 -10.124 2.851 -11.437 551 HG2 LYS 84 HG2 LYS 84 -11.081 5.019 -11.740 552 HG3 LYS 84 HG1 LYS 84 -10.170 5.656 -10.370 553 HD2 LYS 84 HD2 LYS 84 -8.078 5.245 -11.572 554 HD3 LYS 84 HD1 LYS 84 -8.986 4.583 -12.933 555 HE2 LYS 84 HE2 LYS 84 -8.397 6.840 -13.453 556 HE3 LYS 84 HE1 LYS 84 -10.131 6.776 -13.154 557 HZ1 LYS 84 HZ1 LYS 84 -9.724 7.622 -10.913 558 HZ2 LYS 84 HZ2 LYS 84 -9.152 8.688 -12.096 559 HZ3 LYS 84 HZ3 LYS 84 -8.067 7.713 -11.243 560 H THR 85 HN THR 85 -12.185 1.322 -10.834 561 HA THR 85 HA THR 85 -11.174 -0.891 -9.459 562 HB THR 85 HB THR 85 -13.623 -1.282 -8.342 563 HG1 THR 85 HG1 THR 85 -13.023 1.396 -7.640 564 HG21 THR 85 HG21 THR 85 -12.563 -0.851 -6.183 565 HG22 THR 85 HG22 THR 85 -11.272 0.057 -6.974 566 HG23 THR 85 HG23 THR 85 -11.442 -1.678 -7.265 Start of MODEL 5 1 H1 ASN 15 HT1 ASN 15 -6.616 5.097 4.579 2 H2 ASN 15 HT2 ASN 15 -5.315 4.504 5.474 3 H3 ASN 15 HT3 ASN 15 -6.142 5.879 6.002 4 HA ASN 15 HA ASN 15 -7.253 3.143 5.811 5 HB2 ASN 15 HB2 ASN 15 -7.400 3.380 8.330 6 HB3 ASN 15 HB1 ASN 15 -5.777 3.197 7.678 7 HD21 ASN 15 HD21 ASN 15 -4.908 4.112 9.552 8 HD22 ASN 15 HD22 ASN 15 -4.980 5.818 9.849 9 H ASP 16 HN ASP 16 -7.895 6.480 5.721 10 HA ASP 16 HA ASP 16 -10.340 6.447 7.215 11 HB2 ASP 16 HB2 ASP 16 -10.569 8.782 6.343 12 HB3 ASP 16 HB1 ASP 16 -9.059 8.475 7.192 13 H ILE 17 HN ILE 17 -9.524 6.559 3.730 14 HA ILE 17 HA ILE 17 -12.181 6.531 2.822 15 HB ILE 17 HB ILE 17 -9.663 5.519 1.509 16 HG12 ILE 17 HG12 ILE 17 -10.208 7.494 -0.015 17 HG13 ILE 17 HG11 ILE 17 -11.386 7.967 1.201 18 HG21 ILE 17 HG21 ILE 17 -11.520 4.201 0.646 19 HG22 ILE 17 HG22 ILE 17 -10.933 5.326 -0.579 20 HG23 ILE 17 HG23 ILE 17 -12.421 5.676 0.299 21 HD11 ILE 17 HD11 ILE 17 -8.435 7.673 1.640 22 HD12 ILE 17 HD12 ILE 17 -9.629 8.147 2.851 23 HD13 ILE 17 HD13 ILE 17 -9.320 9.190 1.459 24 H CYS 18 HN CYS 18 -9.968 3.974 3.739 25 HA CYS 18 HA CYS 18 -11.536 1.778 2.907 26 HB2 CYS 18 HB2 CYS 18 -9.478 1.940 5.124 27 HB3 CYS 18 HB1 CYS 18 -10.072 0.457 4.390 28 HG CYS 18 HG CYS 18 -8.750 0.618 2.094 29 H LEU 19 HN LEU 19 -11.251 3.560 5.898 30 HA LEU 19 HA LEU 19 -12.897 1.952 7.516 31 HB2 LEU 19 HB2 LEU 19 -11.290 3.719 8.229 32 HB3 LEU 19 HB1 LEU 19 -12.444 4.917 7.706 33 HG LEU 19 HG LEU 19 -14.057 4.090 9.378 34 HD11 LEU 19 HD11 LEU 19 -13.285 2.539 11.121 35 HD12 LEU 19 HD12 LEU 19 -11.794 2.281 10.216 36 HD13 LEU 19 HD13 LEU 19 -13.339 1.779 9.531 37 HD21 LEU 19 HD21 LEU 19 -12.914 4.976 11.328 38 HD22 LEU 19 HD22 LEU 19 -12.522 5.934 9.898 39 HD23 LEU 19 HD23 LEU 19 -11.356 4.772 10.529 40 H ARG 20 HN ARG 20 -13.535 4.846 5.583 41 HA ARG 20 HA ARG 20 -16.250 5.117 6.264 42 HB2 ARG 20 HB2 ARG 20 -14.763 6.854 5.211 43 HB3 ARG 20 HB1 ARG 20 -14.933 5.983 3.693 44 HG2 ARG 20 HG2 ARG 20 -17.379 6.327 3.821 45 HG3 ARG 20 HG1 ARG 20 -17.130 7.300 5.273 46 HD2 ARG 20 HD2 ARG 20 -16.075 7.864 2.507 47 HD3 ARG 20 HD1 ARG 20 -17.336 8.752 3.361 48 HE ARG 20 HE ARG 20 -15.100 8.852 4.975 49 HH11 ARG 20 HH11 ARG 20 -15.978 9.920 1.759 50 HH12 ARG 20 HH12 ARG 20 -14.855 11.244 1.757 51 HH21 ARG 20 HH21 ARG 20 -13.621 10.573 4.969 52 HH22 ARG 20 HH22 ARG 20 -13.504 11.605 3.578 53 H LYS 21 HN LYS 21 -14.598 3.286 3.765 54 HA LYS 21 HA LYS 21 -16.983 2.557 2.358 55 HB2 LYS 21 HB2 LYS 21 -14.116 1.677 2.255 56 HB3 LYS 21 HB1 LYS 21 -15.357 0.827 1.338 57 HG2 LYS 21 HG2 LYS 21 -14.721 3.761 1.111 58 HG3 LYS 21 HG1 LYS 21 -14.191 2.504 -0.008 59 HD2 LYS 21 HD2 LYS 21 -17.091 2.907 0.619 60 HD3 LYS 21 HD1 LYS 21 -16.279 3.869 -0.603 61 HE2 LYS 21 HE2 LYS 21 -16.279 0.863 -0.594 62 HE3 LYS 21 HE1 LYS 21 -17.483 1.826 -1.449 63 HZ1 LYS 21 HZ1 LYS 21 -14.555 1.969 -1.921 64 HZ2 LYS 21 HZ2 LYS 21 -15.752 2.798 -2.780 65 HZ3 LYS 21 HZ3 LYS 21 -15.652 1.114 -2.883 66 H ASN 22 HN ASN 22 -16.035 1.807 5.316 67 HA ASN 22 HA ASN 22 -16.631 0.275 6.862 68 HB2 ASN 22 HB2 ASN 22 -18.853 0.405 5.699 69 HB3 ASN 22 HB1 ASN 22 -18.364 -0.977 4.727 70 HD21 ASN 22 HD21 ASN 22 -19.962 -2.316 5.485 71 HD22 ASN 22 HD22 ASN 22 -19.990 -2.929 7.102 72 H TRP 23 HN TRP 23 -14.319 -0.074 5.332 73 HA TRP 23 HA TRP 23 -14.080 -2.997 5.176 74 HB2 TRP 23 HB2 TRP 23 -12.175 -0.824 4.272 75 HB3 TRP 23 HB1 TRP 23 -11.890 -2.548 4.107 76 HD1 TRP 23 HD1 TRP 23 -15.019 -3.077 3.052 77 HE1 TRP 23 HE1 TRP 23 -15.483 -2.516 0.568 78 HE3 TRP 23 HE3 TRP 23 -11.091 0.050 2.189 79 HZ2 TRP 23 HZ2 TRP 23 -14.293 -0.966 -1.483 80 HZ3 TRP 23 HZ3 TRP 23 -10.818 1.036 -0.039 81 HH2 TRP 23 HH2 TRP 23 -12.392 0.542 -1.837 82 HA PRO 24 HA PRO 24 -11.573 -2.944 8.905 83 HB2 PRO 24 HB2 PRO 24 -9.918 -5.024 8.420 84 HB3 PRO 24 HB1 PRO 24 -11.614 -5.245 8.861 85 HG2 PRO 24 HG2 PRO 24 -10.333 -5.332 6.164 86 HG3 PRO 24 HG1 PRO 24 -11.566 -6.403 6.850 87 HD2 PRO 24 HD2 PRO 24 -12.155 -4.392 5.122 88 HD3 PRO 24 HD1 PRO 24 -13.280 -4.931 6.384 89 H MET 25 HN MET 25 -8.958 -3.319 9.295 90 HA MET 25 HA MET 25 -7.794 -1.088 7.954 91 HB2 MET 25 HB2 MET 25 -6.594 -3.081 9.873 92 HB3 MET 25 HB1 MET 25 -5.860 -1.559 9.386 93 HG2 MET 25 HG2 MET 25 -8.523 -1.744 10.755 94 HG3 MET 25 HG1 MET 25 -7.005 -1.556 11.610 95 HE1 MET 25 HE1 MET 25 -9.350 1.669 9.367 96 HE2 MET 25 HE2 MET 25 -9.969 0.197 10.114 97 HE3 MET 25 HE3 MET 25 -9.081 0.109 8.596 98 HA PRO 26 HA PRO 26 -5.947 -3.302 4.633 99 HB2 PRO 26 HB2 PRO 26 -3.959 -1.239 4.312 100 HB3 PRO 26 HB1 PRO 26 -5.379 -1.558 3.324 101 HG2 PRO 26 HG2 PRO 26 -5.105 0.660 4.890 102 HG3 PRO 26 HG1 PRO 26 -6.670 -0.050 4.457 103 HD2 PRO 26 HD2 PRO 26 -5.106 -0.305 6.995 104 HD3 PRO 26 HD1 PRO 26 -6.857 -0.125 6.757 105 H SER 27 HN SER 27 -3.949 -4.168 3.854 106 HA SER 27 HA SER 27 -2.186 -5.038 5.976 107 HB2 SER 27 HB2 SER 27 -2.939 -6.628 4.258 108 HB3 SER 27 HB1 SER 27 -2.179 -5.644 3.014 109 HG SER 27 HG SER 27 -0.371 -6.600 3.435 110 H TYR 28 HN TYR 28 0.002 -4.585 6.139 111 HA TYR 28 HA TYR 28 1.215 -2.784 4.244 112 HB2 TYR 28 HB2 TYR 28 0.716 -2.021 7.116 113 HB3 TYR 28 HB1 TYR 28 2.035 -1.318 6.190 114 HD1 TYR 28 HD1 TYR 28 1.577 0.210 4.318 115 HD2 TYR 28 HD2 TYR 28 -1.585 -1.411 6.675 116 HE1 TYR 28 HE1 TYR 28 0.048 1.907 3.421 117 HE2 TYR 28 HE2 TYR 28 -3.120 0.290 5.784 118 HH TYR 28 HH TYR 28 -2.349 2.246 3.103 119 H ARG 29 HN ARG 29 3.022 -3.917 3.785 120 HA ARG 29 HA ARG 29 4.848 -4.656 5.882 121 HB2 ARG 29 HB2 ARG 29 3.294 -6.573 5.845 122 HB3 ARG 29 HB1 ARG 29 3.628 -6.788 4.136 123 HG2 ARG 29 HG2 ARG 29 6.033 -7.139 4.744 124 HG3 ARG 29 HG1 ARG 29 5.523 -7.161 6.433 125 HD2 ARG 29 HD2 ARG 29 4.631 -9.033 4.252 126 HD3 ARG 29 HD1 ARG 29 5.696 -9.418 5.600 127 HE ARG 29 HE ARG 29 3.126 -8.443 6.432 128 HH11 ARG 29 HH11 ARG 29 4.926 -11.272 5.437 129 HH12 ARG 29 HH12 ARG 29 3.840 -12.390 6.198 130 HH21 ARG 29 HH21 ARG 29 1.693 -9.901 7.437 131 HH22 ARG 29 HH22 ARG 29 1.992 -11.608 7.338 132 H CYS 30 HN CYS 30 6.857 -4.351 5.139 133 HA CYS 30 HA CYS 30 7.394 -3.573 2.494 134 HB2 CYS 30 HB2 CYS 30 9.306 -4.550 4.618 135 HB3 CYS 30 HB1 CYS 30 9.762 -3.696 3.148 136 HG CYS 30 HG CYS 30 9.990 -1.937 5.285 137 H VAL 31 HN VAL 31 7.668 -4.740 0.716 138 HA VAL 31 HA VAL 31 7.824 -7.623 0.935 139 HB VAL 31 HB VAL 31 7.663 -7.642 -1.515 140 HG11 VAL 31 HG11 VAL 31 5.610 -5.928 -0.134 141 HG12 VAL 31 HG12 VAL 31 5.635 -7.690 -0.184 142 HG13 VAL 31 HG13 VAL 31 5.365 -6.768 -1.665 143 HG21 VAL 31 HG21 VAL 31 8.807 -5.566 -2.039 144 HG22 VAL 31 HG22 VAL 31 7.501 -4.645 -1.295 145 HG23 VAL 31 HG23 VAL 31 7.196 -5.586 -2.754 146 H LYS 32 HN LYS 32 9.810 -4.902 -0.025 147 HA LYS 32 HA LYS 32 12.152 -6.661 0.047 148 HB2 LYS 32 HB2 LYS 32 11.490 -6.079 -2.318 149 HB3 LYS 32 HB1 LYS 32 11.745 -4.396 -1.897 150 HG2 LYS 32 HG2 LYS 32 14.105 -4.956 -1.346 151 HG3 LYS 32 HG1 LYS 32 13.808 -6.571 -1.993 152 HD2 LYS 32 HD2 LYS 32 13.086 -5.486 -4.133 153 HD3 LYS 32 HD1 LYS 32 13.632 -3.948 -3.466 154 HE2 LYS 32 HE2 LYS 32 15.361 -4.858 -4.871 155 HE3 LYS 32 HE1 LYS 32 15.889 -4.912 -3.189 156 HZ1 LYS 32 HZ1 LYS 32 14.755 -7.202 -4.699 157 HZ2 LYS 32 HZ2 LYS 32 15.317 -7.245 -3.106 158 HZ3 LYS 32 HZ3 LYS 32 16.397 -6.963 -4.374 159 H GLU 33 HN GLU 33 13.359 -5.947 1.667 160 HA GLU 33 HA GLU 33 13.913 -3.116 1.991 161 HB2 GLU 33 HB2 GLU 33 11.883 -3.486 3.348 162 HB3 GLU 33 HB1 GLU 33 12.720 -4.744 4.244 163 HG2 GLU 33 HG2 GLU 33 14.392 -2.979 4.914 164 HG3 GLU 33 HG1 GLU 33 13.276 -1.793 4.237 165 H GLY 34 HN GLY 34 15.983 -2.808 2.576 166 HA2 GLY 34 HA2 GLY 34 18.076 -3.165 3.425 167 HA3 GLY 34 HA1 GLY 34 17.282 -4.152 4.637 168 H GLY 35 HN GLY 35 18.145 -4.383 1.186 169 HA2 GLY 35 HA2 GLY 35 18.838 -7.196 1.612 170 HA3 GLY 35 HA1 GLY 35 18.714 -6.387 0.059 171 HA PRO 36 HA PRO 36 23.213 -6.908 0.945 172 HB2 PRO 36 HB2 PRO 36 23.366 -7.230 -1.971 173 HB3 PRO 36 HB1 PRO 36 23.905 -8.322 -0.697 174 HG2 PRO 36 HG2 PRO 36 21.784 -8.892 -2.235 175 HG3 PRO 36 HG1 PRO 36 21.848 -9.354 -0.523 176 HD2 PRO 36 HD2 PRO 36 20.443 -7.035 -1.805 177 HD3 PRO 36 HD1 PRO 36 19.860 -8.148 -0.548 178 H ALA 37 HN ALA 37 22.775 -4.495 1.323 179 HA ALA 37 HA ALA 37 23.671 -2.418 1.155 180 HB1 ALA 37 HB1 ALA 37 25.753 -3.529 0.540 181 HB2 ALA 37 HB2 ALA 37 25.562 -1.997 -0.313 182 HB3 ALA 37 HB3 ALA 37 25.263 -3.518 -1.154 183 H HIS 38 HN HIS 38 23.372 -3.482 -2.242 184 HA HIS 38 HA HIS 38 22.463 -0.921 -3.125 185 HB2 HIS 38 HB2 HIS 38 22.184 -1.976 -5.306 186 HB3 HIS 38 HB1 HIS 38 23.711 -2.469 -4.593 187 HD1 HIS 38 HD1 HIS 38 23.991 -4.962 -3.988 188 HD2 HIS 38 HD2 HIS 38 20.268 -4.028 -5.590 189 HE1 HIS 38 HE1 HIS 38 22.888 -7.167 -4.472 190 HE2 HIS 38 HE2 HIS 38 20.736 -6.570 -5.640 191 H ALA 39 HN ALA 39 20.862 -2.790 -1.175 192 HA ALA 39 HA ALA 39 18.271 -2.302 -2.460 193 HB1 ALA 39 HB1 ALA 39 17.427 -4.405 -1.510 194 HB2 ALA 39 HB2 ALA 39 19.048 -4.771 -0.921 195 HB3 ALA 39 HB3 ALA 39 18.743 -4.670 -2.654 196 H LYS 40 HN LYS 40 19.634 -0.608 -0.597 197 HA LYS 40 HA LYS 40 17.933 -0.812 1.747 198 HB2 LYS 40 HB2 LYS 40 20.230 0.907 0.960 199 HB3 LYS 40 HB1 LYS 40 19.164 1.419 2.226 200 HG2 LYS 40 HG2 LYS 40 20.635 -1.196 2.213 201 HG3 LYS 40 HG1 LYS 40 21.205 0.261 3.028 202 HD2 LYS 40 HD2 LYS 40 18.564 -1.079 3.594 203 HD3 LYS 40 HD1 LYS 40 20.033 -1.359 4.523 204 HE2 LYS 40 HE2 LYS 40 18.697 1.322 4.166 205 HE3 LYS 40 HE1 LYS 40 18.507 0.283 5.573 206 HZ1 LYS 40 HZ1 LYS 40 21.063 1.472 4.639 207 HZ2 LYS 40 HZ2 LYS 40 20.879 0.480 5.994 208 HZ3 LYS 40 HZ3 LYS 40 20.150 2.007 5.957 209 H ARG 41 HN ARG 41 17.599 0.021 -1.293 210 HA ARG 41 HA ARG 41 15.631 2.106 -0.838 211 HB2 ARG 41 HB2 ARG 41 14.908 1.195 -3.233 212 HB3 ARG 41 HB1 ARG 41 16.267 2.289 -3.046 213 HG2 ARG 41 HG2 ARG 41 17.819 0.439 -3.151 214 HG3 ARG 41 HG1 ARG 41 16.485 -0.713 -3.190 215 HD2 ARG 41 HD2 ARG 41 15.790 0.070 -5.340 216 HD3 ARG 41 HD1 ARG 41 16.942 1.404 -5.282 217 HE ARG 41 HE ARG 41 18.681 -0.467 -5.213 218 HH11 ARG 41 HH11 ARG 41 15.604 -0.756 -6.869 219 HH12 ARG 41 HH12 ARG 41 16.213 -1.843 -8.070 220 HH21 ARG 41 HH21 ARG 41 19.483 -1.898 -6.806 221 HH22 ARG 41 HH22 ARG 41 18.414 -2.496 -8.034 222 H PHE 42 HN PHE 42 13.492 1.694 -0.440 223 HA PHE 42 HA PHE 42 12.984 -1.130 0.196 224 HB2 PHE 42 HB2 PHE 42 11.644 1.235 1.507 225 HB3 PHE 42 HB1 PHE 42 11.668 -0.436 2.057 226 HD1 PHE 42 HD1 PHE 42 14.587 -1.040 1.770 227 HD2 PHE 42 HD2 PHE 42 12.567 2.389 3.280 228 HE1 PHE 42 HE1 PHE 42 16.550 -0.506 3.170 229 HE2 PHE 42 HE2 PHE 42 14.502 2.913 4.691 230 HZ PHE 42 HZ PHE 42 16.494 1.466 4.647 231 H THR 43 HN THR 43 11.263 -2.098 -0.567 232 HA THR 43 HA THR 43 9.351 -0.514 -2.147 233 HB THR 43 HB THR 43 10.289 -3.317 -2.814 234 HG1 THR 43 HG1 THR 43 11.686 -1.113 -3.066 235 HG21 THR 43 HG21 THR 43 8.781 -1.246 -4.412 236 HG22 THR 43 HG22 THR 43 8.102 -2.712 -3.703 237 HG23 THR 43 HG23 THR 43 9.290 -2.827 -5.002 238 H PHE 44 HN PHE 44 7.179 -0.996 -1.662 239 HA PHE 44 HA PHE 44 6.669 -3.310 0.015 240 HB2 PHE 44 HB2 PHE 44 6.828 -1.973 1.848 241 HB3 PHE 44 HB1 PHE 44 6.782 -0.504 0.887 242 HD1 PHE 44 HD2 PHE 44 4.591 -3.195 2.191 243 HD2 PHE 44 HD1 PHE 44 4.942 0.850 0.963 244 HE1 PHE 44 HE2 PHE 44 2.285 -2.788 2.890 245 HE2 PHE 44 HE1 PHE 44 2.636 1.267 1.685 246 HZ PHE 44 HZ PHE 44 1.304 -0.556 2.658 247 H GLY 45 HN GLY 45 4.371 -3.850 0.079 248 HA2 GLY 45 HA2 GLY 45 2.780 -2.474 -1.991 249 HA3 GLY 45 HA1 GLY 45 2.847 -4.228 -1.895 250 H VAL 46 HN VAL 46 0.619 -2.190 -1.565 251 HA VAL 46 HA VAL 46 -0.182 -2.764 1.222 252 HB VAL 46 HB VAL 46 -1.725 -0.904 -0.533 253 HG11 VAL 46 HG11 VAL 46 -2.632 -1.389 1.624 254 HG12 VAL 46 HG12 VAL 46 -2.053 0.277 1.621 255 HG13 VAL 46 HG13 VAL 46 -1.107 -0.984 2.408 256 HG21 VAL 46 HG21 VAL 46 -0.312 0.990 0.175 257 HG22 VAL 46 HG22 VAL 46 0.500 -0.126 -0.922 258 HG23 VAL 46 HG23 VAL 46 0.864 -0.166 0.801 259 H ARG 47 HN ARG 47 -2.431 -3.425 1.603 260 HA ARG 47 HA ARG 47 -3.877 -4.410 -0.729 261 HB2 ARG 47 HB2 ARG 47 -2.326 -6.135 0.688 262 HB3 ARG 47 HB1 ARG 47 -3.786 -6.153 1.664 263 HG2 ARG 47 HG2 ARG 47 -4.123 -7.923 0.265 264 HG3 ARG 47 HG1 ARG 47 -4.992 -6.622 -0.551 265 HD2 ARG 47 HD2 ARG 47 -3.687 -7.868 -2.163 266 HD3 ARG 47 HD1 ARG 47 -3.026 -6.245 -1.988 267 HE ARG 47 HE ARG 47 -1.114 -7.134 -1.031 268 HH11 ARG 47 HH11 ARG 47 -3.517 -9.640 -1.485 269 HH12 ARG 47 HH12 ARG 47 -2.406 -10.937 -1.195 270 HH21 ARG 47 HH21 ARG 47 0.368 -8.833 -0.689 271 HH22 ARG 47 HH22 ARG 47 -0.193 -10.480 -0.744 272 H VAL 48 HN VAL 48 -6.108 -4.394 -0.362 273 HA VAL 48 HA VAL 48 -7.018 -3.620 2.337 274 HB VAL 48 HB VAL 48 -8.062 -2.442 -0.255 275 HG11 VAL 48 HG11 VAL 48 -9.427 -1.003 1.193 276 HG12 VAL 48 HG12 VAL 48 -8.866 -1.906 2.600 277 HG13 VAL 48 HG13 VAL 48 -9.842 -2.708 1.369 278 HG21 VAL 48 HG21 VAL 48 -6.667 -1.009 1.989 279 HG22 VAL 48 HG22 VAL 48 -7.085 -0.381 0.395 280 HG23 VAL 48 HG23 VAL 48 -5.829 -1.609 0.563 281 H ASN 49 HN ASN 49 -9.215 -4.290 2.842 282 HA ASN 49 HA ASN 49 -9.984 -6.675 1.324 283 HB2 ASN 49 HB2 ASN 49 -9.664 -6.894 3.785 284 HB3 ASN 49 HB1 ASN 49 -10.982 -5.752 4.024 285 HD21 ASN 49 HD21 ASN 49 -12.224 -7.267 5.131 286 HD22 ASN 49 HD22 ASN 49 -13.010 -8.575 4.320 287 H THR 50 HN THR 50 -10.858 -5.610 -0.351 288 HA THR 50 HA THR 50 -13.025 -3.730 -0.098 289 HB THR 50 HB THR 50 -13.514 -4.196 -2.525 290 HG1 THR 50 HG1 THR 50 -11.410 -6.046 -2.098 291 HG21 THR 50 HG21 THR 50 -11.443 -3.117 -3.332 292 HG22 THR 50 HG22 THR 50 -10.701 -3.426 -1.760 293 HG23 THR 50 HG23 THR 50 -12.097 -2.354 -1.881 294 H SER 51 HN SER 51 -14.842 -4.257 0.818 295 HA SER 51 HA SER 51 -15.623 -6.762 1.578 296 HB2 SER 51 HB2 SER 51 -16.450 -4.559 2.447 297 HB3 SER 51 HB1 SER 51 -17.520 -4.475 1.051 298 HG SER 51 HG SER 51 -17.546 -6.745 2.721 299 H ASP 52 HN ASP 52 -16.216 -5.272 -1.532 300 HA ASP 52 HA ASP 52 -18.289 -7.179 -2.208 301 HB2 ASP 52 HB2 ASP 52 -18.562 -5.965 -4.237 302 HB3 ASP 52 HB1 ASP 52 -18.363 -4.789 -2.944 303 H ARG 53 HN ARG 53 -14.849 -7.055 -2.489 304 HA ARG 53 HA ARG 53 -14.965 -9.302 -4.392 305 HB2 ARG 53 HB2 ARG 53 -12.920 -7.074 -4.401 306 HB3 ARG 53 HB1 ARG 53 -12.884 -8.495 -5.432 307 HG2 ARG 53 HG2 ARG 53 -14.949 -7.792 -6.500 308 HG3 ARG 53 HG1 ARG 53 -15.020 -6.381 -5.442 309 HD2 ARG 53 HD2 ARG 53 -14.110 -5.716 -7.567 310 HD3 ARG 53 HD1 ARG 53 -12.841 -5.649 -6.344 311 HE ARG 53 HE ARG 53 -12.930 -8.137 -7.778 312 HH11 ARG 53 HH11 ARG 53 -11.656 -4.880 -7.763 313 HH12 ARG 53 HH12 ARG 53 -10.335 -5.255 -8.821 314 HH21 ARG 53 HH21 ARG 53 -11.183 -8.637 -9.160 315 HH22 ARG 53 HH22 ARG 53 -10.052 -7.397 -9.598 316 H GLY 54 HN GLY 54 -13.041 -7.619 -1.956 317 HA2 GLY 54 HA2 GLY 54 -12.316 -9.062 -0.072 318 HA3 GLY 54 HA1 GLY 54 -11.739 -10.172 -1.298 319 H TRP 55 HN TRP 55 -9.698 -10.043 -0.239 320 HA TRP 55 HA TRP 55 -8.123 -7.803 0.032 321 HB2 TRP 55 HB2 TRP 55 -7.536 -10.679 -0.479 322 HB3 TRP 55 HB1 TRP 55 -6.216 -9.523 -0.626 323 HD1 TRP 55 HD1 TRP 55 -7.445 -11.773 1.850 324 HE1 TRP 55 HE1 TRP 55 -6.933 -10.975 4.247 325 HE3 TRP 55 HE3 TRP 55 -6.377 -6.896 0.859 326 HZ2 TRP 55 HZ2 TRP 55 -6.167 -8.566 5.533 327 HZ3 TRP 55 HZ3 TRP 55 -5.766 -5.408 2.703 328 HH2 TRP 55 HH2 TRP 55 -5.661 -6.212 4.987 329 H THR 56 HN THR 56 -7.419 -6.342 -1.280 330 HA THR 56 HA THR 56 -8.064 -6.353 -4.037 331 HB THR 56 HB THR 56 -6.842 -4.187 -4.097 332 HG1 THR 56 HG1 THR 56 -5.328 -4.025 -2.623 333 HG21 THR 56 HG21 THR 56 -9.195 -4.244 -3.473 334 HG22 THR 56 HG22 THR 56 -8.339 -2.999 -2.563 335 HG23 THR 56 HG23 THR 56 -8.753 -4.529 -1.791 336 H ASP 57 HN ASP 57 -6.326 -5.433 -5.599 337 HA ASP 57 HA ASP 57 -4.191 -7.304 -5.873 338 HB2 ASP 57 HB2 ASP 57 -4.722 -4.675 -7.274 339 HB3 ASP 57 HB1 ASP 57 -3.461 -5.807 -7.735 340 H GLU 58 HN GLU 58 -2.142 -7.135 -5.176 341 HA GLU 58 HA GLU 58 -1.593 -5.308 -3.117 342 HB2 GLU 58 HB2 GLU 58 -0.574 -7.495 -3.132 343 HB3 GLU 58 HB1 GLU 58 0.321 -7.110 -4.593 344 HG2 GLU 58 HG2 GLU 58 1.732 -5.630 -3.471 345 HG3 GLU 58 HG1 GLU 58 0.635 -5.483 -2.099 346 H CYS 59 HN CYS 59 -1.148 -3.323 -3.258 347 HA CYS 59 HA CYS 59 -0.250 -2.170 -5.772 348 HB2 CYS 59 HB2 CYS 59 -1.051 -0.815 -3.186 349 HB3 CYS 59 HB1 CYS 59 -0.785 -0.018 -4.735 350 HG CYS 59 HG CYS 59 -3.078 -2.476 -4.778 351 H ILE 60 HN ILE 60 1.873 -2.555 -5.997 352 HA ILE 60 HA ILE 60 3.733 -2.252 -3.820 353 HB ILE 60 HB ILE 60 4.166 -2.752 -6.773 354 HG12 ILE 60 HG12 ILE 60 2.925 -4.531 -5.525 355 HG13 ILE 60 HG11 ILE 60 4.451 -5.062 -6.222 356 HG21 ILE 60 HG21 ILE 60 6.116 -1.740 -5.765 357 HG22 ILE 60 HG22 ILE 60 6.424 -3.431 -6.160 358 HG23 ILE 60 HG23 ILE 60 6.104 -2.959 -4.493 359 HD11 ILE 60 HD11 ILE 60 4.069 -4.259 -3.362 360 HD12 ILE 60 HD12 ILE 60 5.521 -4.939 -4.086 361 HD13 ILE 60 HD13 ILE 60 4.060 -5.917 -3.955 362 H GLY 61 HN GLY 61 4.623 -0.396 -3.258 363 HA2 GLY 61 HA2 GLY 61 4.260 1.957 -4.907 364 HA3 GLY 61 HA1 GLY 61 4.929 1.910 -3.283 365 H GLU 62 HN GLU 62 6.385 3.497 -4.374 366 HA GLU 62 HA GLU 62 8.305 2.448 -6.263 367 HB2 GLU 62 HB2 GLU 62 8.217 5.092 -4.795 368 HB3 GLU 62 HB1 GLU 62 9.272 4.695 -6.145 369 HG2 GLU 62 HG2 GLU 62 7.429 4.574 -7.647 370 HG3 GLU 62 HG1 GLU 62 6.272 4.694 -6.322 371 HA PRO 63 HA PRO 63 11.386 1.246 -3.216 372 HB2 PRO 63 HB2 PRO 63 13.336 2.149 -5.246 373 HB3 PRO 63 HB1 PRO 63 13.160 0.564 -4.487 374 HG2 PRO 63 HG2 PRO 63 12.457 0.979 -7.037 375 HG3 PRO 63 HG1 PRO 63 11.546 -0.123 -5.991 376 HD2 PRO 63 HD2 PRO 63 10.878 2.662 -6.852 377 HD3 PRO 63 HD1 PRO 63 9.815 1.256 -6.646 378 H MET 64 HN MET 64 11.601 2.646 -1.564 379 HA MET 64 HA MET 64 12.452 5.399 -2.169 380 HB2 MET 64 HB2 MET 64 10.713 4.473 0.116 381 HB3 MET 64 HB1 MET 64 11.124 6.135 -0.288 382 HG2 MET 64 HG2 MET 64 9.476 4.258 -1.961 383 HG3 MET 64 HG1 MET 64 8.881 5.594 -0.989 384 HE1 MET 64 HE1 MET 64 8.958 8.044 -1.611 385 HE2 MET 64 HE2 MET 64 9.950 8.735 -2.896 386 HE3 MET 64 HE3 MET 64 10.716 8.011 -1.483 387 HA PRO 65 HA PRO 65 15.852 4.594 0.526 388 HB2 PRO 65 HB2 PRO 65 16.639 7.087 1.129 389 HB3 PRO 65 HB1 PRO 65 16.780 6.437 -0.509 390 HG2 PRO 65 HG2 PRO 65 14.705 8.268 0.631 391 HG3 PRO 65 HG1 PRO 65 15.524 8.346 -0.941 392 HD2 PRO 65 HD2 PRO 65 13.009 7.317 -0.575 393 HD3 PRO 65 HD1 PRO 65 14.094 6.830 -1.892 394 H SER 66 HN SER 66 12.952 5.305 1.784 395 HA SER 66 HA SER 66 13.895 5.045 4.494 396 HB2 SER 66 HB2 SER 66 13.932 7.451 4.329 397 HB3 SER 66 HB1 SER 66 12.346 7.476 3.567 398 HG SER 66 HG SER 66 11.961 7.944 5.663 399 H VAL 67 HN VAL 67 12.353 4.159 5.839 400 HA VAL 67 HA VAL 67 10.483 2.508 4.487 401 HB VAL 67 HB VAL 67 9.854 1.681 6.730 402 HG11 VAL 67 HG11 VAL 67 12.822 1.921 6.269 403 HG12 VAL 67 HG12 VAL 67 11.753 0.707 5.567 404 HG13 VAL 67 HG13 VAL 67 12.035 0.734 7.308 405 HG21 VAL 67 HG21 VAL 67 11.808 3.748 7.735 406 HG22 VAL 67 HG22 VAL 67 11.036 2.496 8.707 407 HG23 VAL 67 HG23 VAL 67 10.061 3.770 7.974 408 H LYS 68 HN LYS 68 10.171 5.560 6.192 409 HA LYS 68 HA LYS 68 7.428 5.492 6.705 410 HB2 LYS 68 HB2 LYS 68 9.235 7.103 7.537 411 HB3 LYS 68 HB1 LYS 68 9.031 7.936 6.002 412 HG2 LYS 68 HG2 LYS 68 6.581 8.097 6.573 413 HG3 LYS 68 HG1 LYS 68 7.051 7.555 8.182 414 HD2 LYS 68 HD2 LYS 68 8.489 9.466 8.466 415 HD3 LYS 68 HD1 LYS 68 8.190 9.979 6.804 416 HE2 LYS 68 HE2 LYS 68 5.753 10.153 7.422 417 HE3 LYS 68 HE1 LYS 68 6.244 9.920 9.098 418 HZ1 LYS 68 HZ1 LYS 68 6.004 12.260 8.545 419 HZ2 LYS 68 HZ2 LYS 68 7.169 12.116 7.329 420 HZ3 LYS 68 HZ3 LYS 68 7.606 11.898 8.945 421 H LYS 69 HN LYS 69 9.301 6.748 3.979 422 HA LYS 69 HA LYS 69 6.928 7.685 2.644 423 HB2 LYS 69 HB2 LYS 69 8.588 8.277 0.801 424 HB3 LYS 69 HB1 LYS 69 8.735 9.127 2.331 425 HG2 LYS 69 HG2 LYS 69 10.559 7.663 2.978 426 HG3 LYS 69 HG1 LYS 69 10.409 6.791 1.455 427 HD2 LYS 69 HD2 LYS 69 12.238 8.422 1.374 428 HD3 LYS 69 HD1 LYS 69 10.964 8.829 0.224 429 HE2 LYS 69 HE2 LYS 69 10.070 10.471 1.810 430 HE3 LYS 69 HE1 LYS 69 11.359 10.072 2.941 431 HZ1 LYS 69 HZ1 LYS 69 12.974 10.888 1.398 432 HZ2 LYS 69 HZ2 LYS 69 11.801 12.082 1.630 433 HZ3 LYS 69 HZ3 LYS 69 11.794 11.156 0.218 434 H ALA 70 HN ALA 70 8.838 4.840 2.693 435 HA ALA 70 HA ALA 70 8.164 3.708 0.237 436 HB1 ALA 70 HB1 ALA 70 8.537 1.551 1.312 437 HB2 ALA 70 HB2 ALA 70 8.450 2.312 2.900 438 HB3 ALA 70 HB3 ALA 70 9.776 2.708 1.804 439 H LYS 71 HN LYS 71 6.498 3.372 3.379 440 HA LYS 71 HA LYS 71 4.215 2.068 2.537 441 HB2 LYS 71 HB2 LYS 71 4.528 4.109 4.745 442 HB3 LYS 71 HB1 LYS 71 3.162 3.017 4.569 443 HG2 LYS 71 HG2 LYS 71 4.633 1.102 4.866 444 HG3 LYS 71 HG1 LYS 71 6.022 2.180 5.005 445 HD2 LYS 71 HD2 LYS 71 3.645 2.204 6.862 446 HD3 LYS 71 HD1 LYS 71 5.158 1.361 7.187 447 HE2 LYS 71 HE2 LYS 71 6.353 3.521 7.030 448 HE3 LYS 71 HE1 LYS 71 4.804 4.334 6.803 449 HZ1 LYS 71 HZ1 LYS 71 4.114 3.568 8.980 450 HZ2 LYS 71 HZ2 LYS 71 5.560 4.431 9.108 451 HZ3 LYS 71 HZ3 LYS 71 5.574 2.744 9.193 452 H ASP 72 HN ASP 72 4.715 5.573 2.943 453 HA ASP 72 HA ASP 72 2.247 6.452 2.093 454 HB2 ASP 72 HB2 ASP 72 4.966 7.686 2.025 455 HB3 ASP 72 HB1 ASP 72 3.631 8.508 1.223 456 H SER 73 HN SER 73 5.097 5.781 0.031 457 HA SER 73 HA SER 73 4.021 6.749 -2.348 458 HB2 SER 73 HB2 SER 73 6.400 6.167 -2.056 459 HB3 SER 73 HB1 SER 73 5.967 4.461 -1.949 460 HG SER 73 HG SER 73 6.186 6.098 -4.152 461 H ALA 74 HN ALA 74 3.847 3.521 -0.903 462 HA ALA 74 HA ALA 74 2.501 2.336 -3.124 463 HB1 ALA 74 HB1 ALA 74 3.848 1.113 -1.389 464 HB2 ALA 74 HB2 ALA 74 2.274 0.410 -1.755 465 HB3 ALA 74 HB3 ALA 74 2.495 1.350 -0.275 466 H ALA 75 HN ALA 75 1.482 3.583 0.005 467 HA ALA 75 HA ALA 75 -1.243 3.124 -0.097 468 HB1 ALA 75 HB1 ALA 75 -1.482 4.976 1.460 469 HB2 ALA 75 HB2 ALA 75 0.137 5.546 1.058 470 HB3 ALA 75 HB3 ALA 75 -0.075 3.996 1.872 471 H VAL 76 HN VAL 76 0.621 5.728 -1.654 472 HA VAL 76 HA VAL 76 -1.574 7.274 -2.516 473 HB VAL 76 HB VAL 76 1.174 6.972 -3.754 474 HG11 VAL 76 HG11 VAL 76 0.710 9.096 -4.890 475 HG12 VAL 76 HG12 VAL 76 -0.941 9.062 -4.271 476 HG13 VAL 76 HG13 VAL 76 -0.397 7.825 -5.404 477 HG21 VAL 76 HG21 VAL 76 1.658 9.086 -2.632 478 HG22 VAL 76 HG22 VAL 76 1.214 7.834 -1.475 479 HG23 VAL 76 HG23 VAL 76 0.048 9.080 -1.916 480 H LEU 77 HN LEU 77 0.059 4.475 -3.871 481 HA LEU 77 HA LEU 77 -1.383 4.561 -6.358 482 HB2 LEU 77 HB2 LEU 77 0.196 2.279 -5.173 483 HB3 LEU 77 HB1 LEU 77 -0.242 2.499 -6.852 484 HG LEU 77 HG LEU 77 1.719 4.167 -5.280 485 HD11 LEU 77 HD11 LEU 77 2.124 2.360 -7.653 486 HD12 LEU 77 HD12 LEU 77 2.518 1.950 -5.984 487 HD13 LEU 77 HD13 LEU 77 3.368 3.267 -6.792 488 HD21 LEU 77 HD21 LEU 77 2.136 5.334 -7.398 489 HD22 LEU 77 HD22 LEU 77 0.492 5.589 -6.814 490 HD23 LEU 77 HD23 LEU 77 0.793 4.459 -8.132 491 H LEU 78 HN LEU 78 -1.699 3.111 -3.245 492 HA LEU 78 HA LEU 78 -3.854 1.373 -3.788 493 HB2 LEU 78 HB2 LEU 78 -2.469 1.381 -1.740 494 HB3 LEU 78 HB1 LEU 78 -3.210 2.896 -1.278 495 HG LEU 78 HG LEU 78 -5.433 1.617 -1.368 496 HD11 LEU 78 HD11 LEU 78 -3.580 -0.739 -1.031 497 HD12 LEU 78 HD12 LEU 78 -4.428 -0.361 -2.527 498 HD13 LEU 78 HD13 LEU 78 -5.342 -0.750 -1.074 499 HD21 LEU 78 HD21 LEU 78 -4.790 2.336 0.714 500 HD22 LEU 78 HD22 LEU 78 -3.261 1.462 0.664 501 HD23 LEU 78 HD23 LEU 78 -4.773 0.585 0.953 502 H LEU 79 HN LEU 79 -3.655 4.798 -2.993 503 HA LEU 79 HA LEU 79 -6.401 5.237 -2.572 504 HB2 LEU 79 HB2 LEU 79 -4.007 6.887 -2.941 505 HB3 LEU 79 HB1 LEU 79 -5.498 7.652 -3.448 506 HG LEU 79 HG LEU 79 -4.902 8.218 -1.130 507 HD11 LEU 79 HD11 LEU 79 -7.253 8.199 -1.814 508 HD12 LEU 79 HD12 LEU 79 -7.060 7.749 -0.120 509 HD13 LEU 79 HD13 LEU 79 -7.377 6.508 -1.332 510 HD21 LEU 79 HD21 LEU 79 -4.995 6.550 0.620 511 HD22 LEU 79 HD22 LEU 79 -3.766 6.110 -0.568 512 HD23 LEU 79 HD23 LEU 79 -5.327 5.288 -0.565 513 H GLU 80 HN GLU 80 -4.521 5.093 -5.536 514 HA GLU 80 HA GLU 80 -6.657 6.224 -7.087 515 HB2 GLU 80 HB2 GLU 80 -5.400 5.352 -9.071 516 HB3 GLU 80 HB1 GLU 80 -4.527 6.506 -8.066 517 HG2 GLU 80 HG2 GLU 80 -3.373 4.642 -7.002 518 HG3 GLU 80 HG1 GLU 80 -4.205 3.521 -8.076 519 H LEU 81 HN LEU 81 -5.661 3.049 -6.101 520 HA LEU 81 HA LEU 81 -7.370 1.514 -7.722 521 HB2 LEU 81 HB2 LEU 81 -5.501 0.693 -6.220 522 HB3 LEU 81 HB1 LEU 81 -6.595 0.922 -4.878 523 HG LEU 81 HG LEU 81 -7.306 -0.885 -7.166 524 HD11 LEU 81 HD11 LEU 81 -5.756 -1.597 -4.682 525 HD12 LEU 81 HD12 LEU 81 -5.162 -1.652 -6.342 526 HD13 LEU 81 HD13 LEU 81 -6.438 -2.754 -5.824 527 HD21 LEU 81 HD21 LEU 81 -9.113 -0.268 -5.638 528 HD22 LEU 81 HD22 LEU 81 -8.149 -0.822 -4.269 529 HD23 LEU 81 HD23 LEU 81 -8.705 -1.977 -5.480 530 H LEU 82 HN LEU 82 -7.761 2.909 -4.506 531 HA LEU 82 HA LEU 82 -10.505 2.267 -4.205 532 HB2 LEU 82 HB2 LEU 82 -8.475 3.887 -2.791 533 HB3 LEU 82 HB1 LEU 82 -10.147 4.314 -2.496 534 HG LEU 82 HG LEU 82 -10.630 2.234 -1.528 535 HD11 LEU 82 HD11 LEU 82 -7.985 1.224 -2.549 536 HD12 LEU 82 HD12 LEU 82 -9.584 0.765 -3.142 537 HD13 LEU 82 HD13 LEU 82 -9.092 0.330 -1.505 538 HD21 LEU 82 HD21 LEU 82 -8.969 2.011 0.253 539 HD22 LEU 82 HD22 LEU 82 -9.339 3.702 -0.083 540 HD23 LEU 82 HD23 LEU 82 -7.842 2.990 -0.685 541 H ASN 83 HN ASN 83 -9.081 4.440 -6.269 542 HA ASN 83 HA ASN 83 -11.210 6.435 -6.087 543 HB2 ASN 83 HB2 ASN 83 -8.817 7.127 -6.401 544 HB3 ASN 83 HB1 ASN 83 -8.843 6.337 -7.972 545 HD21 ASN 83 HD21 ASN 83 -9.875 9.058 -6.115 546 HD22 ASN 83 HD22 ASN 83 -10.474 9.996 -7.438 547 H LYS 84 HN LYS 84 -10.497 3.567 -7.618 548 HA LYS 84 HA LYS 84 -12.218 4.134 -9.926 549 HB2 LYS 84 HB2 LYS 84 -10.211 1.893 -9.680 550 HB3 LYS 84 HB1 LYS 84 -10.983 2.491 -11.144 551 HG2 LYS 84 HG2 LYS 84 -9.738 4.510 -11.059 552 HG3 LYS 84 HG1 LYS 84 -9.120 4.135 -9.461 553 HD2 LYS 84 HD2 LYS 84 -7.406 3.733 -11.121 554 HD3 LYS 84 HD1 LYS 84 -7.907 2.213 -10.382 555 HE2 LYS 84 HE2 LYS 84 -9.307 1.726 -12.323 556 HE3 LYS 84 HE1 LYS 84 -8.839 3.262 -13.054 557 HZ1 LYS 84 HZ1 LYS 84 -7.012 1.008 -12.421 558 HZ2 LYS 84 HZ2 LYS 84 -6.537 2.491 -13.081 559 HZ3 LYS 84 HZ3 LYS 84 -7.541 1.455 -13.965 560 H THR 85 HN THR 85 -13.355 3.561 -7.475 561 HA THR 85 HA THR 85 -14.192 0.752 -7.726 562 HB THR 85 HB THR 85 -14.932 0.977 -5.324 563 HG1 THR 85 HG1 THR 85 -14.865 3.350 -5.395 564 HG21 THR 85 HG21 THR 85 -12.854 -0.165 -5.901 565 HG22 THR 85 HG22 THR 85 -12.673 0.731 -4.393 566 HG23 THR 85 HG23 THR 85 -11.992 1.373 -5.887 Start of MODEL 6 1 H1 ASN 15 HT1 ASN 15 -5.375 6.580 5.825 2 H2 ASN 15 HT2 ASN 15 -5.773 5.767 4.400 3 H3 ASN 15 HT3 ASN 15 -4.433 5.278 5.306 4 HA ASN 15 HA ASN 15 -6.269 3.769 5.619 5 HB2 ASN 15 HB2 ASN 15 -4.643 4.280 7.468 6 HB3 ASN 15 HB1 ASN 15 -5.806 5.438 8.100 7 HD21 ASN 15 HD21 ASN 15 -6.052 4.334 10.029 8 HD22 ASN 15 HD22 ASN 15 -6.895 2.826 10.133 9 H ASP 16 HN ASP 16 -7.106 7.106 5.764 10 HA ASP 16 HA ASP 16 -9.541 6.958 7.182 11 HB2 ASP 16 HB2 ASP 16 -8.505 8.923 5.139 12 HB3 ASP 16 HB1 ASP 16 -10.066 9.115 5.925 13 H ILE 17 HN ILE 17 -8.791 6.698 3.738 14 HA ILE 17 HA ILE 17 -11.454 6.679 2.849 15 HB ILE 17 HB ILE 17 -8.960 5.607 1.535 16 HG12 ILE 17 HG12 ILE 17 -9.372 7.626 0.058 17 HG13 ILE 17 HG11 ILE 17 -10.590 8.128 1.218 18 HG21 ILE 17 HG21 ILE 17 -10.898 4.398 0.676 19 HG22 ILE 17 HG22 ILE 17 -10.250 5.499 -0.540 20 HG23 ILE 17 HG23 ILE 17 -11.713 5.927 0.346 21 HD11 ILE 17 HD11 ILE 17 -8.472 9.285 1.542 22 HD12 ILE 17 HD12 ILE 17 -7.678 7.734 1.829 23 HD13 ILE 17 HD13 ILE 17 -8.923 8.308 2.941 24 H CYS 18 HN CYS 18 -9.287 4.094 3.850 25 HA CYS 18 HA CYS 18 -10.988 1.956 3.001 26 HB2 CYS 18 HB2 CYS 18 -8.503 1.768 3.356 27 HB3 CYS 18 HB1 CYS 18 -8.790 1.902 5.087 28 HG CYS 18 HG CYS 18 -9.655 -0.546 5.516 29 H LEU 19 HN LEU 19 -10.389 3.718 5.944 30 HA LEU 19 HA LEU 19 -12.023 2.248 7.701 31 HB2 LEU 19 HB2 LEU 19 -10.225 4.059 8.071 32 HB3 LEU 19 HB1 LEU 19 -11.548 5.189 7.923 33 HG LEU 19 HG LEU 19 -11.334 2.997 9.992 34 HD11 LEU 19 HD11 LEU 19 -9.696 4.704 10.399 35 HD12 LEU 19 HD12 LEU 19 -11.011 4.874 11.563 36 HD13 LEU 19 HD13 LEU 19 -10.905 5.970 10.184 37 HD21 LEU 19 HD21 LEU 19 -13.340 5.229 9.713 38 HD22 LEU 19 HD22 LEU 19 -13.247 4.076 11.044 39 HD23 LEU 19 HD23 LEU 19 -13.645 3.518 9.417 40 H ARG 20 HN ARG 20 -12.622 5.155 5.742 41 HA ARG 20 HA ARG 20 -15.268 5.614 6.538 42 HB2 ARG 20 HB2 ARG 20 -13.827 7.214 5.301 43 HB3 ARG 20 HB1 ARG 20 -14.017 6.228 3.858 44 HG2 ARG 20 HG2 ARG 20 -16.471 6.614 3.997 45 HG3 ARG 20 HG1 ARG 20 -16.167 7.738 5.324 46 HD2 ARG 20 HD2 ARG 20 -16.370 8.994 3.293 47 HD3 ARG 20 HD1 ARG 20 -14.687 9.033 3.811 48 HE ARG 20 HE ARG 20 -15.657 7.207 1.705 49 HH11 ARG 20 HH11 ARG 20 -13.278 9.476 2.933 50 HH12 ARG 20 HH12 ARG 20 -12.295 9.406 1.509 51 HH21 ARG 20 HH21 ARG 20 -14.352 7.101 -0.153 52 HH22 ARG 20 HH22 ARG 20 -12.897 8.045 -0.244 53 H LYS 21 HN LYS 21 -13.928 3.441 4.142 54 HA LYS 21 HA LYS 21 -16.387 2.787 2.859 55 HB2 LYS 21 HB2 LYS 21 -13.619 1.679 2.910 56 HB3 LYS 21 HB1 LYS 21 -14.911 0.685 2.251 57 HG2 LYS 21 HG2 LYS 21 -14.183 3.447 1.308 58 HG3 LYS 21 HG1 LYS 21 -13.725 1.931 0.521 59 HD2 LYS 21 HD2 LYS 21 -16.148 1.381 0.346 60 HD3 LYS 21 HD1 LYS 21 -16.496 3.001 0.947 61 HE2 LYS 21 HE2 LYS 21 -15.251 3.937 -0.964 62 HE3 LYS 21 HE1 LYS 21 -14.979 2.308 -1.560 63 HZ1 LYS 21 HZ1 LYS 21 -17.638 3.572 -1.203 64 HZ2 LYS 21 HZ2 LYS 21 -17.353 2.021 -1.811 65 HZ3 LYS 21 HZ3 LYS 21 -16.836 3.377 -2.679 66 H ASN 22 HN ASN 22 -15.365 2.246 5.859 67 HA ASN 22 HA ASN 22 -15.905 0.900 7.598 68 HB2 ASN 22 HB2 ASN 22 -18.229 1.287 6.741 69 HB3 ASN 22 HB1 ASN 22 -18.085 -0.201 5.815 70 HD21 ASN 22 HD21 ASN 22 -19.794 -1.154 6.904 71 HD22 ASN 22 HD22 ASN 22 -19.660 -1.701 8.540 72 H TRP 23 HN TRP 23 -14.016 0.095 5.554 73 HA TRP 23 HA TRP 23 -14.114 -2.820 5.617 74 HB2 TRP 23 HB2 TRP 23 -12.029 -0.888 4.573 75 HB3 TRP 23 HB1 TRP 23 -11.904 -2.631 4.460 76 HD1 TRP 23 HD1 TRP 23 -15.078 -2.963 3.472 77 HE1 TRP 23 HE1 TRP 23 -15.539 -2.424 0.980 78 HE3 TRP 23 HE3 TRP 23 -10.976 -0.112 2.508 79 HZ2 TRP 23 HZ2 TRP 23 -14.271 -0.976 -1.122 80 HZ3 TRP 23 HZ3 TRP 23 -10.661 0.804 0.260 81 HH2 TRP 23 HH2 TRP 23 -12.268 0.384 -1.518 82 HA PRO 24 HA PRO 24 -11.328 -3.112 9.140 83 HB2 PRO 24 HB2 PRO 24 -9.626 -5.080 8.348 84 HB3 PRO 24 HB1 PRO 24 -11.254 -5.388 8.953 85 HG2 PRO 24 HG2 PRO 24 -10.257 -5.314 6.146 86 HG3 PRO 24 HG1 PRO 24 -11.436 -6.408 6.889 87 HD2 PRO 24 HD2 PRO 24 -12.142 -4.307 5.318 88 HD3 PRO 24 HD1 PRO 24 -13.167 -4.911 6.630 89 H MET 25 HN MET 25 -8.751 -3.331 9.461 90 HA MET 25 HA MET 25 -7.671 -1.024 8.173 91 HB2 MET 25 HB2 MET 25 -6.363 -3.031 10.003 92 HB3 MET 25 HB1 MET 25 -5.691 -1.471 9.551 93 HG2 MET 25 HG2 MET 25 -8.343 -1.717 10.919 94 HG3 MET 25 HG1 MET 25 -6.835 -1.665 11.814 95 HE1 MET 25 HE1 MET 25 -9.638 0.217 10.182 96 HE2 MET 25 HE2 MET 25 -8.593 0.467 8.785 97 HE3 MET 25 HE3 MET 25 -9.019 1.827 9.818 98 HA PRO 26 HA PRO 26 -5.909 -3.058 4.683 99 HB2 PRO 26 HB2 PRO 26 -3.981 -0.894 4.464 100 HB3 PRO 26 HB1 PRO 26 -5.328 -1.292 3.402 101 HG2 PRO 26 HG2 PRO 26 -5.295 0.915 4.981 102 HG3 PRO 26 HG1 PRO 26 -6.784 0.078 4.513 103 HD2 PRO 26 HD2 PRO 26 -5.278 -0.023 7.091 104 HD3 PRO 26 HD1 PRO 26 -7.029 -0.029 6.800 105 H SER 27 HN SER 27 -3.933 -3.912 3.876 106 HA SER 27 HA SER 27 -2.162 -4.748 6.019 107 HB2 SER 27 HB2 SER 27 -3.163 -6.325 4.303 108 HB3 SER 27 HB1 SER 27 -2.070 -5.606 3.126 109 HG SER 27 HG SER 27 -0.631 -6.938 3.859 110 H TYR 28 HN TYR 28 0.022 -4.315 6.131 111 HA TYR 28 HA TYR 28 1.224 -2.646 4.101 112 HB2 TYR 28 HB2 TYR 28 0.765 -1.731 6.933 113 HB3 TYR 28 HB1 TYR 28 2.088 -1.093 5.968 114 HD1 TYR 28 HD1 TYR 28 1.632 0.348 4.015 115 HD2 TYR 28 HD2 TYR 28 -1.526 -1.097 6.493 116 HE1 TYR 28 HE1 TYR 28 0.120 2.030 3.064 117 HE2 TYR 28 HE2 TYR 28 -3.042 0.588 5.541 118 HH TYR 28 HH TYR 28 -2.341 2.311 2.743 119 H ARG 29 HN ARG 29 3.056 -3.800 3.675 120 HA ARG 29 HA ARG 29 4.991 -4.243 5.718 121 HB2 ARG 29 HB2 ARG 29 3.586 -6.189 6.168 122 HB3 ARG 29 HB1 ARG 29 3.646 -6.651 4.474 123 HG2 ARG 29 HG2 ARG 29 6.056 -7.017 4.660 124 HG3 ARG 29 HG1 ARG 29 5.987 -6.562 6.362 125 HD2 ARG 29 HD2 ARG 29 4.556 -8.443 6.849 126 HD3 ARG 29 HD1 ARG 29 4.465 -8.858 5.139 127 HE ARG 29 HE ARG 29 7.158 -8.832 5.939 128 HH11 ARG 29 HH11 ARG 29 4.241 -10.702 6.423 129 HH12 ARG 29 HH12 ARG 29 5.086 -12.194 6.673 130 HH21 ARG 29 HH21 ARG 29 8.274 -10.790 6.251 131 HH22 ARG 29 HH22 ARG 29 7.385 -12.242 6.578 132 H CYS 30 HN CYS 30 6.968 -4.181 4.819 133 HA CYS 30 HA CYS 30 7.243 -3.561 2.087 134 HB2 CYS 30 HB2 CYS 30 9.713 -3.717 2.580 135 HB3 CYS 30 HB1 CYS 30 8.806 -2.623 3.618 136 HG CYS 30 HG CYS 30 9.803 -5.782 4.482 137 H VAL 31 HN VAL 31 7.632 -4.744 0.351 138 HA VAL 31 HA VAL 31 7.662 -7.630 0.616 139 HB VAL 31 HB VAL 31 7.709 -5.994 -1.927 140 HG11 VAL 31 HG11 VAL 31 8.354 -8.326 -2.221 141 HG12 VAL 31 HG12 VAL 31 6.781 -8.013 -2.954 142 HG13 VAL 31 HG13 VAL 31 6.880 -8.847 -1.404 143 HG21 VAL 31 HG21 VAL 31 5.339 -7.044 -0.387 144 HG22 VAL 31 HG22 VAL 31 5.271 -6.335 -2.000 145 HG23 VAL 31 HG23 VAL 31 5.770 -5.351 -0.624 146 H LYS 32 HN LYS 32 9.815 -5.005 -0.207 147 HA LYS 32 HA LYS 32 12.027 -6.924 -0.255 148 HB2 LYS 32 HB2 LYS 32 11.456 -6.167 -2.590 149 HB3 LYS 32 HB1 LYS 32 11.812 -4.528 -2.073 150 HG2 LYS 32 HG2 LYS 32 14.121 -5.245 -1.537 151 HG3 LYS 32 HG1 LYS 32 13.740 -6.827 -2.224 152 HD2 LYS 32 HD2 LYS 32 13.197 -5.746 -4.367 153 HD3 LYS 32 HD1 LYS 32 13.622 -4.181 -3.674 154 HE2 LYS 32 HE2 LYS 32 15.467 -5.003 -4.990 155 HE3 LYS 32 HE1 LYS 32 15.914 -5.013 -3.286 156 HZ1 LYS 32 HZ1 LYS 32 15.652 -7.341 -3.185 157 HZ2 LYS 32 HZ2 LYS 32 16.544 -7.039 -4.587 158 HZ3 LYS 32 HZ3 LYS 32 14.900 -7.413 -4.695 159 H GLU 33 HN GLU 33 13.356 -6.410 1.320 160 HA GLU 33 HA GLU 33 14.062 -3.646 1.866 161 HB2 GLU 33 HB2 GLU 33 12.058 -4.183 3.295 162 HB3 GLU 33 HB1 GLU 33 13.016 -5.429 4.077 163 HG2 GLU 33 HG2 GLU 33 14.081 -2.656 4.029 164 HG3 GLU 33 HG1 GLU 33 12.741 -3.021 5.110 165 H GLY 34 HN GLY 34 16.196 -3.548 2.139 166 HA2 GLY 34 HA2 GLY 34 18.228 -4.115 3.166 167 HA3 GLY 34 HA1 GLY 34 17.556 -5.686 3.578 168 H GLY 35 HN GLY 35 20.078 -5.499 2.584 169 HA2 GLY 35 HA2 GLY 35 20.259 -7.385 0.645 170 HA3 GLY 35 HA1 GLY 35 20.098 -5.890 -0.267 171 HA PRO 36 HA PRO 36 24.652 -6.633 0.232 172 HB2 PRO 36 HB2 PRO 36 24.448 -4.637 -1.986 173 HB3 PRO 36 HB1 PRO 36 25.480 -6.063 -1.851 174 HG2 PRO 36 HG2 PRO 36 23.331 -6.116 -3.398 175 HG3 PRO 36 HG1 PRO 36 23.763 -7.523 -2.409 176 HD2 PRO 36 HD2 PRO 36 21.625 -5.489 -1.987 177 HD3 PRO 36 HD1 PRO 36 21.613 -7.229 -1.636 178 H ALA 37 HN ALA 37 23.762 -3.407 -0.928 179 HA ALA 37 HA ALA 37 24.136 -2.151 1.621 180 HB1 ALA 37 HB1 ALA 37 26.070 -0.792 1.031 181 HB2 ALA 37 HB2 ALA 37 26.197 -1.621 -0.520 182 HB3 ALA 37 HB3 ALA 37 26.483 -2.506 0.977 183 H HIS 38 HN HIS 38 24.214 -1.645 -1.878 184 HA HIS 38 HA HIS 38 22.819 0.871 -1.721 185 HB2 HIS 38 HB2 HIS 38 22.788 0.694 -4.225 186 HB3 HIS 38 HB1 HIS 38 24.396 0.594 -3.518 187 HD1 HIS 38 HD1 HIS 38 25.721 -1.526 -3.912 188 HD2 HIS 38 HD2 HIS 38 21.792 -1.797 -5.249 189 HE1 HIS 38 HE1 HIS 38 25.582 -3.695 -5.172 190 HE2 HIS 38 HE2 HIS 38 23.269 -3.712 -6.171 191 H ALA 39 HN ALA 39 21.577 -1.741 -0.765 192 HA ALA 39 HA ALA 39 19.127 -1.569 -2.378 193 HB1 ALA 39 HB1 ALA 39 20.264 -4.035 -1.074 194 HB2 ALA 39 HB2 ALA 39 20.288 -3.671 -2.801 195 HB3 ALA 39 HB3 ALA 39 18.751 -3.944 -1.975 196 H LYS 40 HN LYS 40 19.881 -0.105 0.037 197 HA LYS 40 HA LYS 40 17.987 -1.175 1.975 198 HB2 LYS 40 HB2 LYS 40 20.305 0.032 2.475 199 HB3 LYS 40 HB1 LYS 40 19.286 1.462 2.393 200 HG2 LYS 40 HG2 LYS 40 19.555 0.622 4.684 201 HG3 LYS 40 HG1 LYS 40 17.874 0.635 4.149 202 HD2 LYS 40 HD2 LYS 40 17.940 -1.744 3.735 203 HD3 LYS 40 HD1 LYS 40 19.663 -1.794 4.098 204 HE2 LYS 40 HE2 LYS 40 19.228 -1.183 6.394 205 HE3 LYS 40 HE1 LYS 40 17.509 -1.000 6.049 206 HZ1 LYS 40 HZ1 LYS 40 17.305 -3.322 5.658 207 HZ2 LYS 40 HZ2 LYS 40 18.135 -3.136 7.125 208 HZ3 LYS 40 HZ3 LYS 40 18.984 -3.552 5.722 209 H ARG 41 HN ARG 41 17.580 0.106 -0.748 210 HA ARG 41 HA ARG 41 15.498 2.006 -0.033 211 HB2 ARG 41 HB2 ARG 41 14.867 1.892 -2.462 212 HB3 ARG 41 HB1 ARG 41 16.478 2.498 -2.146 213 HG2 ARG 41 HG2 ARG 41 17.405 0.300 -2.737 214 HG3 ARG 41 HG1 ARG 41 15.769 -0.278 -3.074 215 HD2 ARG 41 HD2 ARG 41 15.544 1.549 -4.749 216 HD3 ARG 41 HD1 ARG 41 17.238 1.947 -4.481 217 HE ARG 41 HE ARG 41 17.238 -0.715 -5.123 218 HH11 ARG 41 HH11 ARG 41 16.026 2.196 -6.629 219 HH12 ARG 41 HH12 ARG 41 16.285 1.625 -8.244 220 HH21 ARG 41 HH21 ARG 41 17.580 -1.480 -7.260 221 HH22 ARG 41 HH22 ARG 41 17.164 -0.465 -8.603 222 H PHE 42 HN PHE 42 13.366 1.555 -0.004 223 HA PHE 42 HA PHE 42 12.843 -1.321 0.333 224 HB2 PHE 42 HB2 PHE 42 11.305 0.928 1.635 225 HB3 PHE 42 HB1 PHE 42 11.279 -0.779 2.056 226 HD1 PHE 42 HD1 PHE 42 14.190 -1.383 2.109 227 HD2 PHE 42 HD2 PHE 42 12.018 1.972 3.568 228 HE1 PHE 42 HE1 PHE 42 15.954 -0.972 3.781 229 HE2 PHE 42 HE2 PHE 42 13.768 2.379 5.244 230 HZ PHE 42 HZ PHE 42 15.735 0.907 5.356 231 H THR 43 HN THR 43 11.219 -2.276 -0.654 232 HA THR 43 HA THR 43 9.445 -0.633 -2.335 233 HB THR 43 HB THR 43 10.427 -3.423 -2.987 234 HG1 THR 43 HG1 THR 43 11.790 -1.177 -3.141 235 HG21 THR 43 HG21 THR 43 8.283 -2.839 -3.990 236 HG22 THR 43 HG22 THR 43 9.542 -2.917 -5.223 237 HG23 THR 43 HG23 THR 43 8.976 -1.352 -4.638 238 H PHE 44 HN PHE 44 7.329 -0.866 -1.661 239 HA PHE 44 HA PHE 44 6.729 -3.244 -0.080 240 HB2 PHE 44 HB2 PHE 44 6.846 -1.827 1.699 241 HB3 PHE 44 HB1 PHE 44 6.775 -0.400 0.680 242 HD1 PHE 44 HD2 PHE 44 4.686 -3.071 2.147 243 HD2 PHE 44 HD1 PHE 44 4.855 0.873 0.592 244 HE1 PHE 44 HE2 PHE 44 2.391 -2.667 2.918 245 HE2 PHE 44 HE1 PHE 44 2.574 1.281 1.376 246 HZ PHE 44 HZ PHE 44 1.277 -0.536 2.376 247 H GLY 45 HN GLY 45 4.451 -3.796 -0.046 248 HA2 GLY 45 HA2 GLY 45 2.894 -2.524 -2.199 249 HA3 GLY 45 HA1 GLY 45 2.970 -4.272 -2.021 250 H VAL 46 HN VAL 46 0.730 -2.230 -1.793 251 HA VAL 46 HA VAL 46 -0.054 -2.688 1.016 252 HB VAL 46 HB VAL 46 -1.661 -0.930 -0.770 253 HG11 VAL 46 HG11 VAL 46 -0.895 -0.865 2.136 254 HG12 VAL 46 HG12 VAL 46 -2.463 -1.280 1.444 255 HG13 VAL 46 HG13 VAL 46 -1.861 0.373 1.341 256 HG21 VAL 46 HG21 VAL 46 -0.245 1.012 -0.286 257 HG22 VAL 46 HG22 VAL 46 0.561 -0.178 -1.307 258 HG23 VAL 46 HG23 VAL 46 0.968 -0.065 0.403 259 H ARG 47 HN ARG 47 -2.274 -3.350 1.451 260 HA ARG 47 HA ARG 47 -3.762 -4.388 -0.821 261 HB2 ARG 47 HB2 ARG 47 -2.225 -6.120 0.560 262 HB3 ARG 47 HB1 ARG 47 -3.611 -6.051 1.635 263 HG2 ARG 47 HG2 ARG 47 -4.033 -7.875 0.293 264 HG3 ARG 47 HG1 ARG 47 -5.020 -6.584 -0.392 265 HD2 ARG 47 HD2 ARG 47 -3.977 -7.718 -2.205 266 HD3 ARG 47 HD1 ARG 47 -3.200 -6.148 -2.033 267 HE ARG 47 HE ARG 47 -1.419 -7.452 -0.773 268 HH11 ARG 47 HH11 ARG 47 -3.385 -8.878 -3.294 269 HH12 ARG 47 HH12 ARG 47 -2.148 -9.976 -3.818 270 HH21 ARG 47 HH21 ARG 47 0.232 -8.879 -1.476 271 HH22 ARG 47 HH22 ARG 47 -0.096 -9.987 -2.774 272 H VAL 48 HN VAL 48 -5.968 -4.375 -0.427 273 HA VAL 48 HA VAL 48 -6.849 -3.442 2.221 274 HB VAL 48 HB VAL 48 -7.596 -2.273 -0.457 275 HG11 VAL 48 HG11 VAL 48 -9.329 -0.974 0.664 276 HG12 VAL 48 HG12 VAL 48 -9.037 -1.868 2.157 277 HG13 VAL 48 HG13 VAL 48 -9.677 -2.702 0.739 278 HG21 VAL 48 HG21 VAL 48 -5.653 -1.371 0.824 279 HG22 VAL 48 HG22 VAL 48 -6.776 -0.943 2.115 280 HG23 VAL 48 HG23 VAL 48 -6.934 -0.196 0.526 281 H ASN 49 HN ASN 49 -9.009 -4.064 2.805 282 HA ASN 49 HA ASN 49 -9.850 -6.491 1.410 283 HB2 ASN 49 HB2 ASN 49 -9.482 -6.570 3.884 284 HB3 ASN 49 HB1 ASN 49 -10.811 -5.431 4.073 285 HD21 ASN 49 HD21 ASN 49 -9.924 -8.679 3.193 286 HD22 ASN 49 HD22 ASN 49 -11.515 -9.350 3.294 287 H THR 50 HN THR 50 -10.700 -5.476 -0.295 288 HA THR 50 HA THR 50 -12.838 -3.532 -0.079 289 HB THR 50 HB THR 50 -13.184 -3.957 -2.551 290 HG1 THR 50 HG1 THR 50 -11.370 -5.967 -1.960 291 HG21 THR 50 HG21 THR 50 -11.103 -2.841 -3.215 292 HG22 THR 50 HG22 THR 50 -10.402 -3.224 -1.642 293 HG23 THR 50 HG23 THR 50 -11.786 -2.136 -1.750 294 H SER 51 HN SER 51 -14.613 -4.179 0.880 295 HA SER 51 HA SER 51 -15.431 -6.679 1.502 296 HB2 SER 51 HB2 SER 51 -16.340 -4.591 2.449 297 HB3 SER 51 HB1 SER 51 -17.256 -4.327 0.968 298 HG SER 51 HG SER 51 -17.529 -6.663 2.560 299 H ASP 52 HN ASP 52 -16.215 -4.992 -1.495 300 HA ASP 52 HA ASP 52 -18.190 -6.722 -2.453 301 HB2 ASP 52 HB2 ASP 52 -17.579 -5.833 -4.701 302 HB3 ASP 52 HB1 ASP 52 -17.856 -4.593 -3.486 303 H ARG 53 HN ARG 53 -14.669 -7.084 -2.492 304 HA ARG 53 HA ARG 53 -15.042 -9.680 -3.838 305 HB2 ARG 53 HB2 ARG 53 -12.948 -7.599 -4.440 306 HB3 ARG 53 HB1 ARG 53 -12.811 -9.271 -4.952 307 HG2 ARG 53 HG2 ARG 53 -14.828 -9.056 -6.279 308 HG3 ARG 53 HG1 ARG 53 -15.022 -7.391 -5.727 309 HD2 ARG 53 HD2 ARG 53 -12.951 -6.755 -6.782 310 HD3 ARG 53 HD1 ARG 53 -12.633 -8.425 -7.239 311 HE ARG 53 HE ARG 53 -14.962 -7.996 -8.457 312 HH11 ARG 53 HH11 ARG 53 -12.096 -6.000 -8.292 313 HH12 ARG 53 HH12 ARG 53 -12.310 -5.324 -9.872 314 HH21 ARG 53 HH21 ARG 53 -15.263 -7.111 -10.546 315 HH22 ARG 53 HH22 ARG 53 -14.131 -5.946 -11.154 316 H GLY 54 HN GLY 54 -13.075 -7.692 -1.708 317 HA2 GLY 54 HA2 GLY 54 -12.342 -8.812 0.371 318 HA3 GLY 54 HA1 GLY 54 -11.809 -10.126 -0.652 319 H TRP 55 HN TRP 55 -9.716 -9.956 0.203 320 HA TRP 55 HA TRP 55 -8.078 -7.727 0.176 321 HB2 TRP 55 HB2 TRP 55 -7.556 -10.655 -0.094 322 HB3 TRP 55 HB1 TRP 55 -6.235 -9.530 -0.366 323 HD1 TRP 55 HD1 TRP 55 -7.382 -11.602 2.267 324 HE1 TRP 55 HE1 TRP 55 -6.781 -10.690 4.599 325 HE3 TRP 55 HE3 TRP 55 -6.322 -6.779 0.995 326 HZ2 TRP 55 HZ2 TRP 55 -5.950 -8.238 5.725 327 HZ3 TRP 55 HZ3 TRP 55 -5.633 -5.213 2.750 328 HH2 TRP 55 HH2 TRP 55 -5.453 -5.920 5.071 329 H THR 56 HN THR 56 -7.229 -6.506 -1.311 330 HA THR 56 HA THR 56 -7.959 -6.822 -4.052 331 HB THR 56 HB THR 56 -6.609 -4.739 -4.369 332 HG1 THR 56 HG1 THR 56 -5.112 -4.547 -2.857 333 HG21 THR 56 HG21 THR 56 -8.630 -4.716 -2.128 334 HG22 THR 56 HG22 THR 56 -8.979 -4.599 -3.853 335 HG23 THR 56 HG23 THR 56 -8.103 -3.302 -3.042 336 H ASP 57 HN ASP 57 -6.146 -6.160 -5.698 337 HA ASP 57 HA ASP 57 -3.945 -7.998 -5.542 338 HB2 ASP 57 HB2 ASP 57 -3.216 -7.115 -7.650 339 HB3 ASP 57 HB1 ASP 57 -4.968 -7.229 -7.723 340 H GLU 58 HN GLU 58 -1.640 -6.919 -5.919 341 HA GLU 58 HA GLU 58 -1.361 -5.395 -3.478 342 HB2 GLU 58 HB2 GLU 58 -0.096 -7.527 -3.850 343 HB3 GLU 58 HB1 GLU 58 0.830 -6.672 -5.072 344 HG2 GLU 58 HG2 GLU 58 1.875 -5.312 -3.527 345 HG3 GLU 58 HG1 GLU 58 0.640 -5.594 -2.299 346 H CYS 59 HN CYS 59 -1.087 -3.341 -3.507 347 HA CYS 59 HA CYS 59 -0.298 -1.935 -5.921 348 HB2 CYS 59 HB2 CYS 59 -0.850 -0.774 -3.182 349 HB3 CYS 59 HB1 CYS 59 -0.862 0.076 -4.723 350 HG CYS 59 HG CYS 59 -3.124 -1.393 -5.658 351 H ILE 60 HN ILE 60 1.845 -2.260 -6.283 352 HA ILE 60 HA ILE 60 3.741 -2.159 -4.094 353 HB ILE 60 HB ILE 60 4.050 -2.681 -7.052 354 HG12 ILE 60 HG12 ILE 60 2.960 -4.445 -5.663 355 HG13 ILE 60 HG11 ILE 60 4.455 -4.962 -6.436 356 HG21 ILE 60 HG21 ILE 60 6.049 -1.585 -6.250 357 HG22 ILE 60 HG22 ILE 60 6.370 -3.284 -6.598 358 HG23 ILE 60 HG23 ILE 60 6.172 -2.747 -4.929 359 HD11 ILE 60 HD11 ILE 60 5.653 -4.673 -4.365 360 HD12 ILE 60 HD12 ILE 60 4.272 -5.746 -4.134 361 HD13 ILE 60 HD13 ILE 60 4.194 -4.074 -3.584 362 H GLY 61 HN GLY 61 4.687 -0.361 -3.473 363 HA2 GLY 61 HA2 GLY 61 4.479 2.042 -5.094 364 HA3 GLY 61 HA1 GLY 61 5.099 1.937 -3.451 365 H GLU 62 HN GLU 62 6.680 3.458 -4.620 366 HA GLU 62 HA GLU 62 8.598 2.095 -6.312 367 HB2 GLU 62 HB2 GLU 62 8.421 4.931 -5.293 368 HB3 GLU 62 HB1 GLU 62 9.683 4.339 -6.362 369 HG2 GLU 62 HG2 GLU 62 6.755 4.406 -6.962 370 HG3 GLU 62 HG1 GLU 62 7.977 5.486 -7.613 371 HA PRO 63 HA PRO 63 11.547 1.067 -3.115 372 HB2 PRO 63 HB2 PRO 63 13.560 2.047 -5.067 373 HB3 PRO 63 HB1 PRO 63 13.465 0.488 -4.242 374 HG2 PRO 63 HG2 PRO 63 12.848 0.713 -6.827 375 HG3 PRO 63 HG1 PRO 63 11.939 -0.369 -5.757 376 HD2 PRO 63 HD2 PRO 63 11.176 2.311 -6.833 377 HD3 PRO 63 HD1 PRO 63 10.170 0.878 -6.546 378 H MET 64 HN MET 64 11.602 2.485 -1.446 379 HA MET 64 HA MET 64 12.495 5.233 -1.990 380 HB2 MET 64 HB2 MET 64 10.456 4.290 0.030 381 HB3 MET 64 HB1 MET 64 11.006 5.948 -0.167 382 HG2 MET 64 HG2 MET 64 9.532 4.324 -2.226 383 HG3 MET 64 HG1 MET 64 8.849 5.583 -1.209 384 HE1 MET 64 HE1 MET 64 10.360 8.836 -2.576 385 HE2 MET 64 HE2 MET 64 10.855 7.905 -1.163 386 HE3 MET 64 HE3 MET 64 9.141 8.095 -1.535 387 HA PRO 65 HA PRO 65 15.639 4.400 0.908 388 HB2 PRO 65 HB2 PRO 65 16.413 6.855 1.620 389 HB3 PRO 65 HB1 PRO 65 16.586 6.266 -0.036 390 HG2 PRO 65 HG2 PRO 65 14.496 8.066 1.121 391 HG3 PRO 65 HG1 PRO 65 15.355 8.199 -0.423 392 HD2 PRO 65 HD2 PRO 65 12.827 7.164 -0.150 393 HD3 PRO 65 HD1 PRO 65 13.936 6.748 -1.470 394 H SER 66 HN SER 66 12.701 5.029 2.172 395 HA SER 66 HA SER 66 13.634 4.473 4.810 396 HB2 SER 66 HB2 SER 66 13.898 6.971 4.669 397 HB3 SER 66 HB1 SER 66 12.156 7.085 4.432 398 HG SER 66 HG SER 66 12.193 7.191 6.546 399 H VAL 67 HN VAL 67 11.938 3.739 6.187 400 HA VAL 67 HA VAL 67 10.024 2.278 4.752 401 HB VAL 67 HB VAL 67 10.089 2.859 7.714 402 HG11 VAL 67 HG11 VAL 67 7.869 2.129 7.036 403 HG12 VAL 67 HG12 VAL 67 8.686 0.854 7.938 404 HG13 VAL 67 HG13 VAL 67 8.564 0.751 6.183 405 HG21 VAL 67 HG21 VAL 67 12.099 1.750 6.879 406 HG22 VAL 67 HG22 VAL 67 11.103 0.504 6.125 407 HG23 VAL 67 HG23 VAL 67 11.141 0.660 7.882 408 H LYS 68 HN LYS 68 9.531 5.142 6.845 409 HA LYS 68 HA LYS 68 6.771 5.213 6.713 410 HB2 LYS 68 HB2 LYS 68 8.712 7.507 6.968 411 HB3 LYS 68 HB1 LYS 68 6.983 7.634 7.254 412 HG2 LYS 68 HG2 LYS 68 7.156 6.029 9.076 413 HG3 LYS 68 HG1 LYS 68 8.888 5.873 8.779 414 HD2 LYS 68 HD2 LYS 68 9.161 8.275 9.264 415 HD3 LYS 68 HD1 LYS 68 7.437 8.380 9.624 416 HE2 LYS 68 HE2 LYS 68 9.464 6.688 11.080 417 HE3 LYS 68 HE1 LYS 68 8.740 8.182 11.671 418 HZ1 LYS 68 HZ1 LYS 68 7.296 5.652 11.098 419 HZ2 LYS 68 HZ2 LYS 68 6.572 7.089 11.619 420 HZ3 LYS 68 HZ3 LYS 68 7.652 6.270 12.631 421 H LYS 69 HN LYS 69 9.098 6.700 4.450 422 HA LYS 69 HA LYS 69 6.957 7.894 2.948 423 HB2 LYS 69 HB2 LYS 69 8.697 8.741 1.468 424 HB3 LYS 69 HB1 LYS 69 9.078 9.079 3.149 425 HG2 LYS 69 HG2 LYS 69 10.480 6.935 3.037 426 HG3 LYS 69 HG1 LYS 69 10.343 7.120 1.291 427 HD2 LYS 69 HD2 LYS 69 11.474 9.170 3.201 428 HD3 LYS 69 HD1 LYS 69 12.416 8.117 2.151 429 HE2 LYS 69 HE2 LYS 69 12.370 10.090 0.951 430 HE3 LYS 69 HE1 LYS 69 11.029 9.198 0.243 431 HZ1 LYS 69 HZ1 LYS 69 10.817 11.330 2.297 432 HZ2 LYS 69 HZ2 LYS 69 9.515 10.449 1.680 433 HZ3 LYS 69 HZ3 LYS 69 10.400 11.467 0.665 434 H ALA 70 HN ALA 70 8.808 4.943 2.863 435 HA ALA 70 HA ALA 70 8.196 4.109 0.271 436 HB1 ALA 70 HB1 ALA 70 9.784 2.946 1.742 437 HB2 ALA 70 HB2 ALA 70 8.580 1.847 1.067 438 HB3 ALA 70 HB3 ALA 70 8.438 2.390 2.739 439 H LYS 71 HN LYS 71 6.443 3.302 3.286 440 HA LYS 71 HA LYS 71 4.239 2.099 2.106 441 HB2 LYS 71 HB2 LYS 71 3.294 2.046 4.172 442 HB3 LYS 71 HB1 LYS 71 4.942 2.422 4.645 443 HG2 LYS 71 HG2 LYS 71 4.407 4.719 4.949 444 HG3 LYS 71 HG1 LYS 71 2.822 4.488 4.212 445 HD2 LYS 71 HD2 LYS 71 2.255 2.937 6.086 446 HD3 LYS 71 HD1 LYS 71 3.788 3.376 6.842 447 HE2 LYS 71 HE2 LYS 71 3.080 5.713 6.926 448 HE3 LYS 71 HE1 LYS 71 1.555 5.282 6.154 449 HZ1 LYS 71 HZ1 LYS 71 1.235 5.468 8.506 450 HZ2 LYS 71 HZ2 LYS 71 2.502 4.395 8.820 451 HZ3 LYS 71 HZ3 LYS 71 1.090 3.838 8.075 452 H ASP 72 HN ASP 72 4.774 5.487 2.900 453 HA ASP 72 HA ASP 72 2.398 6.599 2.112 454 HB2 ASP 72 HB2 ASP 72 4.225 7.846 3.170 455 HB3 ASP 72 HB1 ASP 72 5.165 7.732 1.685 456 H SER 73 HN SER 73 5.202 5.890 0.001 457 HA SER 73 HA SER 73 4.157 7.004 -2.332 458 HB2 SER 73 HB2 SER 73 6.516 6.397 -2.073 459 HB3 SER 73 HB1 SER 73 6.084 4.690 -1.996 460 HG SER 73 HG SER 73 5.631 6.413 -4.214 461 H ALA 74 HN ALA 74 3.910 3.701 -1.067 462 HA ALA 74 HA ALA 74 2.578 2.665 -3.372 463 HB1 ALA 74 HB1 ALA 74 3.893 1.312 -1.728 464 HB2 ALA 74 HB2 ALA 74 2.304 0.660 -2.118 465 HB3 ALA 74 HB3 ALA 74 2.555 1.508 -0.590 466 H ALA 75 HN ALA 75 1.528 3.801 -0.222 467 HA ALA 75 HA ALA 75 -1.192 3.332 -0.317 468 HB1 ALA 75 HB1 ALA 75 -1.457 5.206 1.212 469 HB2 ALA 75 HB2 ALA 75 0.156 5.789 0.801 470 HB3 ALA 75 HB3 ALA 75 -0.039 4.248 1.639 471 H VAL 76 HN VAL 76 0.654 5.844 -1.982 472 HA VAL 76 HA VAL 76 -1.475 7.479 -2.807 473 HB VAL 76 HB VAL 76 1.168 6.944 -4.182 474 HG11 VAL 76 HG11 VAL 76 0.819 9.045 -5.363 475 HG12 VAL 76 HG12 VAL 76 -0.761 9.226 -4.600 476 HG13 VAL 76 HG13 VAL 76 -0.475 7.903 -5.732 477 HG21 VAL 76 HG21 VAL 76 1.446 7.829 -1.940 478 HG22 VAL 76 HG22 VAL 76 0.320 9.139 -2.296 479 HG23 VAL 76 HG23 VAL 76 1.868 9.056 -3.136 480 H LEU 77 HN LEU 77 -0.129 4.520 -4.131 481 HA LEU 77 HA LEU 77 -1.627 4.636 -6.587 482 HB2 LEU 77 HB2 LEU 77 -0.191 2.299 -5.319 483 HB3 LEU 77 HB1 LEU 77 -0.712 2.423 -6.983 484 HG LEU 77 HG LEU 77 1.420 4.131 -5.705 485 HD11 LEU 77 HD11 LEU 77 2.967 2.872 -7.104 486 HD12 LEU 77 HD12 LEU 77 1.640 1.857 -7.667 487 HD13 LEU 77 HD13 LEU 77 2.124 1.814 -5.971 488 HD21 LEU 77 HD21 LEU 77 0.486 3.941 -8.563 489 HD22 LEU 77 HD22 LEU 77 1.869 4.874 -7.992 490 HD23 LEU 77 HD23 LEU 77 0.239 5.305 -7.474 491 H LEU 78 HN LEU 78 -1.874 3.207 -3.442 492 HA LEU 78 HA LEU 78 -4.009 1.424 -3.871 493 HB2 LEU 78 HB2 LEU 78 -2.501 1.392 -1.939 494 HB3 LEU 78 HB1 LEU 78 -3.160 2.922 -1.407 495 HG LEU 78 HG LEU 78 -5.414 1.668 -1.314 496 HD11 LEU 78 HD11 LEU 78 -4.526 -0.345 -2.496 497 HD12 LEU 78 HD12 LEU 78 -5.303 -0.691 -0.956 498 HD13 LEU 78 HD13 LEU 78 -3.547 -0.688 -1.071 499 HD21 LEU 78 HD21 LEU 78 -4.647 2.413 0.705 500 HD22 LEU 78 HD22 LEU 78 -3.095 1.596 0.544 501 HD23 LEU 78 HD23 LEU 78 -4.542 0.670 0.971 502 H LEU 79 HN LEU 79 -3.860 4.796 -2.849 503 HA LEU 79 HA LEU 79 -6.600 5.216 -2.425 504 HB2 LEU 79 HB2 LEU 79 -4.228 6.906 -2.900 505 HB3 LEU 79 HB1 LEU 79 -5.772 7.644 -3.271 506 HG LEU 79 HG LEU 79 -6.535 7.314 -0.993 507 HD11 LEU 79 HD11 LEU 79 -5.038 6.418 0.731 508 HD12 LEU 79 HD12 LEU 79 -3.862 6.002 -0.518 509 HD13 LEU 79 HD13 LEU 79 -5.437 5.209 -0.489 510 HD21 LEU 79 HD21 LEU 79 -4.976 8.796 0.155 511 HD22 LEU 79 HD22 LEU 79 -5.272 9.332 -1.499 512 HD23 LEU 79 HD23 LEU 79 -3.769 8.502 -1.096 513 H GLU 80 HN GLU 80 -4.743 4.993 -5.348 514 HA GLU 80 HA GLU 80 -6.727 6.165 -7.053 515 HB2 GLU 80 HB2 GLU 80 -4.428 4.306 -7.698 516 HB3 GLU 80 HB1 GLU 80 -5.396 5.182 -8.882 517 HG2 GLU 80 HG2 GLU 80 -4.627 7.304 -7.826 518 HG3 GLU 80 HG1 GLU 80 -3.546 6.347 -6.817 519 H LEU 81 HN LEU 81 -5.920 2.965 -5.925 520 HA LEU 81 HA LEU 81 -7.706 1.473 -7.529 521 HB2 LEU 81 HB2 LEU 81 -5.726 0.666 -6.145 522 HB3 LEU 81 HB1 LEU 81 -6.770 0.814 -4.754 523 HG LEU 81 HG LEU 81 -7.488 -0.946 -7.076 524 HD11 LEU 81 HD11 LEU 81 -6.532 -2.810 -5.775 525 HD12 LEU 81 HD12 LEU 81 -5.867 -1.643 -4.631 526 HD13 LEU 81 HD13 LEU 81 -5.309 -1.658 -6.303 527 HD21 LEU 81 HD21 LEU 81 -9.280 -0.404 -5.483 528 HD22 LEU 81 HD22 LEU 81 -8.278 -0.999 -4.162 529 HD23 LEU 81 HD23 LEU 81 -8.840 -2.110 -5.411 530 H LEU 82 HN LEU 82 -7.899 2.814 -4.274 531 HA LEU 82 HA LEU 82 -10.582 2.087 -3.771 532 HB2 LEU 82 HB2 LEU 82 -8.508 3.774 -2.509 533 HB3 LEU 82 HB1 LEU 82 -10.167 4.129 -2.075 534 HG LEU 82 HG LEU 82 -10.485 2.047 -1.077 535 HD11 LEU 82 HD11 LEU 82 -8.873 0.181 -1.231 536 HD12 LEU 82 HD12 LEU 82 -7.973 1.102 -2.437 537 HD13 LEU 82 HD13 LEU 82 -9.626 0.582 -2.772 538 HD21 LEU 82 HD21 LEU 82 -9.060 3.520 0.241 539 HD22 LEU 82 HD22 LEU 82 -7.630 2.815 -0.512 540 HD23 LEU 82 HD23 LEU 82 -8.658 1.827 0.526 541 H ASN 83 HN ASN 83 -9.290 4.466 -5.782 542 HA ASN 83 HA ASN 83 -11.592 6.231 -5.607 543 HB2 ASN 83 HB2 ASN 83 -9.384 7.186 -6.102 544 HB3 ASN 83 HB1 ASN 83 -9.260 6.181 -7.540 545 HD21 ASN 83 HD21 ASN 83 -10.853 8.917 -6.086 546 HD22 ASN 83 HD22 ASN 83 -11.459 9.592 -7.556 547 H LYS 84 HN LYS 84 -10.953 3.278 -6.877 548 HA LYS 84 HA LYS 84 -12.778 3.633 -9.150 549 HB2 LYS 84 HB2 LYS 84 -10.552 1.629 -8.761 550 HB3 LYS 84 HB1 LYS 84 -11.699 1.585 -10.093 551 HG2 LYS 84 HG2 LYS 84 -10.872 3.585 -11.008 552 HG3 LYS 84 HG1 LYS 84 -9.976 3.972 -9.541 553 HD2 LYS 84 HD2 LYS 84 -8.492 2.076 -9.934 554 HD3 LYS 84 HD1 LYS 84 -9.413 1.642 -11.376 555 HE2 LYS 84 HE2 LYS 84 -7.429 2.818 -12.045 556 HE3 LYS 84 HE1 LYS 84 -8.828 3.846 -12.351 557 HZ1 LYS 84 HZ1 LYS 84 -7.038 5.101 -11.356 558 HZ2 LYS 84 HZ2 LYS 84 -6.988 4.054 -10.033 559 HZ3 LYS 84 HZ3 LYS 84 -8.344 5.029 -10.286 560 H THR 85 HN THR 85 -13.841 3.384 -6.672 561 HA THR 85 HA THR 85 -14.611 0.570 -6.398 562 HB THR 85 HB THR 85 -15.563 1.306 -4.183 563 HG1 THR 85 HG1 THR 85 -15.514 3.630 -4.950 564 HG21 THR 85 HG21 THR 85 -13.388 1.456 -3.060 565 HG22 THR 85 HG22 THR 85 -12.611 1.799 -4.606 566 HG23 THR 85 HG23 THR 85 -13.369 0.230 -4.328 Start of MODEL 7 1 H1 ASN 15 HT1 ASN 15 -5.160 4.848 4.184 2 H2 ASN 15 HT2 ASN 15 -3.866 4.174 5.036 3 H3 ASN 15 HT3 ASN 15 -4.593 5.591 5.593 4 HA ASN 15 HA ASN 15 -5.849 2.920 5.444 5 HB2 ASN 15 HB2 ASN 15 -5.844 2.973 7.881 6 HB3 ASN 15 HB1 ASN 15 -4.203 3.159 7.277 7 HD21 ASN 15 HD21 ASN 15 -3.109 5.055 7.641 8 HD22 ASN 15 HD22 ASN 15 -3.710 6.310 8.669 9 H ASP 16 HN ASP 16 -6.362 6.302 5.364 10 HA ASP 16 HA ASP 16 -8.695 6.442 6.977 11 HB2 ASP 16 HB2 ASP 16 -7.308 8.257 5.067 12 HB3 ASP 16 HB1 ASP 16 -8.978 8.618 5.477 13 H ILE 17 HN ILE 17 -8.213 6.200 3.458 14 HA ILE 17 HA ILE 17 -10.949 6.339 2.817 15 HB ILE 17 HB ILE 17 -8.631 5.186 1.265 16 HG12 ILE 17 HG12 ILE 17 -9.156 7.217 -0.175 17 HG13 ILE 17 HG11 ILE 17 -10.217 7.744 1.121 18 HG21 ILE 17 HG21 ILE 17 -10.662 4.019 0.581 19 HG22 ILE 17 HG22 ILE 17 -10.106 5.110 -0.688 20 HG23 ILE 17 HG23 ILE 17 -11.473 5.563 0.328 21 HD11 ILE 17 HD11 ILE 17 -8.339 7.816 2.645 22 HD12 ILE 17 HD12 ILE 17 -8.073 8.850 1.240 23 HD13 ILE 17 HD13 ILE 17 -7.262 7.287 1.353 24 H CYS 18 HN CYS 18 -8.842 3.688 3.670 25 HA CYS 18 HA CYS 18 -10.660 1.596 2.988 26 HB2 CYS 18 HB2 CYS 18 -8.206 1.255 3.255 27 HB3 CYS 18 HB1 CYS 18 -8.378 1.549 4.980 28 HG CYS 18 HG CYS 18 -9.650 -0.755 5.601 29 H LEU 19 HN LEU 19 -9.911 3.416 5.873 30 HA LEU 19 HA LEU 19 -11.525 2.029 7.712 31 HB2 LEU 19 HB2 LEU 19 -9.723 3.654 8.225 32 HB3 LEU 19 HB1 LEU 19 -10.771 4.943 7.698 33 HG LEU 19 HG LEU 19 -12.353 4.371 9.512 34 HD11 LEU 19 HD11 LEU 19 -10.184 2.463 10.374 35 HD12 LEU 19 HD12 LEU 19 -11.784 2.017 9.784 36 HD13 LEU 19 HD13 LEU 19 -11.616 2.886 11.309 37 HD21 LEU 19 HD21 LEU 19 -9.530 4.917 10.413 38 HD22 LEU 19 HD22 LEU 19 -11.000 5.284 11.316 39 HD23 LEU 19 HD23 LEU 19 -10.666 6.116 9.796 40 H ARG 20 HN ARG 20 -12.094 4.951 5.786 41 HA ARG 20 HA ARG 20 -14.658 5.547 6.734 42 HB2 ARG 20 HB2 ARG 20 -13.175 7.075 5.439 43 HB3 ARG 20 HB1 ARG 20 -13.510 6.128 3.998 44 HG2 ARG 20 HG2 ARG 20 -15.884 6.701 4.176 45 HG3 ARG 20 HG1 ARG 20 -15.535 7.673 5.606 46 HD2 ARG 20 HD2 ARG 20 -14.022 9.069 4.251 47 HD3 ARG 20 HD1 ARG 20 -14.453 8.122 2.828 48 HE ARG 20 HE ARG 20 -16.834 9.045 3.879 49 HH11 ARG 20 HH11 ARG 20 -13.895 10.431 2.587 50 HH12 ARG 20 HH12 ARG 20 -14.662 11.890 2.048 51 HH21 ARG 20 HH21 ARG 20 -17.860 10.960 3.155 52 HH22 ARG 20 HH22 ARG 20 -16.920 12.187 2.363 53 H LYS 21 HN LYS 21 -13.597 3.437 4.132 54 HA LYS 21 HA LYS 21 -16.163 3.076 2.950 55 HB2 LYS 21 HB2 LYS 21 -13.482 1.795 2.680 56 HB3 LYS 21 HB1 LYS 21 -14.886 1.042 1.927 57 HG2 LYS 21 HG2 LYS 21 -14.009 3.885 1.466 58 HG3 LYS 21 HG1 LYS 21 -13.635 2.524 0.404 59 HD2 LYS 21 HD2 LYS 21 -16.447 3.226 1.162 60 HD3 LYS 21 HD1 LYS 21 -15.647 3.969 -0.210 61 HE2 LYS 21 HE2 LYS 21 -15.226 1.692 -1.112 62 HE3 LYS 21 HE1 LYS 21 -16.167 1.034 0.223 63 HZ1 LYS 21 HZ1 LYS 21 -18.079 2.296 -0.572 64 HZ2 LYS 21 HZ2 LYS 21 -17.511 1.233 -1.756 65 HZ3 LYS 21 HZ3 LYS 21 -17.170 2.883 -1.871 66 H ASN 22 HN ASN 22 -15.349 2.288 5.878 67 HA ASN 22 HA ASN 22 -15.999 0.820 7.461 68 HB2 ASN 22 HB2 ASN 22 -18.245 1.342 6.487 69 HB3 ASN 22 HB1 ASN 22 -18.082 -0.072 5.453 70 HD21 ASN 22 HD21 ASN 22 -19.914 -1.020 6.355 71 HD22 ASN 22 HD22 ASN 22 -19.905 -1.712 7.939 72 H TRP 23 HN TRP 23 -13.960 0.116 5.620 73 HA TRP 23 HA TRP 23 -14.144 -2.802 5.495 74 HB2 TRP 23 HB2 TRP 23 -12.018 -0.868 4.536 75 HB3 TRP 23 HB1 TRP 23 -11.915 -2.611 4.370 76 HD1 TRP 23 HD1 TRP 23 -15.150 -2.753 3.411 77 HE1 TRP 23 HE1 TRP 23 -15.589 -2.187 0.926 78 HE3 TRP 23 HE3 TRP 23 -10.871 -0.188 2.412 79 HZ2 TRP 23 HZ2 TRP 23 -14.239 -0.849 -1.187 80 HZ3 TRP 23 HZ3 TRP 23 -10.514 0.704 0.163 81 HH2 TRP 23 HH2 TRP 23 -12.160 0.385 -1.603 82 HA PRO 24 HA PRO 24 -11.562 -3.256 9.120 83 HB2 PRO 24 HB2 PRO 24 -9.905 -5.285 8.419 84 HB3 PRO 24 HB1 PRO 24 -11.596 -5.531 8.860 85 HG2 PRO 24 HG2 PRO 24 -10.344 -5.388 6.152 86 HG3 PRO 24 HG1 PRO 24 -11.601 -6.485 6.747 87 HD2 PRO 24 HD2 PRO 24 -12.149 -4.318 5.216 88 HD3 PRO 24 HD1 PRO 24 -13.276 -4.932 6.438 89 H MET 25 HN MET 25 -8.922 -3.818 9.436 90 HA MET 25 HA MET 25 -7.701 -1.439 8.380 91 HB2 MET 25 HB2 MET 25 -6.565 -3.617 10.135 92 HB3 MET 25 HB1 MET 25 -5.789 -2.078 9.787 93 HG2 MET 25 HG2 MET 25 -8.514 -2.101 10.985 94 HG3 MET 25 HG1 MET 25 -7.121 -2.442 12.000 95 HE1 MET 25 HE1 MET 25 -8.241 1.595 10.087 96 HE2 MET 25 HE2 MET 25 -9.103 0.064 9.918 97 HE3 MET 25 HE3 MET 25 -7.626 0.355 8.999 98 HA PRO 26 HA PRO 26 -5.961 -3.434 4.847 99 HB2 PRO 26 HB2 PRO 26 -3.955 -1.354 4.688 100 HB3 PRO 26 HB1 PRO 26 -5.336 -1.640 3.636 101 HG2 PRO 26 HG2 PRO 26 -5.145 0.499 5.316 102 HG3 PRO 26 HG1 PRO 26 -6.684 -0.205 4.788 103 HD2 PRO 26 HD2 PRO 26 -5.241 -0.517 7.382 104 HD3 PRO 26 HD1 PRO 26 -6.982 -0.418 7.055 105 H SER 27 HN SER 27 -3.992 -4.332 4.060 106 HA SER 27 HA SER 27 -2.208 -5.202 6.182 107 HB2 SER 27 HB2 SER 27 -3.123 -6.781 4.450 108 HB3 SER 27 HB1 SER 27 -2.157 -5.931 3.249 109 HG SER 27 HG SER 27 -0.934 -7.631 3.900 110 H TYR 28 HN TYR 28 -0.024 -4.726 6.295 111 HA TYR 28 HA TYR 28 1.121 -3.063 4.231 112 HB2 TYR 28 HB2 TYR 28 0.868 -2.219 7.115 113 HB3 TYR 28 HB1 TYR 28 2.144 -1.590 6.082 114 HD1 TYR 28 HD2 TYR 28 -1.483 -1.612 6.712 115 HD2 TYR 28 HD1 TYR 28 1.656 0.034 4.342 116 HE1 TYR 28 HE2 TYR 28 -3.008 0.141 5.910 117 HE2 TYR 28 HE1 TYR 28 0.139 1.785 3.537 118 HH TYR 28 HH TYR 28 -2.269 2.154 3.272 119 H ARG 29 HN ARG 29 2.891 -4.242 3.682 120 HA ARG 29 HA ARG 29 4.560 -5.371 5.782 121 HB2 ARG 29 HB2 ARG 29 4.541 -7.604 4.767 122 HB3 ARG 29 HB1 ARG 29 2.933 -7.140 5.299 123 HG2 ARG 29 HG2 ARG 29 2.290 -6.619 3.030 124 HG3 ARG 29 HG1 ARG 29 3.923 -6.963 2.460 125 HD2 ARG 29 HD2 ARG 29 3.656 -9.294 3.262 126 HD3 ARG 29 HD1 ARG 29 1.985 -8.919 3.686 127 HE ARG 29 HE ARG 29 2.165 -8.215 1.065 128 HH11 ARG 29 HH11 ARG 29 2.843 -11.154 2.842 129 HH12 ARG 29 HH12 ARG 29 2.508 -12.191 1.493 130 HH21 ARG 29 HH21 ARG 29 1.724 -9.561 -0.701 131 HH22 ARG 29 HH22 ARG 29 1.878 -11.288 -0.532 132 H CYS 30 HN CYS 30 6.657 -5.227 5.283 133 HA CYS 30 HA CYS 30 7.481 -3.861 2.950 134 HB2 CYS 30 HB2 CYS 30 8.694 -3.740 5.093 135 HB3 CYS 30 HB1 CYS 30 9.148 -5.432 4.924 136 HG CYS 30 HG CYS 30 11.085 -5.132 3.182 137 H VAL 31 HN VAL 31 7.763 -4.625 0.980 138 HA VAL 31 HA VAL 31 7.741 -7.487 0.527 139 HB VAL 31 HB VAL 31 7.745 -5.211 -1.463 140 HG11 VAL 31 HG11 VAL 31 8.625 -7.253 -2.448 141 HG12 VAL 31 HG12 VAL 31 7.018 -6.907 -3.086 142 HG13 VAL 31 HG13 VAL 31 7.230 -8.158 -1.861 143 HG21 VAL 31 HG21 VAL 31 5.486 -6.917 -0.423 144 HG22 VAL 31 HG22 VAL 31 5.359 -5.730 -1.721 145 HG23 VAL 31 HG23 VAL 31 5.747 -5.206 -0.082 146 H LYS 32 HN LYS 32 9.893 -4.721 -0.074 147 HA LYS 32 HA LYS 32 12.103 -6.630 -0.286 148 HB2 LYS 32 HB2 LYS 32 11.379 -5.901 -2.586 149 HB3 LYS 32 HB1 LYS 32 11.809 -4.260 -2.125 150 HG2 LYS 32 HG2 LYS 32 14.121 -5.085 -1.658 151 HG3 LYS 32 HG1 LYS 32 13.643 -6.624 -2.373 152 HD2 LYS 32 HD2 LYS 32 13.095 -5.462 -4.468 153 HD3 LYS 32 HD1 LYS 32 13.620 -3.938 -3.746 154 HE2 LYS 32 HE2 LYS 32 15.318 -6.376 -4.262 155 HE3 LYS 32 HE1 LYS 32 15.391 -4.840 -5.123 156 HZ1 LYS 32 HZ1 LYS 32 16.046 -5.266 -2.256 157 HZ2 LYS 32 HZ2 LYS 32 16.071 -3.774 -3.048 158 HZ3 LYS 32 HZ3 LYS 32 17.153 -4.988 -3.503 159 H GLU 33 HN GLU 33 13.674 -6.114 1.045 160 HA GLU 33 HA GLU 33 14.448 -3.347 1.448 161 HB2 GLU 33 HB2 GLU 33 12.827 -3.751 3.264 162 HB3 GLU 33 HB1 GLU 33 13.758 -5.148 3.782 163 HG2 GLU 33 HG2 GLU 33 15.673 -3.656 4.235 164 HG3 GLU 33 HG1 GLU 33 14.661 -2.278 3.814 165 H GLY 34 HN GLY 34 16.633 -3.134 1.837 166 HA2 GLY 34 HA2 GLY 34 18.803 -3.782 2.308 167 HA3 GLY 34 HA1 GLY 34 18.202 -5.374 2.739 168 H GLY 35 HN GLY 35 20.066 -6.182 1.621 169 HA2 GLY 35 HA2 GLY 35 20.016 -7.424 -0.659 170 HA3 GLY 35 HA1 GLY 35 20.090 -5.782 -1.283 171 HA PRO 36 HA PRO 36 24.499 -7.136 -1.181 172 HB2 PRO 36 HB2 PRO 36 24.524 -4.653 -2.843 173 HB3 PRO 36 HB1 PRO 36 25.340 -6.196 -3.112 174 HG2 PRO 36 HG2 PRO 36 23.170 -5.561 -4.509 175 HG3 PRO 36 HG1 PRO 36 23.426 -7.220 -3.936 176 HD2 PRO 36 HD2 PRO 36 21.594 -5.115 -2.888 177 HD3 PRO 36 HD1 PRO 36 21.353 -6.871 -2.985 178 H ALA 37 HN ALA 37 23.805 -3.660 -1.413 179 HA ALA 37 HA ALA 37 24.230 -3.054 1.302 180 HB1 ALA 37 HB1 ALA 37 26.584 -3.627 0.715 181 HB2 ALA 37 HB2 ALA 37 26.374 -1.966 1.265 182 HB3 ALA 37 HB3 ALA 37 26.569 -2.306 -0.453 183 H HIS 38 HN HIS 38 24.550 -1.939 -2.018 184 HA HIS 38 HA HIS 38 23.709 0.744 -1.402 185 HB2 HIS 38 HB2 HIS 38 23.767 1.078 -3.858 186 HB3 HIS 38 HB1 HIS 38 25.262 0.391 -3.239 187 HD1 HIS 38 HD1 HIS 38 26.063 -1.710 -4.330 188 HD2 HIS 38 HD2 HIS 38 22.077 -0.910 -5.202 189 HE1 HIS 38 HE1 HIS 38 25.383 -3.434 -6.024 190 HE2 HIS 38 HE2 HIS 38 22.963 -2.952 -6.523 191 H ALA 39 HN ALA 39 21.875 -1.616 -0.851 192 HA ALA 39 HA ALA 39 19.632 -0.792 -2.573 193 HB1 ALA 39 HB1 ALA 39 20.159 -3.545 -1.467 194 HB2 ALA 39 HB2 ALA 39 20.422 -3.035 -3.135 195 HB3 ALA 39 HB3 ALA 39 18.788 -3.071 -2.469 196 H LYS 40 HN LYS 40 20.146 0.520 -0.167 197 HA LYS 40 HA LYS 40 18.298 -0.590 1.780 198 HB2 LYS 40 HB2 LYS 40 20.507 0.738 2.278 199 HB3 LYS 40 HB1 LYS 40 19.477 2.139 2.036 200 HG2 LYS 40 HG2 LYS 40 19.549 1.688 4.366 201 HG3 LYS 40 HG1 LYS 40 17.944 1.257 3.772 202 HD2 LYS 40 HD2 LYS 40 18.589 -1.098 3.715 203 HD3 LYS 40 HD1 LYS 40 20.207 -0.675 4.279 204 HE2 LYS 40 HE2 LYS 40 19.218 0.240 6.343 205 HE3 LYS 40 HE1 LYS 40 17.622 -0.254 5.780 206 HZ1 LYS 40 HZ1 LYS 40 18.524 -1.861 7.320 207 HZ2 LYS 40 HZ2 LYS 40 19.901 -2.065 6.363 208 HZ3 LYS 40 HZ3 LYS 40 18.392 -2.556 5.785 209 H ARG 41 HN ARG 41 17.711 0.586 -0.998 210 HA ARG 41 HA ARG 41 15.587 2.440 -0.269 211 HB2 ARG 41 HB2 ARG 41 16.122 1.127 -2.945 212 HB3 ARG 41 HB1 ARG 41 14.967 2.412 -2.641 213 HG2 ARG 41 HG2 ARG 41 16.778 3.924 -2.039 214 HG3 ARG 41 HG1 ARG 41 17.950 2.638 -2.320 215 HD2 ARG 41 HD2 ARG 41 17.897 4.082 -4.237 216 HD3 ARG 41 HD1 ARG 41 17.200 2.523 -4.673 217 HE ARG 41 HE ARG 41 15.076 4.126 -3.928 218 HH11 ARG 41 HH11 ARG 41 17.596 4.196 -6.362 219 HH12 ARG 41 HH12 ARG 41 16.632 5.062 -7.515 220 HH21 ARG 41 HH21 ARG 41 13.813 5.294 -5.441 221 HH22 ARG 41 HH22 ARG 41 14.499 5.718 -6.982 222 H PHE 42 HN PHE 42 13.510 1.877 0.006 223 HA PHE 42 HA PHE 42 13.078 -1.025 0.262 224 HB2 PHE 42 HB2 PHE 42 11.503 1.075 1.734 225 HB3 PHE 42 HB1 PHE 42 11.725 -0.620 2.151 226 HD1 PHE 42 HD1 PHE 42 14.522 -1.082 2.213 227 HD2 PHE 42 HD2 PHE 42 12.405 2.438 3.317 228 HE1 PHE 42 HE1 PHE 42 16.369 -0.444 3.719 229 HE2 PHE 42 HE2 PHE 42 14.236 3.074 4.827 230 HZ PHE 42 HZ PHE 42 16.216 1.632 5.034 231 H THR 43 HN THR 43 11.260 -1.973 -0.471 232 HA THR 43 HA THR 43 9.329 -0.299 -1.927 233 HB THR 43 HB THR 43 10.417 -2.953 -2.901 234 HG1 THR 43 HG1 THR 43 11.300 -0.363 -3.206 235 HG21 THR 43 HG21 THR 43 8.130 -2.490 -3.630 236 HG22 THR 43 HG22 THR 43 9.255 -2.385 -4.983 237 HG23 THR 43 HG23 THR 43 8.634 -0.913 -4.236 238 H PHE 44 HN PHE 44 7.246 -0.740 -1.325 239 HA PHE 44 HA PHE 44 6.737 -3.279 0.032 240 HB2 PHE 44 HB2 PHE 44 6.762 -2.118 1.981 241 HB3 PHE 44 HB1 PHE 44 6.764 -0.567 1.145 242 HD1 PHE 44 HD2 PHE 44 4.614 -3.297 2.348 243 HD2 PHE 44 HD1 PHE 44 4.834 0.724 1.012 244 HE1 PHE 44 HE2 PHE 44 2.311 -2.921 3.098 245 HE2 PHE 44 HE1 PHE 44 2.541 1.109 1.776 246 HZ PHE 44 HZ PHE 44 1.211 -0.742 2.626 247 H GLY 45 HN GLY 45 4.411 -3.830 0.071 248 HA2 GLY 45 HA2 GLY 45 2.832 -2.333 -1.925 249 HA3 GLY 45 HA1 GLY 45 2.922 -4.088 -1.973 250 H VAL 46 HN VAL 46 0.640 -2.163 -1.523 251 HA VAL 46 HA VAL 46 -0.118 -2.876 1.243 252 HB VAL 46 HB VAL 46 -1.805 -1.024 -0.353 253 HG11 VAL 46 HG11 VAL 46 -1.963 0.114 1.848 254 HG12 VAL 46 HG12 VAL 46 -0.921 -1.140 2.517 255 HG13 VAL 46 HG13 VAL 46 -2.502 -1.564 1.859 256 HG21 VAL 46 HG21 VAL 46 0.348 -0.152 -0.933 257 HG22 VAL 46 HG22 VAL 46 0.866 -0.200 0.751 258 HG23 VAL 46 HG23 VAL 46 -0.404 0.915 0.252 259 H ARG 47 HN ARG 47 -2.327 -3.584 1.659 260 HA ARG 47 HA ARG 47 -3.769 -4.621 -0.661 261 HB2 ARG 47 HB2 ARG 47 -2.264 -6.224 1.047 262 HB3 ARG 47 HB1 ARG 47 -3.873 -6.279 1.749 263 HG2 ARG 47 HG2 ARG 47 -3.727 -8.135 0.348 264 HG3 ARG 47 HG1 ARG 47 -4.718 -6.955 -0.512 265 HD2 ARG 47 HD2 ARG 47 -2.817 -6.307 -1.861 266 HD3 ARG 47 HD1 ARG 47 -1.766 -7.386 -0.948 267 HE ARG 47 HE ARG 47 -4.008 -8.340 -2.621 268 HH11 ARG 47 HH11 ARG 47 -0.687 -8.632 -1.491 269 HH12 ARG 47 HH12 ARG 47 -0.359 -10.031 -2.458 270 HH21 ARG 47 HH21 ARG 47 -3.554 -10.188 -3.880 271 HH22 ARG 47 HH22 ARG 47 -1.978 -10.913 -3.815 272 H VAL 48 HN VAL 48 -5.991 -4.442 -0.370 273 HA VAL 48 HA VAL 48 -6.943 -3.633 2.295 274 HB VAL 48 HB VAL 48 -7.541 -2.292 -0.337 275 HG11 VAL 48 HG11 VAL 48 -9.674 -2.699 0.750 276 HG12 VAL 48 HG12 VAL 48 -9.256 -0.986 0.807 277 HG13 VAL 48 HG13 VAL 48 -9.058 -1.990 2.243 278 HG21 VAL 48 HG21 VAL 48 -5.616 -1.512 1.011 279 HG22 VAL 48 HG22 VAL 48 -6.727 -1.175 2.339 280 HG23 VAL 48 HG23 VAL 48 -6.871 -0.288 0.821 281 H ASN 49 HN ASN 49 -9.163 -4.209 2.762 282 HA ASN 49 HA ASN 49 -9.984 -6.532 1.178 283 HB2 ASN 49 HB2 ASN 49 -9.531 -6.778 3.660 284 HB3 ASN 49 HB1 ASN 49 -10.977 -5.811 3.935 285 HD21 ASN 49 HD21 ASN 49 -12.985 -6.710 3.575 286 HD22 ASN 49 HD22 ASN 49 -13.217 -8.396 3.268 287 H THR 50 HN THR 50 -10.973 -5.499 -0.387 288 HA THR 50 HA THR 50 -13.127 -3.606 -0.044 289 HB THR 50 HB THR 50 -13.737 -4.068 -2.421 290 HG1 THR 50 HG1 THR 50 -11.520 -5.872 -2.259 291 HG21 THR 50 HG21 THR 50 -10.827 -3.486 -1.877 292 HG22 THR 50 HG22 THR 50 -12.147 -2.317 -1.906 293 HG23 THR 50 HG23 THR 50 -11.668 -3.143 -3.388 294 H SER 51 HN SER 51 -14.936 -4.020 0.861 295 HA SER 51 HA SER 51 -15.894 -6.419 1.737 296 HB2 SER 51 HB2 SER 51 -17.311 -3.861 1.051 297 HB3 SER 51 HB1 SER 51 -18.127 -5.205 1.858 298 HG SER 51 HG SER 51 -17.317 -3.729 3.375 299 H ASP 52 HN ASP 52 -16.247 -5.124 -1.480 300 HA ASP 52 HA ASP 52 -18.408 -6.965 -2.112 301 HB2 ASP 52 HB2 ASP 52 -18.531 -5.810 -4.226 302 HB3 ASP 52 HB1 ASP 52 -18.482 -4.634 -2.918 303 H ARG 53 HN ARG 53 -14.969 -6.986 -2.295 304 HA ARG 53 HA ARG 53 -15.094 -9.115 -4.320 305 HB2 ARG 53 HB2 ARG 53 -14.410 -6.774 -5.186 306 HB3 ARG 53 HB1 ARG 53 -12.892 -7.068 -4.344 307 HG2 ARG 53 HG2 ARG 53 -12.297 -7.888 -6.353 308 HG3 ARG 53 HG1 ARG 53 -13.106 -9.344 -5.761 309 HD2 ARG 53 HD2 ARG 53 -13.909 -8.815 -7.985 310 HD3 ARG 53 HD1 ARG 53 -15.191 -8.568 -6.800 311 HE ARG 53 HE ARG 53 -13.934 -6.129 -7.100 312 HH11 ARG 53 HH11 ARG 53 -15.716 -8.338 -9.144 313 HH12 ARG 53 HH12 ARG 53 -16.362 -7.081 -10.149 314 HH21 ARG 53 HH21 ARG 53 -14.783 -4.475 -8.410 315 HH22 ARG 53 HH22 ARG 53 -15.831 -4.882 -9.732 316 H GLY 54 HN GLY 54 -13.084 -7.442 -1.939 317 HA2 GLY 54 HA2 GLY 54 -12.278 -8.909 -0.100 318 HA3 GLY 54 HA1 GLY 54 -11.742 -9.995 -1.367 319 H TRP 55 HN TRP 55 -9.664 -9.861 -0.391 320 HA TRP 55 HA TRP 55 -8.094 -7.617 -0.101 321 HB2 TRP 55 HB2 TRP 55 -7.480 -10.472 -0.740 322 HB3 TRP 55 HB1 TRP 55 -6.184 -9.285 -0.799 323 HD1 TRP 55 HD1 TRP 55 -7.461 -11.690 1.518 324 HE1 TRP 55 HE1 TRP 55 -6.965 -11.052 3.962 325 HE3 TRP 55 HE3 TRP 55 -6.307 -6.785 0.829 326 HZ2 TRP 55 HZ2 TRP 55 -6.182 -8.736 5.405 327 HZ3 TRP 55 HZ3 TRP 55 -5.701 -5.421 2.773 328 HH2 TRP 55 HH2 TRP 55 -5.635 -6.365 5.004 329 H THR 56 HN THR 56 -7.364 -6.136 -1.403 330 HA THR 56 HA THR 56 -7.977 -6.184 -4.191 331 HB THR 56 HB THR 56 -6.831 -3.971 -4.228 332 HG1 THR 56 HG1 THR 56 -5.454 -3.619 -2.668 333 HG21 THR 56 HG21 THR 56 -8.841 -4.378 -2.016 334 HG22 THR 56 HG22 THR 56 -9.208 -4.109 -3.720 335 HG23 THR 56 HG23 THR 56 -8.448 -2.832 -2.769 336 H ASP 57 HN ASP 57 -6.231 -5.316 -5.759 337 HA ASP 57 HA ASP 57 -4.054 -7.124 -5.923 338 HB2 ASP 57 HB2 ASP 57 -4.586 -4.504 -7.332 339 HB3 ASP 57 HB1 ASP 57 -3.199 -5.520 -7.685 340 H GLU 58 HN GLU 58 -2.054 -6.974 -5.166 341 HA GLU 58 HA GLU 58 -1.492 -5.181 -3.078 342 HB2 GLU 58 HB2 GLU 58 -0.530 -7.476 -3.345 343 HB3 GLU 58 HB1 GLU 58 0.512 -6.816 -4.587 344 HG2 GLU 58 HG2 GLU 58 1.707 -5.516 -3.075 345 HG3 GLU 58 HG1 GLU 58 0.467 -5.673 -1.828 346 H CYS 59 HN CYS 59 -1.136 -3.170 -3.308 347 HA CYS 59 HA CYS 59 -0.132 -2.062 -5.786 348 HB2 CYS 59 HB2 CYS 59 -0.984 -0.670 -3.237 349 HB3 CYS 59 HB1 CYS 59 -0.666 0.109 -4.784 350 HG CYS 59 HG CYS 59 -2.949 -2.306 -5.025 351 H ILE 60 HN ILE 60 1.977 -2.492 -5.957 352 HA ILE 60 HA ILE 60 3.832 -2.237 -3.792 353 HB ILE 60 HB ILE 60 4.230 -2.598 -6.767 354 HG12 ILE 60 HG12 ILE 60 3.078 -4.455 -5.579 355 HG13 ILE 60 HG11 ILE 60 4.624 -4.919 -6.283 356 HG21 ILE 60 HG21 ILE 60 6.522 -3.231 -6.253 357 HG22 ILE 60 HG22 ILE 60 6.246 -2.830 -4.558 358 HG23 ILE 60 HG23 ILE 60 6.185 -1.566 -5.784 359 HD11 ILE 60 HD11 ILE 60 5.680 -4.786 -4.125 360 HD12 ILE 60 HD12 ILE 60 4.276 -5.852 -4.048 361 HD13 ILE 60 HD13 ILE 60 4.181 -4.215 -3.402 362 H GLY 61 HN GLY 61 4.764 -0.437 -3.137 363 HA2 GLY 61 HA2 GLY 61 4.426 2.024 -4.615 364 HA3 GLY 61 HA1 GLY 61 5.129 1.848 -3.013 365 H GLU 62 HN GLU 62 6.589 3.470 -4.005 366 HA GLU 62 HA GLU 62 8.424 2.549 -6.041 367 HB2 GLU 62 HB2 GLU 62 8.425 5.102 -4.425 368 HB3 GLU 62 HB1 GLU 62 9.380 4.787 -5.868 369 HG2 GLU 62 HG2 GLU 62 7.319 4.594 -7.178 370 HG3 GLU 62 HG1 GLU 62 6.378 4.943 -5.728 371 HA PRO 63 HA PRO 63 11.765 1.280 -3.308 372 HB2 PRO 63 HB2 PRO 63 13.549 2.500 -5.320 373 HB3 PRO 63 HB1 PRO 63 13.488 0.832 -4.743 374 HG2 PRO 63 HG2 PRO 63 12.640 1.513 -7.197 375 HG3 PRO 63 HG1 PRO 63 11.860 0.229 -6.258 376 HD2 PRO 63 HD2 PRO 63 10.959 3.038 -6.739 377 HD3 PRO 63 HD1 PRO 63 10.006 1.544 -6.645 378 H MET 64 HN MET 64 11.703 2.659 -1.556 379 HA MET 64 HA MET 64 12.530 5.450 -2.010 380 HB2 MET 64 HB2 MET 64 10.644 4.381 0.090 381 HB3 MET 64 HB1 MET 64 11.071 6.069 -0.165 382 HG2 MET 64 HG2 MET 64 9.604 4.304 -2.109 383 HG3 MET 64 HG1 MET 64 8.898 5.553 -1.095 384 HE1 MET 64 HE1 MET 64 10.521 8.021 -1.151 385 HE2 MET 64 HE2 MET 64 8.831 8.049 -1.655 386 HE3 MET 64 HE3 MET 64 10.058 8.846 -2.640 387 HA PRO 65 HA PRO 65 15.846 4.533 0.758 388 HB2 PRO 65 HB2 PRO 65 16.690 7.038 1.292 389 HB3 PRO 65 HB1 PRO 65 16.922 6.279 -0.287 390 HG2 PRO 65 HG2 PRO 65 14.835 8.241 0.581 391 HG3 PRO 65 HG1 PRO 65 15.773 8.200 -0.923 392 HD2 PRO 65 HD2 PRO 65 13.213 7.290 -0.736 393 HD3 PRO 65 HD1 PRO 65 14.397 6.631 -1.882 394 H SER 66 HN SER 66 12.910 5.610 1.836 395 HA SER 66 HA SER 66 13.774 5.387 4.601 396 HB2 SER 66 HB2 SER 66 13.704 7.801 4.207 397 HB3 SER 66 HB1 SER 66 12.100 7.664 3.494 398 HG SER 66 HG SER 66 12.782 7.037 6.184 399 H VAL 67 HN VAL 67 12.297 4.327 5.846 400 HA VAL 67 HA VAL 67 10.496 2.609 4.533 401 HB VAL 67 HB VAL 67 9.745 1.917 6.782 402 HG11 VAL 67 HG11 VAL 67 11.919 1.106 7.591 403 HG12 VAL 67 HG12 VAL 67 12.729 2.220 6.489 404 HG13 VAL 67 HG13 VAL 67 11.738 0.910 5.848 405 HG21 VAL 67 HG21 VAL 67 10.760 2.918 8.771 406 HG22 VAL 67 HG22 VAL 67 9.793 4.093 7.881 407 HG23 VAL 67 HG23 VAL 67 11.552 4.124 7.762 408 H LYS 68 HN LYS 68 10.044 5.714 6.020 409 HA LYS 68 HA LYS 68 7.230 5.601 6.296 410 HB2 LYS 68 HB2 LYS 68 9.116 7.941 6.011 411 HB3 LYS 68 HB1 LYS 68 7.400 8.107 6.352 412 HG2 LYS 68 HG2 LYS 68 7.692 6.847 8.427 413 HG3 LYS 68 HG1 LYS 68 9.417 6.696 8.085 414 HD2 LYS 68 HD2 LYS 68 9.737 9.051 8.264 415 HD3 LYS 68 HD1 LYS 68 7.997 9.342 8.323 416 HE2 LYS 68 HE2 LYS 68 9.594 7.853 10.402 417 HE3 LYS 68 HE1 LYS 68 9.057 9.525 10.536 418 HZ1 LYS 68 HZ1 LYS 68 7.333 7.117 10.370 419 HZ2 LYS 68 HZ2 LYS 68 6.752 8.701 10.332 420 HZ3 LYS 68 HZ3 LYS 68 7.540 8.123 11.712 421 H LYS 69 HN LYS 69 9.374 6.664 3.700 422 HA LYS 69 HA LYS 69 7.264 7.763 2.109 423 HB2 LYS 69 HB2 LYS 69 10.050 7.007 1.214 424 HB3 LYS 69 HB1 LYS 69 8.962 8.158 0.452 425 HG2 LYS 69 HG2 LYS 69 9.148 9.618 2.395 426 HG3 LYS 69 HG1 LYS 69 10.242 8.464 3.155 427 HD2 LYS 69 HD2 LYS 69 11.651 10.088 2.233 428 HD3 LYS 69 HD1 LYS 69 11.700 8.760 1.074 429 HE2 LYS 69 HE2 LYS 69 10.128 9.905 -0.363 430 HE3 LYS 69 HE1 LYS 69 9.928 11.189 0.827 431 HZ1 LYS 69 HZ1 LYS 69 12.247 11.785 0.528 432 HZ2 LYS 69 HZ2 LYS 69 11.429 11.850 -0.949 433 HZ3 LYS 69 HZ3 LYS 69 12.450 10.548 -0.607 434 H ALA 70 HN ALA 70 8.859 4.697 2.474 435 HA ALA 70 HA ALA 70 8.103 3.431 0.110 436 HB1 ALA 70 HB1 ALA 70 8.356 2.216 2.862 437 HB2 ALA 70 HB2 ALA 70 9.676 2.460 1.718 438 HB3 ALA 70 HB3 ALA 70 8.372 1.338 1.333 439 H LYS 71 HN LYS 71 6.442 3.228 3.274 440 HA LYS 71 HA LYS 71 4.116 2.003 2.460 441 HB2 LYS 71 HB2 LYS 71 4.487 4.098 4.607 442 HB3 LYS 71 HB1 LYS 71 3.086 3.047 4.454 443 HG2 LYS 71 HG2 LYS 71 4.424 1.106 4.903 444 HG3 LYS 71 HG1 LYS 71 5.902 2.071 4.879 445 HD2 LYS 71 HD2 LYS 71 5.124 3.317 6.829 446 HD3 LYS 71 HD1 LYS 71 3.635 2.373 6.847 447 HE2 LYS 71 HE2 LYS 71 6.412 1.242 7.177 448 HE3 LYS 71 HE1 LYS 71 5.299 1.590 8.498 449 HZ1 LYS 71 HZ1 LYS 71 3.749 -0.014 7.554 450 HZ2 LYS 71 HZ2 LYS 71 5.233 -0.738 7.905 451 HZ3 LYS 71 HZ3 LYS 71 4.836 -0.359 6.307 452 H ASP 72 HN ASP 72 4.737 5.495 2.769 453 HA ASP 72 HA ASP 72 2.292 6.447 1.951 454 HB2 ASP 72 HB2 ASP 72 5.051 7.583 1.763 455 HB3 ASP 72 HB1 ASP 72 3.699 8.446 1.037 456 H SER 73 HN SER 73 5.073 5.691 -0.189 457 HA SER 73 HA SER 73 3.816 6.687 -2.502 458 HB2 SER 73 HB2 SER 73 5.571 5.466 -3.742 459 HB3 SER 73 HB1 SER 73 6.237 6.382 -2.390 460 HG SER 73 HG SER 73 6.383 4.469 -1.214 461 H ALA 74 HN ALA 74 3.861 3.469 -1.036 462 HA ALA 74 HA ALA 74 2.519 2.152 -3.180 463 HB1 ALA 74 HB1 ALA 74 2.488 1.378 -0.263 464 HB2 ALA 74 HB2 ALA 74 3.831 1.034 -1.358 465 HB3 ALA 74 HB3 ALA 74 2.244 0.329 -1.663 466 H ALA 75 HN ALA 75 1.474 3.524 -0.133 467 HA ALA 75 HA ALA 75 -1.245 3.037 -0.194 468 HB1 ALA 75 HB1 ALA 75 0.102 5.524 0.854 469 HB2 ALA 75 HB2 ALA 75 -0.072 4.001 1.727 470 HB3 ALA 75 HB3 ALA 75 -1.501 4.940 1.296 471 H VAL 76 HN VAL 76 0.557 5.572 -1.903 472 HA VAL 76 HA VAL 76 -1.674 7.112 -2.704 473 HB VAL 76 HB VAL 76 1.027 6.815 -4.035 474 HG11 VAL 76 HG11 VAL 76 -0.629 7.677 -5.610 475 HG12 VAL 76 HG12 VAL 76 0.523 8.933 -5.154 476 HG13 VAL 76 HG13 VAL 76 -1.093 8.922 -4.450 477 HG21 VAL 76 HG21 VAL 76 1.552 8.930 -2.918 478 HG22 VAL 76 HG22 VAL 76 1.162 7.661 -1.755 479 HG23 VAL 76 HG23 VAL 76 -0.029 8.905 -2.136 480 H LEU 77 HN LEU 77 -0.103 4.278 -4.072 481 HA LEU 77 HA LEU 77 -1.607 4.353 -6.527 482 HB2 LEU 77 HB2 LEU 77 0.104 2.195 -5.291 483 HB3 LEU 77 HB1 LEU 77 -0.595 2.120 -6.893 484 HG LEU 77 HG LEU 77 1.462 4.119 -5.961 485 HD11 LEU 77 HD11 LEU 77 2.952 2.965 -7.506 486 HD12 LEU 77 HD12 LEU 77 1.679 1.801 -7.871 487 HD13 LEU 77 HD13 LEU 77 2.367 1.876 -6.249 488 HD21 LEU 77 HD21 LEU 77 0.003 5.137 -7.591 489 HD22 LEU 77 HD22 LEU 77 0.157 3.737 -8.650 490 HD23 LEU 77 HD23 LEU 77 1.555 4.766 -8.343 491 H LEU 78 HN LEU 78 -1.797 2.858 -3.415 492 HA LEU 78 HA LEU 78 -3.933 1.088 -3.865 493 HB2 LEU 78 HB2 LEU 78 -2.466 1.074 -1.906 494 HB3 LEU 78 HB1 LEU 78 -3.121 2.616 -1.406 495 HG LEU 78 HG LEU 78 -5.378 1.409 -1.285 496 HD11 LEU 78 HD11 LEU 78 -5.276 -0.984 -0.890 497 HD12 LEU 78 HD12 LEU 78 -3.543 -0.987 -1.202 498 HD13 LEU 78 HD13 LEU 78 -4.672 -0.609 -2.502 499 HD21 LEU 78 HD21 LEU 78 -3.049 1.089 0.563 500 HD22 LEU 78 HD22 LEU 78 -4.627 0.414 0.980 501 HD23 LEU 78 HD23 LEU 78 -4.452 2.148 0.708 502 H LEU 79 HN LEU 79 -3.812 4.456 -2.808 503 HA LEU 79 HA LEU 79 -6.557 4.804 -2.355 504 HB2 LEU 79 HB2 LEU 79 -4.208 6.548 -2.650 505 HB3 LEU 79 HB1 LEU 79 -5.752 7.304 -2.983 506 HG LEU 79 HG LEU 79 -6.558 6.766 -0.763 507 HD11 LEU 79 HD11 LEU 79 -5.111 5.703 0.898 508 HD12 LEU 79 HD12 LEU 79 -3.891 5.424 -0.344 509 HD13 LEU 79 HD13 LEU 79 -5.458 4.622 -0.451 510 HD21 LEU 79 HD21 LEU 79 -5.288 8.826 -1.042 511 HD22 LEU 79 HD22 LEU 79 -3.793 7.962 -0.681 512 HD23 LEU 79 HD23 LEU 79 -5.033 8.135 0.561 513 H GLU 80 HN GLU 80 -4.710 4.998 -5.334 514 HA GLU 80 HA GLU 80 -6.909 6.214 -6.745 515 HB2 GLU 80 HB2 GLU 80 -5.556 5.546 -8.816 516 HB3 GLU 80 HB1 GLU 80 -4.912 6.798 -7.752 517 HG2 GLU 80 HG2 GLU 80 -3.407 5.255 -6.763 518 HG3 GLU 80 HG1 GLU 80 -4.120 3.907 -7.643 519 H LEU 81 HN LEU 81 -5.725 2.999 -6.151 520 HA LEU 81 HA LEU 81 -7.403 1.610 -7.955 521 HB2 LEU 81 HB2 LEU 81 -5.418 0.667 -6.749 522 HB3 LEU 81 HB1 LEU 81 -6.367 0.689 -5.283 523 HG LEU 81 HG LEU 81 -7.304 -0.865 -7.674 524 HD11 LEU 81 HD11 LEU 81 -5.016 -1.583 -7.239 525 HD12 LEU 81 HD12 LEU 81 -6.167 -2.830 -6.759 526 HD13 LEU 81 HD13 LEU 81 -5.402 -1.814 -5.536 527 HD21 LEU 81 HD21 LEU 81 -8.877 -0.536 -5.825 528 HD22 LEU 81 HD22 LEU 81 -7.702 -1.221 -4.703 529 HD23 LEU 81 HD23 LEU 81 -8.402 -2.228 -5.970 530 H LEU 82 HN LEU 82 -7.694 2.513 -4.567 531 HA LEU 82 HA LEU 82 -10.335 1.682 -4.148 532 HB2 LEU 82 HB2 LEU 82 -8.361 3.413 -2.816 533 HB3 LEU 82 HB1 LEU 82 -10.034 3.742 -2.417 534 HG LEU 82 HG LEU 82 -10.337 1.680 -1.412 535 HD11 LEU 82 HD11 LEU 82 -9.550 0.188 -3.087 536 HD12 LEU 82 HD12 LEU 82 -8.711 -0.195 -1.584 537 HD13 LEU 82 HD13 LEU 82 -7.883 0.716 -2.849 538 HD21 LEU 82 HD21 LEU 82 -7.469 2.410 -0.871 539 HD22 LEU 82 HD22 LEU 82 -8.495 1.423 0.170 540 HD23 LEU 82 HD23 LEU 82 -8.885 3.122 -0.097 541 H ASN 83 HN ASN 83 -9.079 4.403 -5.867 542 HA ASN 83 HA ASN 83 -11.553 5.919 -5.679 543 HB2 ASN 83 HB2 ASN 83 -9.101 6.839 -5.849 544 HB3 ASN 83 HB1 ASN 83 -9.291 6.529 -7.569 545 HD21 ASN 83 HD21 ASN 83 -8.892 9.034 -6.192 546 HD22 ASN 83 HD22 ASN 83 -10.244 10.039 -6.588 547 H LYS 84 HN LYS 84 -10.470 3.290 -7.307 548 HA LYS 84 HA LYS 84 -12.166 3.797 -9.656 549 HB2 LYS 84 HB2 LYS 84 -9.787 1.950 -9.373 550 HB3 LYS 84 HB1 LYS 84 -10.807 2.054 -10.803 551 HG2 LYS 84 HG2 LYS 84 -10.021 4.157 -11.371 552 HG3 LYS 84 HG1 LYS 84 -9.439 4.487 -9.739 553 HD2 LYS 84 HD2 LYS 84 -7.546 4.083 -11.171 554 HD3 LYS 84 HD1 LYS 84 -7.713 2.724 -10.058 555 HE2 LYS 84 HE2 LYS 84 -7.230 1.872 -12.250 556 HE3 LYS 84 HE1 LYS 84 -8.901 1.479 -11.850 557 HZ1 LYS 84 HZ1 LYS 84 -8.045 3.763 -13.538 558 HZ2 LYS 84 HZ2 LYS 84 -9.640 3.319 -13.201 559 HZ3 LYS 84 HZ3 LYS 84 -8.657 2.300 -14.121 560 H THR 85 HN THR 85 -13.199 3.039 -7.220 561 HA THR 85 HA THR 85 -13.668 0.161 -7.370 562 HB THR 85 HB THR 85 -14.909 0.622 -5.159 563 HG1 THR 85 HG1 THR 85 -13.257 2.887 -4.928 564 HG21 THR 85 HG21 THR 85 -12.758 -0.507 -5.258 565 HG22 THR 85 HG22 THR 85 -12.794 0.607 -3.891 566 HG23 THR 85 HG23 THR 85 -11.926 1.045 -5.364 Start of MODEL 8 1 H1 ASN 15 HT1 ASN 15 -4.733 5.842 5.144 2 H2 ASN 15 HT2 ASN 15 -5.749 7.104 5.625 3 H3 ASN 15 HT3 ASN 15 -6.033 6.299 4.165 4 HA ASN 15 HA ASN 15 -6.507 4.259 5.343 5 HB2 ASN 15 HB2 ASN 15 -6.742 4.260 7.770 6 HB3 ASN 15 HB1 ASN 15 -5.105 4.724 7.328 7 HD21 ASN 15 HD21 ASN 15 -6.709 5.229 9.753 8 HD22 ASN 15 HD22 ASN 15 -6.690 6.945 9.965 9 H ASP 16 HN ASP 16 -7.537 7.519 5.318 10 HA ASP 16 HA ASP 16 -10.060 7.240 6.556 11 HB2 ASP 16 HB2 ASP 16 -9.090 9.265 4.532 12 HB3 ASP 16 HB1 ASP 16 -10.618 9.379 5.396 13 H ILE 17 HN ILE 17 -9.031 7.046 3.175 14 HA ILE 17 HA ILE 17 -11.546 6.837 2.010 15 HB ILE 17 HB ILE 17 -8.898 5.723 1.092 16 HG12 ILE 17 HG12 ILE 17 -9.168 7.578 -0.607 17 HG13 ILE 17 HG11 ILE 17 -10.534 8.144 0.340 18 HG21 ILE 17 HG21 ILE 17 -9.913 5.373 -1.101 19 HG22 ILE 17 HG22 ILE 17 -11.487 5.829 -0.447 20 HG23 ILE 17 HG23 ILE 17 -10.682 4.369 0.129 21 HD11 ILE 17 HD11 ILE 17 -9.113 8.565 2.222 22 HD12 ILE 17 HD12 ILE 17 -8.469 9.379 0.796 23 HD13 ILE 17 HD13 ILE 17 -7.725 7.887 1.372 24 H CYS 18 HN CYS 18 -9.426 4.350 3.346 25 HA CYS 18 HA CYS 18 -11.082 2.150 2.605 26 HB2 CYS 18 HB2 CYS 18 -8.617 2.032 3.102 27 HB3 CYS 18 HB1 CYS 18 -9.000 2.285 4.801 28 HG CYS 18 HG CYS 18 -9.793 -0.144 5.370 29 H LEU 19 HN LEU 19 -10.646 4.095 5.499 30 HA LEU 19 HA LEU 19 -12.299 2.651 7.256 31 HB2 LEU 19 HB2 LEU 19 -10.662 4.451 7.827 32 HB3 LEU 19 HB1 LEU 19 -11.814 5.619 7.236 33 HG LEU 19 HG LEU 19 -13.425 4.869 8.971 34 HD11 LEU 19 HD11 LEU 19 -12.586 3.498 10.830 35 HD12 LEU 19 HD12 LEU 19 -11.096 3.213 9.931 36 HD13 LEU 19 HD13 LEU 19 -12.631 2.608 9.309 37 HD21 LEU 19 HD21 LEU 19 -10.739 5.757 10.019 38 HD22 LEU 19 HD22 LEU 19 -12.286 5.935 10.848 39 HD23 LEU 19 HD23 LEU 19 -11.983 6.808 9.345 40 H ARG 20 HN ARG 20 -12.927 5.494 5.244 41 HA ARG 20 HA ARG 20 -15.586 5.939 5.825 42 HB2 ARG 20 HB2 ARG 20 -14.086 7.425 4.563 43 HB3 ARG 20 HB1 ARG 20 -14.111 6.306 3.218 44 HG2 ARG 20 HG2 ARG 20 -16.501 6.720 2.915 45 HG3 ARG 20 HG1 ARG 20 -16.468 7.854 4.271 46 HD2 ARG 20 HD2 ARG 20 -14.965 8.092 1.665 47 HD3 ARG 20 HD1 ARG 20 -16.313 9.094 2.206 48 HE ARG 20 HE ARG 20 -14.657 9.624 4.138 49 HH11 ARG 20 HH11 ARG 20 -13.837 9.226 0.751 50 HH12 ARG 20 HH12 ARG 20 -12.439 10.255 0.850 51 HH21 ARG 20 HH21 ARG 20 -12.820 10.955 4.260 52 HH22 ARG 20 HH22 ARG 20 -11.863 11.236 2.839 53 H LYS 21 HN LYS 21 -14.152 3.683 3.529 54 HA LYS 21 HA LYS 21 -16.608 2.932 2.285 55 HB2 LYS 21 HB2 LYS 21 -13.794 2.291 2.056 56 HB3 LYS 21 HB1 LYS 21 -14.790 0.848 1.934 57 HG2 LYS 21 HG2 LYS 21 -15.098 3.330 0.261 58 HG3 LYS 21 HG1 LYS 21 -14.336 1.823 -0.251 59 HD2 LYS 21 HD2 LYS 21 -16.460 0.645 0.173 60 HD3 LYS 21 HD1 LYS 21 -17.204 2.191 0.575 61 HE2 LYS 21 HE2 LYS 21 -15.999 1.413 -2.070 62 HE3 LYS 21 HE1 LYS 21 -17.715 1.555 -1.716 63 HZ1 LYS 21 HZ1 LYS 21 -17.394 3.917 -1.304 64 HZ2 LYS 21 HZ2 LYS 21 -16.893 3.505 -2.866 65 HZ3 LYS 21 HZ3 LYS 21 -15.747 3.773 -1.654 66 H ASN 22 HN ASN 22 -15.576 2.462 5.301 67 HA ASN 22 HA ASN 22 -16.300 1.233 7.054 68 HB2 ASN 22 HB2 ASN 22 -18.519 1.324 5.885 69 HB3 ASN 22 HB1 ASN 22 -18.117 -0.202 5.113 70 HD21 ASN 22 HD21 ASN 22 -19.803 -1.310 6.047 71 HD22 ASN 22 HD22 ASN 22 -19.849 -1.708 7.728 72 H TRP 23 HN TRP 23 -14.223 0.428 5.032 73 HA TRP 23 HA TRP 23 -14.072 -2.451 5.372 74 HB2 TRP 23 HB2 TRP 23 -12.134 -0.472 4.153 75 HB3 TRP 23 HB1 TRP 23 -11.900 -2.212 4.174 76 HD1 TRP 23 HD1 TRP 23 -15.096 -2.746 3.339 77 HE1 TRP 23 HE1 TRP 23 -15.672 -2.462 0.841 78 HE3 TRP 23 HE3 TRP 23 -11.127 0.127 1.926 79 HZ2 TRP 23 HZ2 TRP 23 -14.557 -1.201 -1.433 80 HZ3 TRP 23 HZ3 TRP 23 -10.953 0.835 -0.416 81 HH2 TRP 23 HH2 TRP 23 -12.626 0.181 -2.064 82 HA PRO 24 HA PRO 24 -11.431 -2.324 8.977 83 HB2 PRO 24 HB2 PRO 24 -9.743 -4.383 8.469 84 HB3 PRO 24 HB1 PRO 24 -11.418 -4.624 8.976 85 HG2 PRO 24 HG2 PRO 24 -10.240 -4.719 6.226 86 HG3 PRO 24 HG1 PRO 24 -11.410 -5.817 6.980 87 HD2 PRO 24 HD2 PRO 24 -12.163 -3.882 5.261 88 HD3 PRO 24 HD1 PRO 24 -13.181 -4.374 6.628 89 H MET 25 HN MET 25 -8.785 -2.725 9.292 90 HA MET 25 HA MET 25 -7.619 -0.572 7.772 91 HB2 MET 25 HB2 MET 25 -6.418 -2.333 9.904 92 HB3 MET 25 HB1 MET 25 -5.705 -0.859 9.267 93 HG2 MET 25 HG2 MET 25 -8.414 -0.790 10.504 94 HG3 MET 25 HG1 MET 25 -6.984 -0.834 11.522 95 HE1 MET 25 HE1 MET 25 -7.915 1.264 8.094 96 HE2 MET 25 HE2 MET 25 -8.503 2.667 8.982 97 HE3 MET 25 HE3 MET 25 -9.268 1.095 9.213 98 HA PRO 26 HA PRO 26 -5.945 -3.193 4.651 99 HB2 PRO 26 HB2 PRO 26 -3.894 -1.159 4.209 100 HB3 PRO 26 HB1 PRO 26 -5.182 -1.697 3.135 101 HG2 PRO 26 HG2 PRO 26 -5.203 0.732 4.309 102 HG3 PRO 26 HG1 PRO 26 -6.689 -0.168 3.955 103 HD2 PRO 26 HD2 PRO 26 -5.248 0.174 6.551 104 HD3 PRO 26 HD1 PRO 26 -6.992 0.142 6.218 105 H SER 27 HN SER 27 -3.965 -4.174 3.951 106 HA SER 27 HA SER 27 -2.224 -4.896 6.154 107 HB2 SER 27 HB2 SER 27 -3.082 -6.584 4.538 108 HB3 SER 27 HB1 SER 27 -2.184 -5.768 3.265 109 HG SER 27 HG SER 27 -0.370 -6.587 3.973 110 H TYR 28 HN TYR 28 0.025 -4.532 6.225 111 HA TYR 28 HA TYR 28 1.193 -2.876 4.169 112 HB2 TYR 28 HB2 TYR 28 0.908 -2.003 7.046 113 HB3 TYR 28 HB1 TYR 28 2.169 -1.364 6.001 114 HD1 TYR 28 HD1 TYR 28 1.623 0.146 4.160 115 HD2 TYR 28 HD2 TYR 28 -1.428 -1.384 6.710 116 HE1 TYR 28 HE1 TYR 28 0.075 1.850 3.316 117 HE2 TYR 28 HE2 TYR 28 -2.988 0.318 5.864 118 HH TYR 28 HH TYR 28 -2.293 2.230 3.107 119 H ARG 29 HN ARG 29 2.959 -4.044 3.649 120 HA ARG 29 HA ARG 29 4.823 -4.874 5.666 121 HB2 ARG 29 HB2 ARG 29 3.285 -6.766 5.745 122 HB3 ARG 29 HB1 ARG 29 3.383 -6.936 4.001 123 HG2 ARG 29 HG2 ARG 29 5.772 -7.487 4.199 124 HG3 ARG 29 HG1 ARG 29 5.633 -7.365 5.952 125 HD2 ARG 29 HD2 ARG 29 4.109 -9.286 4.206 126 HD3 ARG 29 HD1 ARG 29 5.526 -9.690 5.171 127 HE ARG 29 HE ARG 29 4.204 -9.211 7.151 128 HH11 ARG 29 HH11 ARG 29 2.450 -9.657 4.151 129 HH12 ARG 29 HH12 ARG 29 0.957 -10.057 4.936 130 HH21 ARG 29 HH21 ARG 29 2.243 -9.762 8.183 131 HH22 ARG 29 HH22 ARG 29 0.839 -10.117 7.225 132 H CYS 30 HN CYS 30 6.776 -4.573 4.848 133 HA CYS 30 HA CYS 30 7.094 -3.695 2.168 134 HB2 CYS 30 HB2 CYS 30 8.440 -3.233 4.445 135 HB3 CYS 30 HB1 CYS 30 9.469 -4.489 3.769 136 HG CYS 30 HG CYS 30 10.597 -3.074 1.897 137 H VAL 31 HN VAL 31 7.614 -4.815 0.385 138 HA VAL 31 HA VAL 31 7.804 -7.686 0.584 139 HB VAL 31 HB VAL 31 7.893 -7.682 -1.870 140 HG11 VAL 31 HG11 VAL 31 5.637 -6.808 -2.256 141 HG12 VAL 31 HG12 VAL 31 5.723 -5.940 -0.723 142 HG13 VAL 31 HG13 VAL 31 5.740 -7.704 -0.739 143 HG21 VAL 31 HG21 VAL 31 7.553 -5.590 -3.121 144 HG22 VAL 31 HG22 VAL 31 9.106 -5.635 -2.287 145 HG23 VAL 31 HG23 VAL 31 7.777 -4.683 -1.626 146 H LYS 32 HN LYS 32 9.886 -4.974 -0.229 147 HA LYS 32 HA LYS 32 12.171 -6.720 0.375 148 HB2 LYS 32 HB2 LYS 32 12.113 -6.218 -2.067 149 HB3 LYS 32 HB1 LYS 32 12.103 -4.507 -1.680 150 HG2 LYS 32 HG2 LYS 32 14.283 -4.823 -0.506 151 HG3 LYS 32 HG1 LYS 32 14.319 -6.464 -1.152 152 HD2 LYS 32 HD2 LYS 32 14.409 -5.671 -3.389 153 HD3 LYS 32 HD1 LYS 32 14.041 -4.021 -2.885 154 HE2 LYS 32 HE2 LYS 32 16.544 -5.552 -2.176 155 HE3 LYS 32 HE1 LYS 32 16.424 -4.324 -3.434 156 HZ1 LYS 32 HZ1 LYS 32 17.325 -3.318 -1.483 157 HZ2 LYS 32 HZ2 LYS 32 16.086 -3.924 -0.511 158 HZ3 LYS 32 HZ3 LYS 32 15.745 -2.734 -1.664 159 H GLU 33 HN GLU 33 13.297 -5.943 2.032 160 HA GLU 33 HA GLU 33 13.612 -3.055 2.338 161 HB2 GLU 33 HB2 GLU 33 11.717 -3.787 3.807 162 HB3 GLU 33 HB1 GLU 33 12.839 -4.845 4.650 163 HG2 GLU 33 HG2 GLU 33 14.161 -2.897 5.318 164 HG3 GLU 33 HG1 GLU 33 13.013 -1.845 4.491 165 H GLY 34 HN GLY 34 15.614 -2.467 3.093 166 HA2 GLY 34 HA2 GLY 34 17.777 -2.718 3.828 167 HA3 GLY 34 HA1 GLY 34 17.333 -4.306 4.435 168 H GLY 35 HN GLY 35 19.179 -5.293 3.700 169 HA2 GLY 35 HA2 GLY 35 19.958 -6.729 1.915 170 HA3 GLY 35 HA1 GLY 35 19.442 -5.493 0.771 171 HA PRO 36 HA PRO 36 24.020 -4.919 1.451 172 HB2 PRO 36 HB2 PRO 36 23.791 -4.115 -1.384 173 HB3 PRO 36 HB1 PRO 36 24.949 -5.200 -0.612 174 HG2 PRO 36 HG2 PRO 36 22.988 -6.123 -2.186 175 HG3 PRO 36 HG1 PRO 36 23.558 -7.023 -0.771 176 HD2 PRO 36 HD2 PRO 36 21.076 -5.411 -1.118 177 HD3 PRO 36 HD1 PRO 36 21.333 -6.910 -0.206 178 H ALA 37 HN ALA 37 25.219 -2.897 1.278 179 HA ALA 37 HA ALA 37 23.857 -0.718 2.249 180 HB1 ALA 37 HB1 ALA 37 26.433 -0.625 0.690 181 HB2 ALA 37 HB2 ALA 37 26.288 -1.031 2.400 182 HB3 ALA 37 HB3 ALA 37 25.854 0.582 1.837 183 H HIS 38 HN HIS 38 24.789 -1.310 -1.122 184 HA HIS 38 HA HIS 38 23.815 1.194 -2.068 185 HB2 HIS 38 HB2 HIS 38 24.264 0.360 -4.293 186 HB3 HIS 38 HB1 HIS 38 25.586 -0.102 -3.230 187 HD1 HIS 38 HD1 HIS 38 26.117 -2.560 -3.044 188 HD2 HIS 38 HD2 HIS 38 22.554 -1.837 -5.063 189 HE1 HIS 38 HE1 HIS 38 25.406 -4.779 -3.978 190 HE2 HIS 38 HE2 HIS 38 23.339 -4.288 -5.332 191 H ALA 39 HN ALA 39 22.184 -1.595 -1.117 192 HA ALA 39 HA ALA 39 19.932 -0.993 -2.925 193 HB1 ALA 39 HB1 ALA 39 19.297 -3.340 -2.787 194 HB2 ALA 39 HB2 ALA 39 20.670 -3.655 -1.729 195 HB3 ALA 39 HB3 ALA 39 20.941 -3.167 -3.400 196 H LYS 40 HN LYS 40 20.334 0.324 -0.460 197 HA LYS 40 HA LYS 40 18.574 -0.904 1.476 198 HB2 LYS 40 HB2 LYS 40 20.657 0.728 1.843 199 HB3 LYS 40 HB1 LYS 40 19.378 1.931 1.769 200 HG2 LYS 40 HG2 LYS 40 19.651 1.424 4.043 201 HG3 LYS 40 HG1 LYS 40 18.175 0.610 3.534 202 HD2 LYS 40 HD2 LYS 40 19.382 -1.495 3.340 203 HD3 LYS 40 HD1 LYS 40 20.888 -0.689 3.782 204 HE2 LYS 40 HE2 LYS 40 19.897 -0.091 5.959 205 HE3 LYS 40 HE1 LYS 40 18.435 -0.970 5.517 206 HZ1 LYS 40 HZ1 LYS 40 19.736 -2.996 5.382 207 HZ2 LYS 40 HZ2 LYS 40 19.892 -2.298 6.910 208 HZ3 LYS 40 HZ3 LYS 40 21.145 -2.154 5.787 209 H ARG 41 HN ARG 41 17.715 0.046 -1.265 210 HA ARG 41 HA ARG 41 15.671 2.008 -0.597 211 HB2 ARG 41 HB2 ARG 41 15.757 0.352 -3.121 212 HB3 ARG 41 HB1 ARG 41 14.911 1.859 -2.857 213 HG2 ARG 41 HG2 ARG 41 17.907 1.645 -2.804 214 HG3 ARG 41 HG1 ARG 41 16.983 2.011 -4.261 215 HD2 ARG 41 HD2 ARG 41 16.937 3.614 -1.705 216 HD3 ARG 41 HD1 ARG 41 17.832 4.040 -3.162 217 HE ARG 41 HE ARG 41 14.977 3.673 -3.502 218 HH11 ARG 41 HH11 ARG 41 17.602 5.926 -2.971 219 HH12 ARG 41 HH12 ARG 41 16.684 7.311 -3.473 220 HH21 ARG 41 HH21 ARG 41 13.758 5.485 -4.156 221 HH22 ARG 41 HH22 ARG 41 14.495 7.060 -4.147 222 H PHE 42 HN PHE 42 13.530 1.552 -0.285 223 HA PHE 42 HA PHE 42 13.008 -1.275 0.329 224 HB2 PHE 42 HB2 PHE 42 11.593 1.082 1.575 225 HB3 PHE 42 HB1 PHE 42 11.630 -0.584 2.141 226 HD1 PHE 42 HD1 PHE 42 14.464 -1.249 2.107 227 HD2 PHE 42 HD2 PHE 42 12.536 2.377 3.216 228 HE1 PHE 42 HE1 PHE 42 16.368 -0.687 3.564 229 HE2 PHE 42 HE2 PHE 42 14.424 2.937 4.678 230 HZ PHE 42 HZ PHE 42 16.343 1.406 4.859 231 H THR 43 HN THR 43 11.345 -2.245 -0.551 232 HA THR 43 HA THR 43 9.497 -0.658 -2.209 233 HB THR 43 HB THR 43 10.384 -3.515 -2.735 234 HG1 THR 43 HG1 THR 43 11.534 -2.286 -4.549 235 HG21 THR 43 HG21 THR 43 8.996 -1.469 -4.481 236 HG22 THR 43 HG22 THR 43 8.241 -2.876 -3.732 237 HG23 THR 43 HG23 THR 43 9.472 -3.093 -4.976 238 H PHE 44 HN PHE 44 7.282 -0.990 -1.655 239 HA PHE 44 HA PHE 44 6.689 -3.299 0.002 240 HB2 PHE 44 HB2 PHE 44 6.844 -1.904 1.814 241 HB3 PHE 44 HB1 PHE 44 6.744 -0.453 0.825 242 HD1 PHE 44 HD2 PHE 44 4.665 -3.231 2.124 243 HD2 PHE 44 HD1 PHE 44 4.839 0.835 0.908 244 HE1 PHE 44 HE2 PHE 44 2.374 -2.891 2.929 245 HE2 PHE 44 HE1 PHE 44 2.553 1.180 1.730 246 HZ PHE 44 HZ PHE 44 1.258 -0.690 2.549 247 H GLY 45 HN GLY 45 4.439 -3.865 -0.069 248 HA2 GLY 45 HA2 GLY 45 2.860 -2.381 -2.072 249 HA3 GLY 45 HA1 GLY 45 2.934 -4.136 -2.076 250 H VAL 46 HN VAL 46 0.691 -2.134 -1.657 251 HA VAL 46 HA VAL 46 -0.164 -2.902 1.070 252 HB VAL 46 HB VAL 46 -1.775 -0.957 -0.476 253 HG11 VAL 46 HG11 VAL 46 -0.848 -1.168 2.374 254 HG12 VAL 46 HG12 VAL 46 -2.461 -1.480 1.730 255 HG13 VAL 46 HG13 VAL 46 -1.822 0.165 1.756 256 HG21 VAL 46 HG21 VAL 46 -0.312 0.938 0.105 257 HG22 VAL 46 HG22 VAL 46 0.401 -0.148 -1.087 258 HG23 VAL 46 HG23 VAL 46 0.937 -0.210 0.590 259 H ARG 47 HN ARG 47 -2.389 -3.659 1.339 260 HA ARG 47 HA ARG 47 -3.929 -4.097 -1.070 261 HB2 ARG 47 HB2 ARG 47 -4.435 -6.455 -0.361 262 HB3 ARG 47 HB1 ARG 47 -2.788 -6.216 -0.924 263 HG2 ARG 47 HG2 ARG 47 -2.067 -6.090 1.444 264 HG3 ARG 47 HG1 ARG 47 -3.717 -6.462 1.925 265 HD2 ARG 47 HD2 ARG 47 -2.558 -8.506 1.993 266 HD3 ARG 47 HD1 ARG 47 -3.515 -8.550 0.515 267 HE ARG 47 HE ARG 47 -0.792 -7.615 0.193 268 HH11 ARG 47 HH11 ARG 47 -2.966 -10.367 0.111 269 HH12 ARG 47 HH12 ARG 47 -1.894 -11.339 -0.845 270 HH21 ARG 47 HH21 ARG 47 0.625 -8.895 -1.025 271 HH22 ARG 47 HH22 ARG 47 0.162 -10.516 -1.469 272 H VAL 48 HN VAL 48 -6.160 -4.218 -0.644 273 HA VAL 48 HA VAL 48 -6.932 -3.603 2.148 274 HB VAL 48 HB VAL 48 -8.035 -2.362 -0.383 275 HG11 VAL 48 HG11 VAL 48 -9.845 -2.728 1.188 276 HG12 VAL 48 HG12 VAL 48 -9.448 -1.011 1.106 277 HG13 VAL 48 HG13 VAL 48 -8.905 -1.976 2.477 278 HG21 VAL 48 HG21 VAL 48 -5.840 -1.524 0.475 279 HG22 VAL 48 HG22 VAL 48 -6.672 -1.047 1.955 280 HG23 VAL 48 HG23 VAL 48 -7.119 -0.315 0.416 281 H ASN 49 HN ASN 49 -9.070 -4.273 2.776 282 HA ASN 49 HA ASN 49 -9.883 -6.693 1.348 283 HB2 ASN 49 HB2 ASN 49 -9.375 -6.799 3.808 284 HB3 ASN 49 HB1 ASN 49 -10.773 -5.765 4.086 285 HD21 ASN 49 HD21 ASN 49 -11.731 -7.401 5.332 286 HD22 ASN 49 HD22 ASN 49 -12.468 -8.781 4.598 287 H THR 50 HN THR 50 -10.885 -5.700 -0.276 288 HA THR 50 HA THR 50 -13.056 -3.844 0.029 289 HB THR 50 HB THR 50 -13.694 -4.393 -2.325 290 HG1 THR 50 HG1 THR 50 -11.421 -6.121 -2.176 291 HG21 THR 50 HG21 THR 50 -10.800 -3.723 -1.805 292 HG22 THR 50 HG22 THR 50 -12.149 -2.592 -1.891 293 HG23 THR 50 HG23 THR 50 -11.636 -3.464 -3.336 294 H SER 51 HN SER 51 -14.885 -4.260 0.958 295 HA SER 51 HA SER 51 -15.685 -6.703 1.932 296 HB2 SER 51 HB2 SER 51 -16.469 -4.454 2.687 297 HB3 SER 51 HB1 SER 51 -17.516 -4.391 1.273 298 HG SER 51 HG SER 51 -18.696 -5.141 3.017 299 H ASP 52 HN ASP 52 -16.234 -5.404 -1.248 300 HA ASP 52 HA ASP 52 -18.343 -7.345 -1.778 301 HB2 ASP 52 HB2 ASP 52 -18.774 -6.152 -3.791 302 HB3 ASP 52 HB1 ASP 52 -18.556 -4.965 -2.512 303 H ARG 53 HN ARG 53 -14.929 -7.147 -2.195 304 HA ARG 53 HA ARG 53 -15.094 -9.321 -4.164 305 HB2 ARG 53 HB2 ARG 53 -14.565 -7.150 -5.286 306 HB3 ARG 53 HB1 ARG 53 -13.097 -7.061 -4.323 307 HG2 ARG 53 HG2 ARG 53 -12.181 -8.975 -5.387 308 HG3 ARG 53 HG1 ARG 53 -13.717 -9.348 -6.171 309 HD2 ARG 53 HD2 ARG 53 -12.237 -8.345 -7.780 310 HD3 ARG 53 HD1 ARG 53 -13.547 -7.226 -7.426 311 HE ARG 53 HE ARG 53 -10.847 -6.977 -6.259 312 HH11 ARG 53 HH11 ARG 53 -13.748 -5.550 -7.611 313 HH12 ARG 53 HH12 ARG 53 -13.107 -3.935 -7.621 314 HH21 ARG 53 HH21 ARG 53 -9.985 -4.862 -6.297 315 HH22 ARG 53 HH22 ARG 53 -10.958 -3.551 -6.883 316 H GLY 54 HN GLY 54 -12.986 -7.603 -1.881 317 HA2 GLY 54 HA2 GLY 54 -12.180 -9.106 -0.052 318 HA3 GLY 54 HA1 GLY 54 -11.654 -10.176 -1.337 319 H TRP 55 HN TRP 55 -9.579 -10.058 -0.296 320 HA TRP 55 HA TRP 55 -7.994 -7.815 -0.054 321 HB2 TRP 55 HB2 TRP 55 -7.446 -10.687 -0.575 322 HB3 TRP 55 HB1 TRP 55 -6.132 -9.556 -0.865 323 HD1 TRP 55 HD1 TRP 55 -6.935 -11.813 1.663 324 HE1 TRP 55 HE1 TRP 55 -6.242 -11.022 4.013 325 HE3 TRP 55 HE3 TRP 55 -6.399 -6.826 0.720 326 HZ2 TRP 55 HZ2 TRP 55 -5.545 -8.592 5.276 327 HZ3 TRP 55 HZ3 TRP 55 -5.721 -5.346 2.558 328 HH2 TRP 55 HH2 TRP 55 -5.316 -6.203 4.792 329 H THR 56 HN THR 56 -7.451 -6.317 -1.436 330 HA THR 56 HA THR 56 -7.864 -6.558 -4.243 331 HB THR 56 HB THR 56 -6.799 -4.319 -4.366 332 HG1 THR 56 HG1 THR 56 -5.404 -3.999 -2.795 333 HG21 THR 56 HG21 THR 56 -8.504 -3.129 -3.064 334 HG22 THR 56 HG22 THR 56 -8.878 -4.619 -2.199 335 HG23 THR 56 HG23 THR 56 -9.191 -4.501 -3.931 336 H ASP 57 HN ASP 57 -6.223 -6.211 -5.886 337 HA ASP 57 HA ASP 57 -3.926 -7.806 -5.619 338 HB2 ASP 57 HB2 ASP 57 -3.202 -6.827 -7.756 339 HB3 ASP 57 HB1 ASP 57 -4.888 -7.310 -7.809 340 H GLU 58 HN GLU 58 -2.034 -7.415 -4.785 341 HA GLU 58 HA GLU 58 -1.689 -5.237 -3.091 342 HB2 GLU 58 HB2 GLU 58 -0.611 -7.410 -2.764 343 HB3 GLU 58 HB1 GLU 58 0.448 -7.092 -4.131 344 HG2 GLU 58 HG2 GLU 58 1.497 -5.295 -2.983 345 HG3 GLU 58 HG1 GLU 58 0.310 -5.357 -1.682 346 H CYS 59 HN CYS 59 -1.005 -3.305 -3.339 347 HA CYS 59 HA CYS 59 -0.067 -2.463 -5.979 348 HB2 CYS 59 HB2 CYS 59 -1.027 -0.773 -3.660 349 HB3 CYS 59 HB1 CYS 59 -0.741 -0.226 -5.309 350 HG CYS 59 HG CYS 59 -2.907 -2.751 -5.198 351 H ILE 60 HN ILE 60 2.091 -2.789 -6.032 352 HA ILE 60 HA ILE 60 3.804 -2.207 -3.815 353 HB ILE 60 HB ILE 60 4.236 -3.108 -6.648 354 HG12 ILE 60 HG12 ILE 60 5.301 -5.017 -5.571 355 HG13 ILE 60 HG11 ILE 60 5.105 -4.270 -3.992 356 HG21 ILE 60 HG21 ILE 60 5.989 -1.494 -6.306 357 HG22 ILE 60 HG22 ILE 60 6.666 -3.122 -6.258 358 HG23 ILE 60 HG23 ILE 60 6.407 -2.228 -4.759 359 HD11 ILE 60 HD11 ILE 60 2.942 -5.280 -5.815 360 HD12 ILE 60 HD12 ILE 60 2.658 -4.385 -4.322 361 HD13 ILE 60 HD13 ILE 60 3.451 -5.961 -4.269 362 H GLY 61 HN GLY 61 4.695 -0.362 -3.320 363 HA2 GLY 61 HA2 GLY 61 4.261 1.969 -4.984 364 HA3 GLY 61 HA1 GLY 61 4.964 1.950 -3.374 365 H GLU 62 HN GLU 62 6.417 3.538 -4.401 366 HA GLU 62 HA GLU 62 8.357 2.442 -6.271 367 HB2 GLU 62 HB2 GLU 62 8.061 5.221 -5.112 368 HB3 GLU 62 HB1 GLU 62 9.189 4.757 -6.380 369 HG2 GLU 62 HG2 GLU 62 7.313 4.183 -7.838 370 HG3 GLU 62 HG1 GLU 62 6.185 4.647 -6.568 371 HA PRO 63 HA PRO 63 11.263 1.252 -3.131 372 HB2 PRO 63 HB2 PRO 63 13.264 2.130 -5.154 373 HB3 PRO 63 HB1 PRO 63 13.133 0.592 -4.297 374 HG2 PRO 63 HG2 PRO 63 12.418 0.774 -6.848 375 HG3 PRO 63 HG1 PRO 63 11.473 -0.205 -5.710 376 HD2 PRO 63 HD2 PRO 63 10.877 2.499 -6.836 377 HD3 PRO 63 HD1 PRO 63 9.777 1.149 -6.494 378 H MET 64 HN MET 64 11.632 2.502 -1.436 379 HA MET 64 HA MET 64 12.438 5.300 -1.882 380 HB2 MET 64 HB2 MET 64 10.633 4.010 0.142 381 HB3 MET 64 HB1 MET 64 11.366 5.579 0.448 382 HG2 MET 64 HG2 MET 64 9.588 4.894 -1.876 383 HG3 MET 64 HG1 MET 64 9.109 5.781 -0.430 384 HE1 MET 64 HE1 MET 64 8.410 7.084 -3.047 385 HE2 MET 64 HE2 MET 64 9.062 8.716 -2.892 386 HE3 MET 64 HE3 MET 64 8.277 7.943 -1.513 387 HA PRO 65 HA PRO 65 15.909 4.437 0.744 388 HB2 PRO 65 HB2 PRO 65 16.731 6.920 1.278 389 HB3 PRO 65 HB1 PRO 65 16.799 6.266 -0.363 390 HG2 PRO 65 HG2 PRO 65 14.819 8.148 0.848 391 HG3 PRO 65 HG1 PRO 65 15.533 8.162 -0.774 392 HD2 PRO 65 HD2 PRO 65 13.024 7.159 -0.143 393 HD3 PRO 65 HD1 PRO 65 13.954 6.747 -1.596 394 H SER 66 HN SER 66 12.996 5.308 1.973 395 HA SER 66 HA SER 66 13.897 4.913 4.675 396 HB2 SER 66 HB2 SER 66 12.458 7.458 3.876 397 HB3 SER 66 HB1 SER 66 12.694 6.923 5.540 398 HG SER 66 HG SER 66 15.034 6.880 4.213 399 H VAL 67 HN VAL 67 12.314 4.023 5.951 400 HA VAL 67 HA VAL 67 10.435 2.501 4.480 401 HB VAL 67 HB VAL 67 9.730 1.584 6.666 402 HG11 VAL 67 HG11 VAL 67 12.709 1.801 6.269 403 HG12 VAL 67 HG12 VAL 67 11.636 0.626 5.511 404 HG13 VAL 67 HG13 VAL 67 11.895 0.587 7.255 405 HG21 VAL 67 HG21 VAL 67 9.945 3.616 8.007 406 HG22 VAL 67 HG22 VAL 67 11.697 3.565 7.809 407 HG23 VAL 67 HG23 VAL 67 10.874 2.289 8.704 408 H LYS 68 HN LYS 68 10.106 5.498 6.236 409 HA LYS 68 HA LYS 68 7.311 5.223 6.730 410 HB2 LYS 68 HB2 LYS 68 9.043 7.696 6.722 411 HB3 LYS 68 HB1 LYS 68 7.393 7.618 7.319 412 HG2 LYS 68 HG2 LYS 68 9.726 6.077 8.431 413 HG3 LYS 68 HG1 LYS 68 9.031 7.542 9.128 414 HD2 LYS 68 HD2 LYS 68 6.881 6.355 9.394 415 HD3 LYS 68 HD1 LYS 68 7.636 4.890 8.765 416 HE2 LYS 68 HE2 LYS 68 8.459 6.376 11.257 417 HE3 LYS 68 HE1 LYS 68 7.544 4.872 11.209 418 HZ1 LYS 68 HZ1 LYS 68 9.921 4.536 11.649 419 HZ2 LYS 68 HZ2 LYS 68 10.296 5.205 10.143 420 HZ3 LYS 68 HZ3 LYS 68 9.418 3.762 10.233 421 H LYS 69 HN LYS 69 9.231 6.814 4.209 422 HA LYS 69 HA LYS 69 6.854 7.843 2.940 423 HB2 LYS 69 HB2 LYS 69 8.385 8.647 1.160 424 HB3 LYS 69 HB1 LYS 69 8.793 9.234 2.765 425 HG2 LYS 69 HG2 LYS 69 10.598 7.672 2.931 426 HG3 LYS 69 HG1 LYS 69 10.129 6.916 1.410 427 HD2 LYS 69 HD2 LYS 69 12.057 8.458 1.177 428 HD3 LYS 69 HD1 LYS 69 10.674 8.914 0.183 429 HE2 LYS 69 HE2 LYS 69 10.043 10.612 1.808 430 HE3 LYS 69 HE1 LYS 69 11.369 10.123 2.860 431 HZ1 LYS 69 HZ1 LYS 69 12.934 10.804 1.157 432 HZ2 LYS 69 HZ2 LYS 69 11.927 12.092 1.571 433 HZ3 LYS 69 HZ3 LYS 69 11.670 11.253 0.127 434 H ALA 70 HN ALA 70 8.750 4.984 2.828 435 HA ALA 70 HA ALA 70 8.118 3.969 0.323 436 HB1 ALA 70 HB1 ALA 70 8.268 2.437 2.919 437 HB2 ALA 70 HB2 ALA 70 9.644 2.865 1.904 438 HB3 ALA 70 HB3 ALA 70 8.411 1.758 1.298 439 H LYS 71 HN LYS 71 6.337 3.313 3.353 440 HA LYS 71 HA LYS 71 4.065 2.182 2.316 441 HB2 LYS 71 HB2 LYS 71 4.233 4.069 4.670 442 HB3 LYS 71 HB1 LYS 71 2.887 2.991 4.328 443 HG2 LYS 71 HG2 LYS 71 4.459 1.074 4.528 444 HG3 LYS 71 HG1 LYS 71 5.704 2.212 5.039 445 HD2 LYS 71 HD2 LYS 71 3.072 1.721 6.438 446 HD3 LYS 71 HD1 LYS 71 4.644 1.116 6.956 447 HE2 LYS 71 HE2 LYS 71 4.463 2.970 8.286 448 HE3 LYS 71 HE1 LYS 71 5.285 3.664 6.891 449 HZ1 LYS 71 HZ1 LYS 71 3.513 5.100 7.510 450 HZ2 LYS 71 HZ2 LYS 71 2.395 3.836 7.533 451 HZ3 LYS 71 HZ3 LYS 71 3.057 4.349 6.066 452 H ASP 72 HN ASP 72 4.667 5.650 2.868 453 HA ASP 72 HA ASP 72 2.279 6.709 2.036 454 HB2 ASP 72 HB2 ASP 72 5.084 7.736 1.794 455 HB3 ASP 72 HB1 ASP 72 3.745 8.651 1.113 456 H SER 73 HN SER 73 5.055 5.940 -0.095 457 HA SER 73 HA SER 73 3.885 6.929 -2.434 458 HB2 SER 73 HB2 SER 73 6.298 6.407 -2.142 459 HB3 SER 73 HB1 SER 73 5.904 4.689 -2.173 460 HG SER 73 HG SER 73 4.832 6.009 -4.297 461 H ALA 74 HN ALA 74 3.822 3.679 -1.006 462 HA ALA 74 HA ALA 74 2.464 2.480 -3.214 463 HB1 ALA 74 HB1 ALA 74 2.204 0.567 -1.786 464 HB2 ALA 74 HB2 ALA 74 2.551 1.534 -0.352 465 HB3 ALA 74 HB3 ALA 74 3.818 1.233 -1.546 466 H ALA 75 HN ALA 75 1.454 3.752 -0.098 467 HA ALA 75 HA ALA 75 -1.266 3.249 -0.150 468 HB1 ALA 75 HB1 ALA 75 -1.519 5.118 1.383 469 HB2 ALA 75 HB2 ALA 75 0.080 5.717 0.944 470 HB3 ALA 75 HB3 ALA 75 -0.083 4.176 1.787 471 H VAL 76 HN VAL 76 0.523 5.852 -1.773 472 HA VAL 76 HA VAL 76 -1.746 7.364 -2.530 473 HB VAL 76 HB VAL 76 0.992 7.238 -3.810 474 HG11 VAL 76 HG11 VAL 76 -0.652 8.109 -5.386 475 HG12 VAL 76 HG12 VAL 76 0.420 9.393 -4.828 476 HG13 VAL 76 HG13 VAL 76 -1.214 9.264 -4.178 477 HG21 VAL 76 HG21 VAL 76 -0.199 9.182 -1.835 478 HG22 VAL 76 HG22 VAL 76 1.393 9.322 -2.581 479 HG23 VAL 76 HG23 VAL 76 1.044 7.978 -1.493 480 H LEU 77 HN LEU 77 -0.047 4.665 -4.002 481 HA LEU 77 HA LEU 77 -1.453 4.781 -6.500 482 HB2 LEU 77 HB2 LEU 77 -0.014 2.430 -5.270 483 HB3 LEU 77 HB1 LEU 77 -0.402 2.660 -6.958 484 HG LEU 77 HG LEU 77 1.588 4.279 -5.371 485 HD11 LEU 77 HD11 LEU 77 3.251 3.204 -6.782 486 HD12 LEU 77 HD12 LEU 77 1.987 2.266 -7.578 487 HD13 LEU 77 HD13 LEU 77 2.335 2.004 -5.869 488 HD21 LEU 77 HD21 LEU 77 2.159 5.319 -7.497 489 HD22 LEU 77 HD22 LEU 77 0.470 5.621 -7.085 490 HD23 LEU 77 HD23 LEU 77 0.879 4.408 -8.298 491 H LEU 78 HN LEU 78 -1.745 3.162 -3.449 492 HA LEU 78 HA LEU 78 -3.839 1.382 -4.024 493 HB2 LEU 78 HB2 LEU 78 -2.448 1.171 -2.074 494 HB3 LEU 78 HB1 LEU 78 -2.953 2.743 -1.499 495 HG LEU 78 HG LEU 78 -5.293 1.783 -1.327 496 HD11 LEU 78 HD11 LEU 78 -4.854 -0.175 -2.769 497 HD12 LEU 78 HD12 LEU 78 -5.496 -0.615 -1.189 498 HD13 LEU 78 HD13 LEU 78 -3.777 -0.817 -1.529 499 HD21 LEU 78 HD21 LEU 78 -3.716 2.218 0.553 500 HD22 LEU 78 HD22 LEU 78 -3.173 0.545 0.417 501 HD23 LEU 78 HD23 LEU 78 -4.847 0.895 0.851 502 H LEU 79 HN LEU 79 -3.799 4.686 -2.771 503 HA LEU 79 HA LEU 79 -6.567 4.967 -2.389 504 HB2 LEU 79 HB2 LEU 79 -4.246 6.777 -2.587 505 HB3 LEU 79 HB1 LEU 79 -5.800 7.499 -2.943 506 HG LEU 79 HG LEU 79 -6.641 6.891 -0.751 507 HD11 LEU 79 HD11 LEU 79 -3.941 5.618 -0.323 508 HD12 LEU 79 HD12 LEU 79 -5.498 4.791 -0.403 509 HD13 LEU 79 HD13 LEU 79 -5.150 5.887 0.935 510 HD21 LEU 79 HD21 LEU 79 -5.461 9.001 -0.960 511 HD22 LEU 79 HD22 LEU 79 -3.929 8.197 -0.612 512 HD23 LEU 79 HD23 LEU 79 -5.181 8.287 0.628 513 H GLU 80 HN GLU 80 -4.628 5.094 -5.269 514 HA GLU 80 HA GLU 80 -6.623 6.329 -6.911 515 HB2 GLU 80 HB2 GLU 80 -4.296 4.555 -7.694 516 HB3 GLU 80 HB1 GLU 80 -5.255 5.543 -8.797 517 HG2 GLU 80 HG2 GLU 80 -4.498 7.547 -7.486 518 HG3 GLU 80 HG1 GLU 80 -3.385 6.476 -6.637 519 H LEU 81 HN LEU 81 -5.692 3.066 -6.071 520 HA LEU 81 HA LEU 81 -7.350 1.626 -7.829 521 HB2 LEU 81 HB2 LEU 81 -5.507 0.616 -6.612 522 HB3 LEU 81 HB1 LEU 81 -6.313 0.941 -5.108 523 HG LEU 81 HG LEU 81 -8.158 -0.581 -5.839 524 HD11 LEU 81 HD11 LEU 81 -6.188 -1.303 -7.998 525 HD12 LEU 81 HD12 LEU 81 -7.753 -0.524 -8.231 526 HD13 LEU 81 HD13 LEU 81 -7.673 -2.177 -7.622 527 HD21 LEU 81 HD21 LEU 81 -6.931 -2.622 -5.321 528 HD22 LEU 81 HD22 LEU 81 -6.448 -1.296 -4.264 529 HD23 LEU 81 HD23 LEU 81 -5.406 -1.782 -5.602 530 H LEU 82 HN LEU 82 -7.710 2.494 -4.460 531 HA LEU 82 HA LEU 82 -10.330 1.541 -4.117 532 HB2 LEU 82 HB2 LEU 82 -8.979 3.752 -2.578 533 HB3 LEU 82 HB1 LEU 82 -10.326 2.770 -2.044 534 HG LEU 82 HG LEU 82 -7.481 1.891 -2.462 535 HD11 LEU 82 HD11 LEU 82 -7.485 1.465 -0.113 536 HD12 LEU 82 HD12 LEU 82 -9.203 1.837 0.004 537 HD13 LEU 82 HD13 LEU 82 -8.048 3.112 -0.379 538 HD21 LEU 82 HD21 LEU 82 -8.222 -0.347 -1.777 539 HD22 LEU 82 HD22 LEU 82 -8.962 0.157 -3.298 540 HD23 LEU 82 HD23 LEU 82 -9.897 0.204 -1.807 541 H ASN 83 HN ASN 83 -9.155 4.374 -5.636 542 HA ASN 83 HA ASN 83 -11.704 5.773 -5.412 543 HB2 ASN 83 HB2 ASN 83 -9.599 7.071 -5.319 544 HB3 ASN 83 HB1 ASN 83 -9.193 6.513 -6.936 545 HD21 ASN 83 HD21 ASN 83 -11.510 8.401 -5.082 546 HD22 ASN 83 HD22 ASN 83 -12.010 9.412 -6.396 547 H LYS 84 HN LYS 84 -10.505 3.296 -7.097 548 HA LYS 84 HA LYS 84 -12.113 3.788 -9.502 549 HB2 LYS 84 HB2 LYS 84 -9.892 1.821 -8.965 550 HB3 LYS 84 HB1 LYS 84 -10.853 1.848 -10.436 551 HG2 LYS 84 HG2 LYS 84 -10.024 3.982 -11.046 552 HG3 LYS 84 HG1 LYS 84 -9.257 4.193 -9.475 553 HD2 LYS 84 HD2 LYS 84 -7.581 3.615 -11.118 554 HD3 LYS 84 HD1 LYS 84 -7.774 2.274 -9.989 555 HE2 LYS 84 HE2 LYS 84 -7.620 1.461 -12.278 556 HE3 LYS 84 HE1 LYS 84 -9.210 1.124 -11.604 557 HZ1 LYS 84 HZ1 LYS 84 -10.064 3.066 -12.785 558 HZ2 LYS 84 HZ2 LYS 84 -9.390 1.947 -13.854 559 HZ3 LYS 84 HZ3 LYS 84 -8.538 3.349 -13.453 560 H THR 85 HN THR 85 -12.065 0.886 -9.926 561 HA THR 85 HA THR 85 -13.637 -0.759 -9.762 562 HB THR 85 HB THR 85 -11.962 -1.719 -8.435 563 HG1 THR 85 HG1 THR 85 -14.469 -1.826 -7.106 564 HG21 THR 85 HG21 THR 85 -12.887 -0.018 -6.121 565 HG22 THR 85 HG22 THR 85 -11.379 0.165 -7.014 566 HG23 THR 85 HG23 THR 85 -11.654 -1.274 -6.033 Start of MODEL 9 1 H1 ASN 15 HT1 ASN 15 -4.010 5.530 5.269 2 H2 ASN 15 HT2 ASN 15 -4.698 4.906 3.856 3 H3 ASN 15 HT3 ASN 15 -3.416 4.091 4.606 4 HA ASN 15 HA ASN 15 -5.484 2.977 5.048 5 HB2 ASN 15 HB2 ASN 15 -5.320 2.865 7.478 6 HB3 ASN 15 HB1 ASN 15 -3.712 2.955 6.773 7 HD21 ASN 15 HD21 ASN 15 -4.600 3.632 9.463 8 HD22 ASN 15 HD22 ASN 15 -4.186 5.294 9.708 9 H ASP 16 HN ASP 16 -5.728 6.388 5.218 10 HA ASP 16 HA ASP 16 -7.894 6.616 7.035 11 HB2 ASP 16 HB2 ASP 16 -6.303 8.460 6.360 12 HB3 ASP 16 HB1 ASP 16 -7.187 8.568 4.843 13 H ILE 17 HN ILE 17 -7.716 6.440 3.505 14 HA ILE 17 HA ILE 17 -10.488 6.816 3.090 15 HB ILE 17 HB ILE 17 -8.356 5.645 1.310 16 HG12 ILE 17 HG12 ILE 17 -8.923 7.781 0.023 17 HG13 ILE 17 HG11 ILE 17 -9.826 8.267 1.449 18 HG21 ILE 17 HG21 ILE 17 -11.240 6.186 0.605 19 HG22 ILE 17 HG22 ILE 17 -10.486 4.597 0.727 20 HG23 ILE 17 HG23 ILE 17 -9.970 5.725 -0.527 21 HD11 ILE 17 HD11 ILE 17 -7.648 9.282 1.450 22 HD12 ILE 17 HD12 ILE 17 -6.886 7.696 1.331 23 HD13 ILE 17 HD13 ILE 17 -7.795 8.132 2.779 24 H CYS 18 HN CYS 18 -8.466 3.943 3.350 25 HA CYS 18 HA CYS 18 -10.436 2.002 2.846 26 HB2 CYS 18 HB2 CYS 18 -8.061 1.434 2.934 27 HB3 CYS 18 HB1 CYS 18 -8.007 1.836 4.646 28 HG CYS 18 HG CYS 18 -9.896 -0.260 5.273 29 H LEU 19 HN LEU 19 -9.491 3.685 5.746 30 HA LEU 19 HA LEU 19 -11.076 2.320 7.627 31 HB2 LEU 19 HB2 LEU 19 -9.197 3.905 8.045 32 HB3 LEU 19 HB1 LEU 19 -10.261 5.214 7.609 33 HG LEU 19 HG LEU 19 -11.749 4.554 9.511 34 HD11 LEU 19 HD11 LEU 19 -11.051 2.239 9.750 35 HD12 LEU 19 HD12 LEU 19 -10.792 3.118 11.257 36 HD13 LEU 19 HD13 LEU 19 -9.427 2.758 10.202 37 HD21 LEU 19 HD21 LEU 19 -8.904 5.264 10.217 38 HD22 LEU 19 HD22 LEU 19 -10.325 5.543 11.223 39 HD23 LEU 19 HD23 LEU 19 -10.151 6.394 9.689 40 H ARG 20 HN ARG 20 -11.609 5.150 5.618 41 HA ARG 20 HA ARG 20 -14.101 5.935 6.687 42 HB2 ARG 20 HB2 ARG 20 -12.406 7.250 5.278 43 HB3 ARG 20 HB1 ARG 20 -13.145 6.477 3.888 44 HG2 ARG 20 HG2 ARG 20 -15.299 7.464 4.479 45 HG3 ARG 20 HG1 ARG 20 -14.551 8.249 5.873 46 HD2 ARG 20 HD2 ARG 20 -13.948 8.716 2.958 47 HD3 ARG 20 HD1 ARG 20 -14.670 9.850 4.098 48 HE ARG 20 HE ARG 20 -12.151 9.078 5.071 49 HH11 ARG 20 HH11 ARG 20 -13.565 10.970 2.493 50 HH12 ARG 20 HH12 ARG 20 -12.168 11.977 2.286 51 HH21 ARG 20 HH21 ARG 20 -10.287 10.377 4.793 52 HH22 ARG 20 HH22 ARG 20 -10.308 11.645 3.598 53 H LYS 21 HN LYS 21 -13.188 3.760 4.090 54 HA LYS 21 HA LYS 21 -15.801 3.454 2.990 55 HB2 LYS 21 HB2 LYS 21 -13.233 1.926 2.722 56 HB3 LYS 21 HB1 LYS 21 -14.713 1.400 1.924 57 HG2 LYS 21 HG2 LYS 21 -13.411 4.089 1.563 58 HG3 LYS 21 HG1 LYS 21 -13.262 2.723 0.455 59 HD2 LYS 21 HD2 LYS 21 -15.943 3.797 1.234 60 HD3 LYS 21 HD1 LYS 21 -15.019 4.538 -0.057 61 HE2 LYS 21 HE2 LYS 21 -14.886 2.276 -1.128 62 HE3 LYS 21 HE1 LYS 21 -16.002 1.699 0.104 63 HZ1 LYS 21 HZ1 LYS 21 -17.638 3.284 -0.675 64 HZ2 LYS 21 HZ2 LYS 21 -17.143 2.283 -1.944 65 HZ3 LYS 21 HZ3 LYS 21 -16.564 3.868 -1.842 66 H ASN 22 HN ASN 22 -14.872 2.740 5.913 67 HA ASN 22 HA ASN 22 -15.537 1.389 7.591 68 HB2 ASN 22 HB2 ASN 22 -17.789 1.982 6.658 69 HB3 ASN 22 HB1 ASN 22 -17.736 0.502 5.710 70 HD21 ASN 22 HD21 ASN 22 -19.588 -0.267 6.726 71 HD22 ASN 22 HD22 ASN 22 -19.558 -0.879 8.343 72 H TRP 23 HN TRP 23 -13.677 0.452 5.541 73 HA TRP 23 HA TRP 23 -14.022 -2.443 5.605 74 HB2 TRP 23 HB2 TRP 23 -11.809 -0.696 4.493 75 HB3 TRP 23 HB1 TRP 23 -11.837 -2.447 4.385 76 HD1 TRP 23 HD1 TRP 23 -15.079 -2.465 3.541 77 HE1 TRP 23 HE1 TRP 23 -15.596 -1.909 1.068 78 HE3 TRP 23 HE3 TRP 23 -10.748 -0.066 2.331 79 HZ2 TRP 23 HZ2 TRP 23 -14.295 -0.654 -1.113 80 HZ3 TRP 23 HZ3 TRP 23 -10.455 0.778 0.046 81 HH2 TRP 23 HH2 TRP 23 -12.192 0.495 -1.639 82 HA PRO 24 HA PRO 24 -11.321 -2.989 9.131 83 HB2 PRO 24 HB2 PRO 24 -9.781 -5.094 8.347 84 HB3 PRO 24 HB1 PRO 24 -11.433 -5.257 8.942 85 HG2 PRO 24 HG2 PRO 24 -10.419 -5.262 6.139 86 HG3 PRO 24 HG1 PRO 24 -11.692 -6.251 6.873 87 HD2 PRO 24 HD2 PRO 24 -12.216 -4.102 5.305 88 HD3 PRO 24 HD1 PRO 24 -13.283 -4.599 6.629 89 H MET 25 HN MET 25 -8.713 -3.629 9.361 90 HA MET 25 HA MET 25 -7.458 -1.318 8.188 91 HB2 MET 25 HB2 MET 25 -6.353 -3.426 10.046 92 HB3 MET 25 HB1 MET 25 -5.537 -1.931 9.604 93 HG2 MET 25 HG2 MET 25 -8.252 -1.772 10.800 94 HG3 MET 25 HG1 MET 25 -6.895 -2.165 11.842 95 HE1 MET 25 HE1 MET 25 -8.506 0.386 9.433 96 HE2 MET 25 HE2 MET 25 -6.902 0.461 8.698 97 HE3 MET 25 HE3 MET 25 -7.517 1.836 9.610 98 HA PRO 26 HA PRO 26 -5.857 -3.541 4.709 99 HB2 PRO 26 HB2 PRO 26 -3.901 -1.412 4.403 100 HB3 PRO 26 HB1 PRO 26 -5.246 -1.847 3.354 101 HG2 PRO 26 HG2 PRO 26 -5.196 0.429 4.835 102 HG3 PRO 26 HG1 PRO 26 -6.691 -0.409 4.388 103 HD2 PRO 26 HD2 PRO 26 -5.230 -0.393 6.986 104 HD3 PRO 26 HD1 PRO 26 -6.975 -0.430 6.665 105 H SER 27 HN SER 27 -3.799 -4.317 3.884 106 HA SER 27 HA SER 27 -2.021 -5.104 6.046 107 HB2 SER 27 HB2 SER 27 -2.863 -6.754 4.384 108 HB3 SER 27 HB1 SER 27 -1.979 -5.896 3.134 109 HG SER 27 HG SER 27 -1.005 -7.459 5.252 110 H TYR 28 HN TYR 28 0.126 -4.540 6.209 111 HA TYR 28 HA TYR 28 1.304 -2.822 4.209 112 HB2 TYR 28 HB2 TYR 28 0.768 -1.891 7.029 113 HB3 TYR 28 HB1 TYR 28 1.975 -1.147 5.994 114 HD1 TYR 28 HD1 TYR 28 1.273 0.154 4.011 115 HD2 TYR 28 HD2 TYR 28 -1.578 -1.458 6.727 116 HE1 TYR 28 HE1 TYR 28 -0.424 1.684 3.119 117 HE2 TYR 28 HE2 TYR 28 -3.288 0.069 5.839 118 HH TYR 28 HH TYR 28 -2.869 1.828 2.961 119 H ARG 29 HN ARG 29 3.193 -3.950 3.900 120 HA ARG 29 HA ARG 29 5.030 -4.216 6.082 121 HB2 ARG 29 HB2 ARG 29 3.723 -6.253 6.432 122 HB3 ARG 29 HB1 ARG 29 3.943 -6.706 4.746 123 HG2 ARG 29 HG2 ARG 29 6.339 -6.927 5.104 124 HG3 ARG 29 HG1 ARG 29 6.142 -6.437 6.786 125 HD2 ARG 29 HD2 ARG 29 4.780 -8.404 7.217 126 HD3 ARG 29 HD1 ARG 29 4.903 -8.878 5.522 127 HE ARG 29 HE ARG 29 7.495 -8.612 6.481 128 HH11 ARG 29 HH11 ARG 29 4.703 -10.622 7.128 129 HH12 ARG 29 HH12 ARG 29 5.649 -11.990 7.621 130 HH21 ARG 29 HH21 ARG 29 8.735 -10.405 7.125 131 HH22 ARG 29 HH22 ARG 29 7.944 -11.866 7.620 132 H CYS 30 HN CYS 30 7.045 -3.986 5.327 133 HA CYS 30 HA CYS 30 7.503 -3.346 2.634 134 HB2 CYS 30 HB2 CYS 30 9.516 -4.069 4.774 135 HB3 CYS 30 HB1 CYS 30 9.869 -3.225 3.268 136 HG CYS 30 HG CYS 30 9.436 -1.812 6.012 137 H VAL 31 HN VAL 31 7.966 -4.536 0.928 138 HA VAL 31 HA VAL 31 8.070 -7.420 1.242 139 HB VAL 31 HB VAL 31 7.927 -5.748 -1.274 140 HG11 VAL 31 HG11 VAL 31 7.228 -7.816 -2.374 141 HG12 VAL 31 HG12 VAL 31 7.457 -8.698 -0.865 142 HG13 VAL 31 HG13 VAL 31 8.842 -7.973 -1.679 143 HG21 VAL 31 HG21 VAL 31 5.742 -7.168 0.242 144 HG22 VAL 31 HG22 VAL 31 5.553 -6.338 -1.302 145 HG23 VAL 31 HG23 VAL 31 5.974 -5.423 0.146 146 H LYS 32 HN LYS 32 10.110 -4.791 0.061 147 HA LYS 32 HA LYS 32 12.302 -6.700 -0.242 148 HB2 LYS 32 HB2 LYS 32 11.024 -5.101 -2.354 149 HB3 LYS 32 HB1 LYS 32 12.778 -5.043 -2.343 150 HG2 LYS 32 HG2 LYS 32 11.140 -7.569 -2.408 151 HG3 LYS 32 HG1 LYS 32 11.851 -6.787 -3.822 152 HD2 LYS 32 HD2 LYS 32 14.082 -7.056 -2.828 153 HD3 LYS 32 HD1 LYS 32 13.358 -7.869 -1.441 154 HE2 LYS 32 HE2 LYS 32 12.526 -9.634 -2.904 155 HE3 LYS 32 HE1 LYS 32 13.230 -8.817 -4.299 156 HZ1 LYS 32 HZ1 LYS 32 15.418 -9.103 -3.300 157 HZ2 LYS 32 HZ2 LYS 32 14.656 -10.594 -3.531 158 HZ3 LYS 32 HZ3 LYS 32 14.730 -9.911 -1.986 159 H GLU 33 HN GLU 33 14.363 -5.440 -0.801 160 HA GLU 33 HA GLU 33 14.625 -2.908 0.578 161 HB2 GLU 33 HB2 GLU 33 14.710 -4.637 2.386 162 HB3 GLU 33 HB1 GLU 33 16.101 -5.350 1.586 163 HG2 GLU 33 HG2 GLU 33 17.321 -3.232 1.894 164 HG3 GLU 33 HG1 GLU 33 15.936 -2.594 2.778 165 H GLY 34 HN GLY 34 16.894 -2.045 0.337 166 HA2 GLY 34 HA2 GLY 34 17.624 -2.344 -2.371 167 HA3 GLY 34 HA1 GLY 34 18.503 -1.423 -1.164 168 H GLY 35 HN GLY 35 19.943 -2.679 0.279 169 HA2 GLY 35 HA2 GLY 35 21.082 -5.098 -0.022 170 HA3 GLY 35 HA1 GLY 35 21.587 -4.277 -1.483 171 HA PRO 36 HA PRO 36 25.014 -2.958 1.147 172 HB2 PRO 36 HB2 PRO 36 25.947 -1.947 -1.464 173 HB3 PRO 36 HB1 PRO 36 26.744 -3.049 -0.340 174 HG2 PRO 36 HG2 PRO 36 25.732 -3.920 -2.661 175 HG3 PRO 36 HG1 PRO 36 25.670 -4.912 -1.191 176 HD2 PRO 36 HD2 PRO 36 23.510 -3.264 -2.454 177 HD3 PRO 36 HD1 PRO 36 23.406 -4.886 -1.732 178 H ALA 37 HN ALA 37 26.350 -0.669 0.700 179 HA ALA 37 HA ALA 37 24.612 1.234 1.752 180 HB1 ALA 37 HB1 ALA 37 26.420 2.811 1.578 181 HB2 ALA 37 HB2 ALA 37 27.241 1.792 0.398 182 HB3 ALA 37 HB3 ALA 37 27.056 1.240 2.062 183 H HIS 38 HN HIS 38 25.639 0.780 -1.608 184 HA HIS 38 HA HIS 38 24.486 3.234 -2.503 185 HB2 HIS 38 HB2 HIS 38 24.793 2.352 -4.783 186 HB3 HIS 38 HB1 HIS 38 26.263 2.292 -3.821 187 HD1 HIS 38 HD1 HIS 38 27.353 0.026 -3.528 188 HD2 HIS 38 HD2 HIS 38 23.602 -0.194 -5.293 189 HE1 HIS 38 HE1 HIS 38 27.111 -2.352 -4.307 190 HE2 HIS 38 HE2 HIS 38 24.907 -2.420 -5.519 191 H ALA 39 HN ALA 39 23.070 0.326 -1.610 192 HA ALA 39 HA ALA 39 20.655 1.011 -3.143 193 HB1 ALA 39 HB1 ALA 39 20.151 -1.370 -3.369 194 HB2 ALA 39 HB2 ALA 39 21.662 -1.771 -2.554 195 HB3 ALA 39 HB3 ALA 39 21.694 -0.973 -4.126 196 H LYS 40 HN LYS 40 19.446 1.943 -1.536 197 HA LYS 40 HA LYS 40 18.965 0.280 0.810 198 HB2 LYS 40 HB2 LYS 40 20.469 2.423 1.154 199 HB3 LYS 40 HB1 LYS 40 18.907 3.224 1.139 200 HG2 LYS 40 HG2 LYS 40 19.485 2.766 3.402 201 HG3 LYS 40 HG1 LYS 40 18.156 1.708 2.940 202 HD2 LYS 40 HD2 LYS 40 19.786 -0.102 2.532 203 HD3 LYS 40 HD1 LYS 40 21.076 0.963 3.091 204 HE2 LYS 40 HE2 LYS 40 19.970 1.134 5.273 205 HE3 LYS 40 HE1 LYS 40 18.705 0.044 4.711 206 HZ1 LYS 40 HZ1 LYS 40 21.583 -0.633 4.948 207 HZ2 LYS 40 HZ2 LYS 40 20.368 -1.680 4.419 208 HZ3 LYS 40 HZ3 LYS 40 20.365 -1.124 6.015 209 H ARG 41 HN ARG 41 17.642 0.813 -1.777 210 HA ARG 41 HA ARG 41 15.333 2.406 -1.028 211 HB2 ARG 41 HB2 ARG 41 14.460 1.969 -3.284 212 HB3 ARG 41 HB1 ARG 41 16.056 2.685 -3.318 213 HG2 ARG 41 HG2 ARG 41 15.797 -0.277 -3.488 214 HG3 ARG 41 HG1 ARG 41 15.419 0.705 -4.902 215 HD2 ARG 41 HD2 ARG 41 17.654 1.733 -4.750 216 HD3 ARG 41 HD1 ARG 41 18.025 0.682 -3.383 217 HE ARG 41 HE ARG 41 17.338 -1.096 -5.257 218 HH11 ARG 41 HH11 ARG 41 19.514 1.652 -5.353 219 HH12 ARG 41 HH12 ARG 41 20.537 0.962 -6.572 220 HH21 ARG 41 HH21 ARG 41 18.672 -2.002 -6.864 221 HH22 ARG 41 HH22 ARG 41 20.056 -1.120 -7.432 222 H PHE 42 HN PHE 42 13.501 1.681 -0.387 223 HA PHE 42 HA PHE 42 13.204 -1.232 -0.079 224 HB2 PHE 42 HB2 PHE 42 11.661 0.821 1.496 225 HB3 PHE 42 HB1 PHE 42 11.973 -0.860 1.903 226 HD1 PHE 42 HD1 PHE 42 14.910 -1.011 1.520 227 HD2 PHE 42 HD2 PHE 42 12.489 2.022 3.264 228 HE1 PHE 42 HE1 PHE 42 16.823 -0.278 2.895 229 HE2 PHE 42 HE2 PHE 42 14.387 2.741 4.653 230 HZ PHE 42 HZ PHE 42 16.552 1.587 4.473 231 H THR 43 HN THR 43 11.338 -2.233 -0.635 232 HA THR 43 HA THR 43 9.439 -0.643 -2.217 233 HB THR 43 HB THR 43 10.457 -3.417 -2.894 234 HG1 THR 43 HG1 THR 43 11.286 -2.032 -4.783 235 HG21 THR 43 HG21 THR 43 8.176 -2.987 -3.660 236 HG22 THR 43 HG22 THR 43 9.294 -3.066 -5.022 237 HG23 THR 43 HG23 THR 43 8.714 -1.504 -4.446 238 H PHE 44 HN PHE 44 7.337 -0.960 -1.537 239 HA PHE 44 HA PHE 44 6.853 -3.277 0.183 240 HB2 PHE 44 HB2 PHE 44 6.855 -1.720 1.852 241 HB3 PHE 44 HB1 PHE 44 6.637 -0.379 0.735 242 HD1 PHE 44 HD2 PHE 44 4.775 -3.212 2.248 243 HD2 PHE 44 HD1 PHE 44 4.641 0.746 0.720 244 HE1 PHE 44 HE2 PHE 44 2.430 -3.034 2.914 245 HE2 PHE 44 HE1 PHE 44 2.288 0.931 1.410 246 HZ PHE 44 HZ PHE 44 1.187 -0.966 2.520 247 H GLY 45 HN GLY 45 4.622 -3.999 0.186 248 HA2 GLY 45 HA2 GLY 45 3.039 -2.961 -2.076 249 HA3 GLY 45 HA1 GLY 45 3.224 -4.686 -1.786 250 H VAL 46 HN VAL 46 1.004 -2.408 -1.545 251 HA VAL 46 HA VAL 46 0.047 -3.182 1.132 252 HB VAL 46 HB VAL 46 0.405 -0.768 0.876 253 HG11 VAL 46 HG11 VAL 46 -0.945 0.562 -0.665 254 HG12 VAL 46 HG12 VAL 46 -1.588 -0.924 -1.369 255 HG13 VAL 46 HG13 VAL 46 0.128 -0.552 -1.515 256 HG21 VAL 46 HG21 VAL 46 -1.406 -1.508 2.330 257 HG22 VAL 46 HG22 VAL 46 -2.523 -1.479 0.966 258 HG23 VAL 46 HG23 VAL 46 -1.808 0.023 1.552 259 H ARG 47 HN ARG 47 -2.189 -3.811 1.365 260 HA ARG 47 HA ARG 47 -3.770 -3.987 -1.040 261 HB2 ARG 47 HB2 ARG 47 -4.369 -6.386 -0.499 262 HB3 ARG 47 HB1 ARG 47 -2.759 -6.143 -1.161 263 HG2 ARG 47 HG2 ARG 47 -1.881 -6.251 1.179 264 HG3 ARG 47 HG1 ARG 47 -3.507 -6.690 1.698 265 HD2 ARG 47 HD2 ARG 47 -3.454 -8.651 0.259 266 HD3 ARG 47 HD1 ARG 47 -1.851 -8.201 -0.319 267 HE ARG 47 HE ARG 47 -2.431 -8.955 2.479 268 HH11 ARG 47 HH11 ARG 47 -0.366 -9.018 -0.356 269 HH12 ARG 47 HH12 ARG 47 0.890 -9.915 0.432 270 HH21 ARG 47 HH21 ARG 47 -0.777 -10.159 3.498 271 HH22 ARG 47 HH22 ARG 47 0.652 -10.570 2.605 272 H VAL 48 HN VAL 48 -5.983 -4.207 -0.594 273 HA VAL 48 HA VAL 48 -6.720 -3.622 2.213 274 HB VAL 48 HB VAL 48 -7.696 -2.290 -0.315 275 HG11 VAL 48 HG11 VAL 48 -8.739 -1.942 2.489 276 HG12 VAL 48 HG12 VAL 48 -9.603 -2.697 1.149 277 HG13 VAL 48 HG13 VAL 48 -9.203 -0.980 1.086 278 HG21 VAL 48 HG21 VAL 48 -6.484 -1.084 2.156 279 HG22 VAL 48 HG22 VAL 48 -6.810 -0.286 0.617 280 HG23 VAL 48 HG23 VAL 48 -5.557 -1.524 0.724 281 H ASN 49 HN ASN 49 -8.919 -4.203 2.815 282 HA ASN 49 HA ASN 49 -9.880 -6.511 1.300 283 HB2 ASN 49 HB2 ASN 49 -9.474 -6.803 3.728 284 HB3 ASN 49 HB1 ASN 49 -10.684 -5.568 4.058 285 HD21 ASN 49 HD21 ASN 49 -11.901 -7.051 5.245 286 HD22 ASN 49 HD22 ASN 49 -12.851 -8.272 4.481 287 H THR 50 HN THR 50 -10.718 -5.337 -0.313 288 HA THR 50 HA THR 50 -12.803 -3.381 0.028 289 HB THR 50 HB THR 50 -13.360 -3.770 -2.396 290 HG1 THR 50 HG1 THR 50 -11.375 -5.744 -2.025 291 HG21 THR 50 HG21 THR 50 -11.287 -2.740 -3.224 292 HG22 THR 50 HG22 THR 50 -10.495 -3.142 -1.700 293 HG23 THR 50 HG23 THR 50 -11.844 -2.007 -1.721 294 H SER 51 HN SER 51 -14.701 -3.776 0.831 295 HA SER 51 HA SER 51 -15.620 -6.233 1.617 296 HB2 SER 51 HB2 SER 51 -16.412 -4.082 2.511 297 HB3 SER 51 HB1 SER 51 -17.307 -3.797 1.021 298 HG SER 51 HG SER 51 -18.179 -6.072 1.683 299 H ASP 52 HN ASP 52 -15.974 -4.823 -1.536 300 HA ASP 52 HA ASP 52 -18.168 -6.453 -2.336 301 HB2 ASP 52 HB2 ASP 52 -16.285 -4.768 -3.887 302 HB3 ASP 52 HB1 ASP 52 -17.598 -5.670 -4.615 303 H ARG 53 HN ARG 53 -14.701 -6.913 -2.368 304 HA ARG 53 HA ARG 53 -15.130 -9.440 -3.792 305 HB2 ARG 53 HB2 ARG 53 -13.062 -7.382 -4.580 306 HB3 ARG 53 HB1 ARG 53 -13.140 -9.020 -5.214 307 HG2 ARG 53 HG2 ARG 53 -15.318 -8.569 -6.181 308 HG3 ARG 53 HG1 ARG 53 -15.295 -6.942 -5.503 309 HD2 ARG 53 HD2 ARG 53 -13.267 -6.463 -6.827 310 HD3 ARG 53 HD1 ARG 53 -13.402 -8.061 -7.560 311 HE ARG 53 HE ARG 53 -15.838 -6.800 -7.958 312 HH11 ARG 53 HH11 ARG 53 -12.492 -6.328 -8.873 313 HH12 ARG 53 HH12 ARG 53 -12.875 -5.500 -10.348 314 HH21 ARG 53 HH21 ARG 53 -16.351 -5.706 -9.906 315 HH22 ARG 53 HH22 ARG 53 -15.069 -5.158 -10.944 316 H GLY 54 HN GLY 54 -13.021 -7.451 -1.801 317 HA2 GLY 54 HA2 GLY 54 -12.157 -8.635 0.191 318 HA3 GLY 54 HA1 GLY 54 -11.695 -9.918 -0.905 319 H TRP 55 HN TRP 55 -9.576 -9.854 -0.294 320 HA TRP 55 HA TRP 55 -7.869 -7.720 -0.143 321 HB2 TRP 55 HB2 TRP 55 -7.501 -10.571 -0.893 322 HB3 TRP 55 HB1 TRP 55 -6.168 -9.467 -1.197 323 HD1 TRP 55 HD1 TRP 55 -6.795 -11.881 1.184 324 HE1 TRP 55 HE1 TRP 55 -5.954 -11.282 3.541 325 HE3 TRP 55 HE3 TRP 55 -6.333 -6.826 0.630 326 HZ2 TRP 55 HZ2 TRP 55 -5.192 -8.964 4.960 327 HZ3 TRP 55 HZ3 TRP 55 -5.548 -5.497 2.539 328 HH2 TRP 55 HH2 TRP 55 -5.000 -6.540 4.664 329 H THR 56 HN THR 56 -7.376 -6.170 -1.457 330 HA THR 56 HA THR 56 -7.884 -6.230 -4.261 331 HB THR 56 HB THR 56 -6.783 -4.022 -4.295 332 HG1 THR 56 HG1 THR 56 -5.239 -3.897 -2.819 333 HG21 THR 56 HG21 THR 56 -9.136 -4.166 -3.669 334 HG22 THR 56 HG22 THR 56 -8.329 -2.868 -2.789 335 HG23 THR 56 HG23 THR 56 -8.680 -4.396 -1.980 336 H ASP 57 HN ASP 57 -6.172 -5.690 -5.876 337 HA ASP 57 HA ASP 57 -4.007 -7.483 -5.809 338 HB2 ASP 57 HB2 ASP 57 -4.379 -5.003 -7.495 339 HB3 ASP 57 HB1 ASP 57 -3.167 -6.242 -7.782 340 H GLU 58 HN GLU 58 -2.050 -7.322 -4.982 341 HA GLU 58 HA GLU 58 -1.506 -5.370 -3.062 342 HB2 GLU 58 HB2 GLU 58 -0.598 -7.596 -2.927 343 HB3 GLU 58 HB1 GLU 58 0.349 -7.344 -4.382 344 HG2 GLU 58 HG2 GLU 58 1.623 -5.603 -3.216 345 HG3 GLU 58 HG1 GLU 58 0.681 -5.912 -1.758 346 H CYS 59 HN CYS 59 -0.964 -3.407 -3.334 347 HA CYS 59 HA CYS 59 0.062 -2.499 -5.907 348 HB2 CYS 59 HB2 CYS 59 -0.906 -0.899 -3.528 349 HB3 CYS 59 HB1 CYS 59 -0.519 -0.254 -5.120 350 HG CYS 59 HG CYS 59 -2.835 -2.694 -5.101 351 H ILE 60 HN ILE 60 2.190 -2.786 -6.029 352 HA ILE 60 HA ILE 60 3.972 -2.399 -3.834 353 HB ILE 60 HB ILE 60 4.273 -3.004 -6.754 354 HG12 ILE 60 HG12 ILE 60 5.474 -4.947 -5.933 355 HG13 ILE 60 HG11 ILE 60 5.404 -4.337 -4.286 356 HG21 ILE 60 HG21 ILE 60 5.975 -1.325 -6.375 357 HG22 ILE 60 HG22 ILE 60 6.710 -2.915 -6.580 358 HG23 ILE 60 HG23 ILE 60 6.561 -2.212 -4.969 359 HD11 ILE 60 HD11 ILE 60 2.975 -4.568 -4.326 360 HD12 ILE 60 HD12 ILE 60 3.792 -6.102 -4.636 361 HD13 ILE 60 HD13 ILE 60 3.069 -5.199 -5.968 362 H GLY 61 HN GLY 61 4.693 -0.556 -3.106 363 HA2 GLY 61 HA2 GLY 61 4.197 1.917 -4.475 364 HA3 GLY 61 HA1 GLY 61 4.999 1.725 -2.923 365 H GLU 62 HN GLU 62 6.253 3.516 -3.995 366 HA GLU 62 HA GLU 62 8.090 2.675 -6.069 367 HB2 GLU 62 HB2 GLU 62 7.767 5.304 -4.608 368 HB3 GLU 62 HB1 GLU 62 8.860 5.030 -5.960 369 HG2 GLU 62 HG2 GLU 62 6.961 4.507 -7.396 370 HG3 GLU 62 HG1 GLU 62 5.864 4.765 -6.043 371 HA PRO 63 HA PRO 63 11.345 1.360 -3.350 372 HB2 PRO 63 HB2 PRO 63 13.433 2.194 -5.005 373 HB3 PRO 63 HB1 PRO 63 12.632 0.624 -5.073 374 HG2 PRO 63 HG2 PRO 63 12.191 3.054 -6.742 375 HG3 PRO 63 HG1 PRO 63 12.139 1.344 -7.210 376 HD2 PRO 63 HD2 PRO 63 9.901 2.773 -6.868 377 HD3 PRO 63 HD1 PRO 63 9.987 1.063 -6.398 378 H MET 64 HN MET 64 11.482 2.616 -1.589 379 HA MET 64 HA MET 64 12.338 5.415 -1.894 380 HB2 MET 64 HB2 MET 64 10.443 4.072 0.018 381 HB3 MET 64 HB1 MET 64 11.157 5.636 0.378 382 HG2 MET 64 HG2 MET 64 9.465 4.991 -2.021 383 HG3 MET 64 HG1 MET 64 8.927 5.843 -0.575 384 HE1 MET 64 HE1 MET 64 8.314 7.165 -3.200 385 HE2 MET 64 HE2 MET 64 8.939 8.804 -3.019 386 HE3 MET 64 HE3 MET 64 8.107 8.023 -1.671 387 HA PRO 65 HA PRO 65 15.749 4.390 0.745 388 HB2 PRO 65 HB2 PRO 65 16.546 6.846 1.446 389 HB3 PRO 65 HB1 PRO 65 16.688 6.271 -0.219 390 HG2 PRO 65 HG2 PRO 65 14.597 8.036 1.000 391 HG3 PRO 65 HG1 PRO 65 15.449 8.221 -0.544 392 HD2 PRO 65 HD2 PRO 65 12.935 7.166 -0.327 393 HD3 PRO 65 HD1 PRO 65 14.071 6.733 -1.621 394 H SER 66 HN SER 66 12.809 5.090 1.963 395 HA SER 66 HA SER 66 13.690 4.648 4.672 396 HB2 SER 66 HB2 SER 66 13.734 7.095 4.563 397 HB3 SER 66 HB1 SER 66 12.095 7.116 3.915 398 HG SER 66 HG SER 66 11.822 7.453 6.044 399 H VAL 67 HN VAL 67 12.124 3.601 5.873 400 HA VAL 67 HA VAL 67 10.249 2.147 4.294 401 HB VAL 67 HB VAL 67 9.627 0.997 6.378 402 HG11 VAL 67 HG11 VAL 67 11.839 0.029 6.860 403 HG12 VAL 67 HG12 VAL 67 12.589 1.340 5.949 404 HG13 VAL 67 HG13 VAL 67 11.528 0.190 5.133 405 HG21 VAL 67 HG21 VAL 67 10.769 1.518 8.472 406 HG22 VAL 67 HG22 VAL 67 9.796 2.883 7.923 407 HG23 VAL 67 HG23 VAL 67 11.547 2.905 7.711 408 H LYS 68 HN LYS 68 9.980 5.000 6.227 409 HA LYS 68 HA LYS 68 7.213 4.774 6.808 410 HB2 LYS 68 HB2 LYS 68 8.350 6.203 8.249 411 HB3 LYS 68 HB1 LYS 68 9.259 6.958 6.946 412 HG2 LYS 68 HG2 LYS 68 7.292 8.105 6.199 413 HG3 LYS 68 HG1 LYS 68 6.315 7.321 7.438 414 HD2 LYS 68 HD2 LYS 68 7.634 8.418 9.178 415 HD3 LYS 68 HD1 LYS 68 8.639 9.181 7.943 416 HE2 LYS 68 HE2 LYS 68 6.955 10.733 8.786 417 HE3 LYS 68 HE1 LYS 68 6.688 10.370 7.083 418 HZ1 LYS 68 HZ1 LYS 68 4.987 8.758 7.767 419 HZ2 LYS 68 HZ2 LYS 68 4.613 10.329 8.258 420 HZ3 LYS 68 HZ3 LYS 68 5.207 9.215 9.381 421 H LYS 69 HN LYS 69 9.085 6.401 4.281 422 HA LYS 69 HA LYS 69 6.682 7.475 3.089 423 HB2 LYS 69 HB2 LYS 69 8.154 8.451 1.385 424 HB3 LYS 69 HB1 LYS 69 8.635 8.888 3.018 425 HG2 LYS 69 HG2 LYS 69 10.340 7.063 2.894 426 HG3 LYS 69 HG1 LYS 69 9.934 6.904 1.186 427 HD2 LYS 69 HD2 LYS 69 10.987 9.381 2.552 428 HD3 LYS 69 HD1 LYS 69 11.885 8.335 1.451 429 HE2 LYS 69 HE2 LYS 69 10.395 8.920 -0.367 430 HE3 LYS 69 HE1 LYS 69 9.397 9.880 0.723 431 HZ1 LYS 69 HZ1 LYS 69 11.258 11.370 1.068 432 HZ2 LYS 69 HZ2 LYS 69 10.883 11.263 -0.577 433 HZ3 LYS 69 HZ3 LYS 69 12.229 10.443 0.036 434 H ALA 70 HN ALA 70 8.595 4.659 2.848 435 HA ALA 70 HA ALA 70 8.007 3.743 0.296 436 HB1 ALA 70 HB1 ALA 70 9.507 2.568 1.829 437 HB2 ALA 70 HB2 ALA 70 8.254 1.490 1.211 438 HB3 ALA 70 HB3 ALA 70 8.133 2.136 2.847 439 H LYS 71 HN LYS 71 6.181 3.086 3.293 440 HA LYS 71 HA LYS 71 3.899 1.964 2.298 441 HB2 LYS 71 HB2 LYS 71 4.239 3.903 4.578 442 HB3 LYS 71 HB1 LYS 71 2.726 3.082 4.242 443 HG2 LYS 71 HG2 LYS 71 3.740 0.942 4.657 444 HG3 LYS 71 HG1 LYS 71 5.326 1.694 4.847 445 HD2 LYS 71 HD2 LYS 71 4.269 1.154 7.016 446 HD3 LYS 71 HD1 LYS 71 4.568 2.881 6.820 447 HE2 LYS 71 HE2 LYS 71 2.213 3.196 6.172 448 HE3 LYS 71 HE1 LYS 71 1.926 1.473 6.414 449 HZ1 LYS 71 HZ1 LYS 71 2.442 1.723 8.735 450 HZ2 LYS 71 HZ2 LYS 71 1.235 2.830 8.317 451 HZ3 LYS 71 HZ3 LYS 71 2.831 3.355 8.525 452 H ASP 72 HN ASP 72 4.485 5.438 2.766 453 HA ASP 72 HA ASP 72 2.055 6.419 1.961 454 HB2 ASP 72 HB2 ASP 72 4.806 7.543 1.958 455 HB3 ASP 72 HB1 ASP 72 3.555 8.427 1.090 456 H SER 73 HN SER 73 4.840 5.726 -0.182 457 HA SER 73 HA SER 73 3.626 6.798 -2.480 458 HB2 SER 73 HB2 SER 73 5.333 5.547 -3.744 459 HB3 SER 73 HB1 SER 73 6.033 6.384 -2.361 460 HG SER 73 HG SER 73 5.810 4.308 -1.233 461 H ALA 74 HN ALA 74 3.532 3.556 -1.083 462 HA ALA 74 HA ALA 74 2.128 2.380 -3.289 463 HB1 ALA 74 HB1 ALA 74 3.480 1.087 -1.643 464 HB2 ALA 74 HB2 ALA 74 1.847 0.467 -1.874 465 HB3 ALA 74 HB3 ALA 74 2.233 1.414 -0.437 466 H ALA 75 HN ALA 75 1.258 3.785 -0.200 467 HA ALA 75 HA ALA 75 -1.484 3.281 -0.209 468 HB1 ALA 75 HB1 ALA 75 -0.074 5.677 0.968 469 HB2 ALA 75 HB2 ALA 75 -0.212 4.097 1.739 470 HB3 ALA 75 HB3 ALA 75 -1.657 5.054 1.428 471 H VAL 76 HN VAL 76 0.382 5.781 -1.874 472 HA VAL 76 HA VAL 76 -1.852 7.353 -2.678 473 HB VAL 76 HB VAL 76 0.888 7.116 -3.946 474 HG11 VAL 76 HG11 VAL 76 -1.234 9.229 -4.322 475 HG12 VAL 76 HG12 VAL 76 -0.749 8.025 -5.514 476 HG13 VAL 76 HG13 VAL 76 0.392 9.268 -5.001 477 HG21 VAL 76 HG21 VAL 76 -0.214 9.120 -1.979 478 HG22 VAL 76 HG22 VAL 76 1.366 9.210 -2.755 479 HG23 VAL 76 HG23 VAL 76 1.002 7.888 -1.646 480 H LEU 77 HN LEU 77 -0.233 4.530 -3.969 481 HA LEU 77 HA LEU 77 -1.648 4.494 -6.460 482 HB2 LEU 77 HB2 LEU 77 -0.201 2.299 -4.970 483 HB3 LEU 77 HB1 LEU 77 -0.777 2.188 -6.618 484 HG LEU 77 HG LEU 77 1.331 4.118 -5.658 485 HD11 LEU 77 HD11 LEU 77 1.596 1.596 -7.283 486 HD12 LEU 77 HD12 LEU 77 2.094 1.795 -5.603 487 HD13 LEU 77 HD13 LEU 77 2.896 2.715 -6.877 488 HD21 LEU 77 HD21 LEU 77 1.696 4.492 -8.064 489 HD22 LEU 77 HD22 LEU 77 0.093 4.998 -7.537 490 HD23 LEU 77 HD23 LEU 77 0.295 3.482 -8.413 491 H LEU 78 HN LEU 78 -2.104 3.323 -3.252 492 HA LEU 78 HA LEU 78 -4.355 1.675 -3.633 493 HB2 LEU 78 HB2 LEU 78 -2.803 2.160 -1.581 494 HB3 LEU 78 HB1 LEU 78 -3.979 3.407 -1.232 495 HG LEU 78 HG LEU 78 -5.741 1.698 -1.095 496 HD11 LEU 78 HD11 LEU 78 -5.099 -0.672 -1.025 497 HD12 LEU 78 HD12 LEU 78 -3.458 -0.234 -1.496 498 HD13 LEU 78 HD13 LEU 78 -4.799 0.042 -2.607 499 HD21 LEU 78 HD21 LEU 78 -4.752 2.349 0.947 500 HD22 LEU 78 HD22 LEU 78 -3.282 1.434 0.616 501 HD23 LEU 78 HD23 LEU 78 -4.789 0.586 0.983 502 H LEU 79 HN LEU 79 -3.951 5.147 -3.310 503 HA LEU 79 HA LEU 79 -6.630 5.886 -2.978 504 HB2 LEU 79 HB2 LEU 79 -4.147 7.212 -3.803 505 HB3 LEU 79 HB1 LEU 79 -5.602 7.948 -4.439 506 HG LEU 79 HG LEU 79 -4.856 9.010 -2.353 507 HD11 LEU 79 HD11 LEU 79 -7.226 9.031 -2.931 508 HD12 LEU 79 HD12 LEU 79 -6.992 8.965 -1.185 509 HD13 LEU 79 HD13 LEU 79 -7.455 7.510 -2.066 510 HD21 LEU 79 HD21 LEU 79 -5.440 6.341 -1.081 511 HD22 LEU 79 HD22 LEU 79 -4.994 7.824 -0.239 512 HD23 LEU 79 HD23 LEU 79 -3.836 7.038 -1.315 513 H GLU 80 HN GLU 80 -4.817 5.168 -5.949 514 HA GLU 80 HA GLU 80 -7.040 5.997 -7.588 515 HB2 GLU 80 HB2 GLU 80 -5.700 5.042 -9.484 516 HB3 GLU 80 HB1 GLU 80 -4.937 6.368 -8.603 517 HG2 GLU 80 HG2 GLU 80 -3.579 4.802 -7.390 518 HG3 GLU 80 HG1 GLU 80 -4.362 3.447 -8.197 519 H LEU 81 HN LEU 81 -5.683 3.025 -6.374 520 HA LEU 81 HA LEU 81 -7.264 1.169 -7.728 521 HB2 LEU 81 HB2 LEU 81 -5.261 0.818 -6.206 522 HB3 LEU 81 HB1 LEU 81 -6.379 0.980 -4.874 523 HG LEU 81 HG LEU 81 -5.734 -1.363 -5.599 524 HD11 LEU 81 HD11 LEU 81 -8.653 -0.656 -5.450 525 HD12 LEU 81 HD12 LEU 81 -7.575 -0.914 -4.078 526 HD13 LEU 81 HD13 LEU 81 -7.962 -2.254 -5.161 527 HD21 LEU 81 HD21 LEU 81 -5.959 -1.009 -8.006 528 HD22 LEU 81 HD22 LEU 81 -7.694 -0.770 -7.798 529 HD23 LEU 81 HD23 LEU 81 -6.972 -2.337 -7.437 530 H LEU 82 HN LEU 82 -7.712 2.602 -4.537 531 HA LEU 82 HA LEU 82 -10.393 1.869 -4.144 532 HB2 LEU 82 HB2 LEU 82 -8.502 3.822 -2.950 533 HB3 LEU 82 HB1 LEU 82 -10.201 4.023 -2.587 534 HG LEU 82 HG LEU 82 -10.291 2.161 -1.281 535 HD11 LEU 82 HD11 LEU 82 -8.011 1.001 -2.864 536 HD12 LEU 82 HD12 LEU 82 -9.701 0.489 -2.885 537 HD13 LEU 82 HD13 LEU 82 -8.723 0.239 -1.440 538 HD21 LEU 82 HD21 LEU 82 -8.674 3.711 -0.323 539 HD22 LEU 82 HD22 LEU 82 -7.369 2.860 -1.153 540 HD23 LEU 82 HD23 LEU 82 -8.298 2.041 0.105 541 H ASN 83 HN ASN 83 -9.216 3.965 -6.436 542 HA ASN 83 HA ASN 83 -11.642 5.621 -6.437 543 HB2 ASN 83 HB2 ASN 83 -9.225 6.560 -6.733 544 HB3 ASN 83 HB1 ASN 83 -9.343 5.908 -8.362 545 HD21 ASN 83 HD21 ASN 83 -9.066 8.652 -7.465 546 HD22 ASN 83 HD22 ASN 83 -10.418 9.515 -8.111 547 H LYS 84 HN LYS 84 -10.462 2.772 -7.561 548 HA LYS 84 HA LYS 84 -12.116 2.825 -9.984 549 HB2 LYS 84 HB2 LYS 84 -9.727 1.092 -9.322 550 HB3 LYS 84 HB1 LYS 84 -10.697 0.942 -10.779 551 HG2 LYS 84 HG2 LYS 84 -9.928 2.953 -11.647 552 HG3 LYS 84 HG1 LYS 84 -9.372 3.525 -10.077 553 HD2 LYS 84 HD2 LYS 84 -7.625 1.771 -10.096 554 HD3 LYS 84 HD1 LYS 84 -8.160 1.293 -11.711 555 HE2 LYS 84 HE2 LYS 84 -7.035 3.976 -10.916 556 HE3 LYS 84 HE1 LYS 84 -6.199 2.730 -11.837 557 HZ1 LYS 84 HZ1 LYS 84 -7.051 4.448 -13.284 558 HZ2 LYS 84 HZ2 LYS 84 -8.623 4.210 -12.708 559 HZ3 LYS 84 HZ3 LYS 84 -7.852 2.991 -13.592 560 H THR 85 HN THR 85 -13.036 2.436 -7.333 561 HA THR 85 HA THR 85 -14.036 -0.318 -7.503 562 HB THR 85 HB THR 85 -14.027 -0.371 -4.979 563 HG1 THR 85 HG1 THR 85 -13.679 1.991 -4.859 564 HG21 THR 85 HG21 THR 85 -11.646 -0.937 -4.784 565 HG22 THR 85 HG22 THR 85 -11.333 -0.147 -6.330 566 HG23 THR 85 HG23 THR 85 -12.345 -1.591 -6.265 Start of MODEL 10 1 H1 ASN 15 HT1 ASN 15 -4.986 5.004 5.916 2 H2 ASN 15 HT2 ASN 15 -5.923 6.226 6.612 3 H3 ASN 15 HT3 ASN 15 -6.245 5.712 5.033 4 HA ASN 15 HA ASN 15 -6.893 3.559 5.801 5 HB2 ASN 15 HB2 ASN 15 -6.223 4.675 8.522 6 HB3 ASN 15 HB1 ASN 15 -7.200 3.231 8.287 7 HD21 ASN 15 HD21 ASN 15 -5.770 1.864 9.262 8 HD22 ASN 15 HD22 ASN 15 -4.232 1.453 8.578 9 H ASP 16 HN ASP 16 -7.710 6.822 6.345 10 HA ASP 16 HA ASP 16 -10.147 6.489 7.760 11 HB2 ASP 16 HB2 ASP 16 -9.122 8.751 6.041 12 HB3 ASP 16 HB1 ASP 16 -10.647 8.818 6.915 13 H ILE 17 HN ILE 17 -9.371 6.745 4.314 14 HA ILE 17 HA ILE 17 -12.015 6.738 3.377 15 HB ILE 17 HB ILE 17 -9.457 5.867 2.038 16 HG12 ILE 17 HG12 ILE 17 -9.966 7.962 0.686 17 HG13 ILE 17 HG11 ILE 17 -11.208 8.313 1.877 18 HG21 ILE 17 HG21 ILE 17 -12.195 6.116 0.794 19 HG22 ILE 17 HG22 ILE 17 -11.299 4.616 1.041 20 HG23 ILE 17 HG23 ILE 17 -10.686 5.835 -0.077 21 HD11 ILE 17 HD11 ILE 17 -9.164 9.544 2.316 22 HD12 ILE 17 HD12 ILE 17 -8.278 8.025 2.456 23 HD13 ILE 17 HD13 ILE 17 -9.544 8.418 3.621 24 H CYS 18 HN CYS 18 -9.748 4.138 4.065 25 HA CYS 18 HA CYS 18 -11.325 1.994 3.114 26 HB2 CYS 18 HB2 CYS 18 -8.845 1.962 3.657 27 HB3 CYS 18 HB1 CYS 18 -9.294 1.908 5.360 28 HG CYS 18 HG CYS 18 -10.009 -0.610 5.480 29 H LEU 19 HN LEU 19 -10.964 3.570 6.223 30 HA LEU 19 HA LEU 19 -12.570 1.895 7.798 31 HB2 LEU 19 HB2 LEU 19 -11.032 3.663 8.605 32 HB3 LEU 19 HB1 LEU 19 -12.167 4.866 8.055 33 HG LEU 19 HG LEU 19 -13.843 4.020 9.647 34 HD11 LEU 19 HD11 LEU 19 -13.120 1.707 9.794 35 HD12 LEU 19 HD12 LEU 19 -13.160 2.444 11.395 36 HD13 LEU 19 HD13 LEU 19 -11.619 2.207 10.571 37 HD21 LEU 19 HD21 LEU 19 -11.189 4.712 10.902 38 HD22 LEU 19 HD22 LEU 19 -12.771 4.866 11.666 39 HD23 LEU 19 HD23 LEU 19 -12.367 5.864 10.271 40 H ARG 20 HN ARG 20 -13.298 4.856 6.034 41 HA ARG 20 HA ARG 20 -15.988 5.128 6.745 42 HB2 ARG 20 HB2 ARG 20 -14.639 6.891 5.672 43 HB3 ARG 20 HB1 ARG 20 -14.610 5.957 4.185 44 HG2 ARG 20 HG2 ARG 20 -17.044 6.170 4.007 45 HG3 ARG 20 HG1 ARG 20 -17.057 7.131 5.490 46 HD2 ARG 20 HD2 ARG 20 -15.563 8.767 4.391 47 HD3 ARG 20 HD1 ARG 20 -15.671 7.829 2.903 48 HE ARG 20 HE ARG 20 -18.270 8.408 3.672 49 HH11 ARG 20 HH11 ARG 20 -15.405 10.180 2.721 50 HH12 ARG 20 HH12 ARG 20 -16.296 11.504 2.044 51 HH21 ARG 20 HH21 ARG 20 -19.445 10.161 2.802 52 HH22 ARG 20 HH22 ARG 20 -18.591 11.503 2.105 53 H LYS 21 HN LYS 21 -14.434 3.247 4.231 54 HA LYS 21 HA LYS 21 -16.818 2.612 2.802 55 HB2 LYS 21 HB2 LYS 21 -14.001 1.586 2.771 56 HB3 LYS 21 HB1 LYS 21 -15.258 0.850 1.777 57 HG2 LYS 21 HG2 LYS 21 -14.361 3.723 1.690 58 HG3 LYS 21 HG1 LYS 21 -13.992 2.470 0.503 59 HD2 LYS 21 HD2 LYS 21 -16.796 3.292 1.193 60 HD3 LYS 21 HD1 LYS 21 -15.869 4.040 -0.085 61 HE2 LYS 21 HE2 LYS 21 -15.659 1.911 -1.221 62 HE3 LYS 21 HE1 LYS 21 -16.501 1.104 0.098 63 HZ1 LYS 21 HZ1 LYS 21 -17.683 3.211 -1.627 64 HZ2 LYS 21 HZ2 LYS 21 -18.484 2.331 -0.425 65 HZ3 LYS 21 HZ3 LYS 21 -17.937 1.550 -1.820 66 H ASN 22 HN ASN 22 -15.925 1.766 5.772 67 HA ASN 22 HA ASN 22 -16.708 0.270 7.276 68 HB2 ASN 22 HB2 ASN 22 -18.834 0.421 5.937 69 HB3 ASN 22 HB1 ASN 22 -18.285 -0.960 5.004 70 HD21 ASN 22 HD21 ASN 22 -19.427 0.138 8.101 71 HD22 ASN 22 HD22 ASN 22 -19.835 -1.421 8.728 72 H TRP 23 HN TRP 23 -14.441 -0.118 5.328 73 HA TRP 23 HA TRP 23 -14.085 -3.007 5.440 74 HB2 TRP 23 HB2 TRP 23 -12.186 -0.863 4.465 75 HB3 TRP 23 HB1 TRP 23 -11.968 -2.595 4.281 76 HD1 TRP 23 HD1 TRP 23 -15.159 -2.961 3.303 77 HE1 TRP 23 HE1 TRP 23 -15.647 -2.371 0.829 78 HE3 TRP 23 HE3 TRP 23 -11.064 -0.075 2.349 79 HZ2 TRP 23 HZ2 TRP 23 -14.408 -0.887 -1.246 80 HZ3 TRP 23 HZ3 TRP 23 -10.785 0.885 0.115 81 HH2 TRP 23 HH2 TRP 23 -12.420 0.490 -1.649 82 HA PRO 24 HA PRO 24 -11.450 -2.891 9.116 83 HB2 PRO 24 HB2 PRO 24 -9.823 -4.772 7.574 84 HB3 PRO 24 HB1 PRO 24 -10.464 -4.956 9.199 85 HG2 PRO 24 HG2 PRO 24 -11.506 -6.310 7.213 86 HG3 PRO 24 HG1 PRO 24 -12.573 -5.516 8.388 87 HD2 PRO 24 HD2 PRO 24 -11.802 -4.609 5.634 88 HD3 PRO 24 HD1 PRO 24 -13.387 -4.643 6.407 89 H MET 25 HN MET 25 -8.893 -2.958 9.409 90 HA MET 25 HA MET 25 -7.861 -0.747 7.881 91 HB2 MET 25 HB2 MET 25 -6.688 -2.422 10.100 92 HB3 MET 25 HB1 MET 25 -5.912 -1.000 9.406 93 HG2 MET 25 HG2 MET 25 -8.660 -0.934 10.600 94 HG3 MET 25 HG1 MET 25 -7.203 -0.646 11.533 95 HE1 MET 25 HE1 MET 25 -9.817 1.288 10.979 96 HE2 MET 25 HE2 MET 25 -9.052 2.870 10.850 97 HE3 MET 25 HE3 MET 25 -8.562 1.756 12.128 98 HA PRO 26 HA PRO 26 -6.072 -3.229 4.709 99 HB2 PRO 26 HB2 PRO 26 -4.136 -1.058 4.349 100 HB3 PRO 26 HB1 PRO 26 -5.330 -1.691 3.221 101 HG2 PRO 26 HG2 PRO 26 -5.607 0.719 4.390 102 HG3 PRO 26 HG1 PRO 26 -6.997 -0.306 3.993 103 HD2 PRO 26 HD2 PRO 26 -5.695 0.189 6.632 104 HD3 PRO 26 HD1 PRO 26 -7.409 -0.046 6.239 105 H SER 27 HN SER 27 -4.129 -4.242 4.101 106 HA SER 27 HA SER 27 -2.356 -4.794 6.328 107 HB2 SER 27 HB2 SER 27 -3.299 -6.571 4.791 108 HB3 SER 27 HB1 SER 27 -2.268 -5.914 3.524 109 HG SER 27 HG SER 27 -1.601 -7.391 5.795 110 H TYR 28 HN TYR 28 -0.136 -4.371 6.366 111 HA TYR 28 HA TYR 28 0.991 -2.895 4.144 112 HB2 TYR 28 HB2 TYR 28 0.788 -1.849 6.968 113 HB3 TYR 28 HB1 TYR 28 2.027 -1.282 5.857 114 HD1 TYR 28 HD2 TYR 28 -1.575 -1.288 6.594 115 HD2 TYR 28 HD1 TYR 28 1.469 0.167 4.000 116 HE1 TYR 28 HE2 TYR 28 -3.147 0.368 5.681 117 HE2 TYR 28 HE1 TYR 28 -0.090 1.826 3.085 118 HH TYR 28 HH TYR 28 -2.540 2.111 2.848 119 H ARG 29 HN ARG 29 2.771 -4.085 3.652 120 HA ARG 29 HA ARG 29 4.490 -5.072 5.785 121 HB2 ARG 29 HB2 ARG 29 2.897 -6.887 5.431 122 HB3 ARG 29 HB1 ARG 29 3.198 -6.846 3.701 123 HG2 ARG 29 HG2 ARG 29 5.557 -7.491 4.159 124 HG3 ARG 29 HG1 ARG 29 5.120 -7.686 5.858 125 HD2 ARG 29 HD2 ARG 29 3.443 -9.357 5.230 126 HD3 ARG 29 HD1 ARG 29 3.887 -9.161 3.537 127 HE ARG 29 HE ARG 29 5.910 -10.038 5.478 128 HH11 ARG 29 HH11 ARG 29 3.933 -10.672 2.653 129 HH12 ARG 29 HH12 ARG 29 4.773 -12.128 2.232 130 HH21 ARG 29 HH21 ARG 29 7.006 -11.976 4.931 131 HH22 ARG 29 HH22 ARG 29 6.512 -12.876 3.532 132 H CYS 30 HN CYS 30 6.530 -4.620 5.230 133 HA CYS 30 HA CYS 30 7.260 -3.630 2.698 134 HB2 CYS 30 HB2 CYS 30 9.003 -4.703 4.923 135 HB3 CYS 30 HB1 CYS 30 9.584 -3.779 3.542 136 HG CYS 30 HG CYS 30 7.740 -2.691 6.193 137 H VAL 31 HN VAL 31 7.640 -4.678 0.863 138 HA VAL 31 HA VAL 31 7.778 -7.567 0.916 139 HB VAL 31 HB VAL 31 7.592 -7.479 -1.507 140 HG11 VAL 31 HG11 VAL 31 5.563 -7.450 -0.178 141 HG12 VAL 31 HG12 VAL 31 5.349 -6.502 -1.650 142 HG13 VAL 31 HG13 VAL 31 5.621 -5.689 -0.109 143 HG21 VAL 31 HG21 VAL 31 7.216 -5.358 -2.685 144 HG22 VAL 31 HG22 VAL 31 8.843 -5.480 -2.013 145 HG23 VAL 31 HG23 VAL 31 7.629 -4.487 -1.208 146 H LYS 32 HN LYS 32 9.839 -4.851 0.014 147 HA LYS 32 HA LYS 32 12.099 -6.707 -0.029 148 HB2 LYS 32 HB2 LYS 32 11.358 -6.118 -2.370 149 HB3 LYS 32 HB1 LYS 32 11.762 -4.451 -2.000 150 HG2 LYS 32 HG2 LYS 32 14.080 -5.060 -1.626 151 HG3 LYS 32 HG1 LYS 32 13.698 -6.754 -1.939 152 HD2 LYS 32 HD2 LYS 32 13.030 -6.184 -4.220 153 HD3 LYS 32 HD1 LYS 32 13.391 -4.486 -3.906 154 HE2 LYS 32 HE2 LYS 32 15.733 -5.053 -3.508 155 HE3 LYS 32 HE1 LYS 32 15.376 -6.756 -3.795 156 HZ1 LYS 32 HZ1 LYS 32 14.714 -6.181 -6.055 157 HZ2 LYS 32 HZ2 LYS 32 16.320 -5.742 -5.754 158 HZ3 LYS 32 HZ3 LYS 32 15.111 -4.562 -5.774 159 H GLU 33 HN GLU 33 13.664 -6.068 1.255 160 HA GLU 33 HA GLU 33 13.874 -3.219 1.985 161 HB2 GLU 33 HB2 GLU 33 13.400 -4.752 3.873 162 HB3 GLU 33 HB1 GLU 33 14.868 -5.642 3.504 163 HG2 GLU 33 HG2 GLU 33 16.199 -3.660 4.001 164 HG3 GLU 33 HG1 GLU 33 14.726 -2.759 4.353 165 H GLY 34 HN GLY 34 15.932 -2.245 1.950 166 HA2 GLY 34 HA2 GLY 34 17.492 -3.170 -0.249 167 HA3 GLY 34 HA1 GLY 34 17.786 -1.730 0.706 168 H GLY 35 HN GLY 35 19.724 -3.520 -0.306 169 HA2 GLY 35 HA2 GLY 35 20.614 -5.356 1.700 170 HA3 GLY 35 HA1 GLY 35 21.466 -4.889 0.253 171 HA PRO 36 HA PRO 36 24.556 -3.686 3.214 172 HB2 PRO 36 HB2 PRO 36 25.367 -2.317 0.671 173 HB3 PRO 36 HB1 PRO 36 26.363 -3.203 1.828 174 HG2 PRO 36 HG2 PRO 36 25.592 -4.372 -0.416 175 HG3 PRO 36 HG1 PRO 36 25.592 -5.276 1.111 176 HD2 PRO 36 HD2 PRO 36 23.307 -4.194 -0.445 177 HD3 PRO 36 HD1 PRO 36 23.372 -5.614 0.613 178 H ALA 37 HN ALA 37 24.132 -1.054 0.865 179 HA ALA 37 HA ALA 37 22.771 0.690 2.642 180 HB1 ALA 37 HB1 ALA 37 25.703 1.284 2.249 181 HB2 ALA 37 HB2 ALA 37 24.968 0.726 3.750 182 HB3 ALA 37 HB3 ALA 37 24.534 2.301 3.088 183 H HIS 38 HN HIS 38 24.897 0.348 -0.141 184 HA HIS 38 HA HIS 38 24.009 2.714 -1.463 185 HB2 HIS 38 HB2 HIS 38 25.234 1.889 -3.400 186 HB3 HIS 38 HB1 HIS 38 26.197 1.663 -1.948 187 HD1 HIS 38 HD1 HIS 38 26.765 -0.751 -1.262 188 HD2 HIS 38 HD2 HIS 38 24.351 -0.487 -4.640 189 HE1 HIS 38 HE1 HIS 38 26.706 -3.066 -2.235 190 HE2 HIS 38 HE2 HIS 38 25.157 -2.908 -4.218 191 H ALA 39 HN ALA 39 22.194 0.260 -0.657 192 HA ALA 39 HA ALA 39 20.416 0.563 -2.935 193 HB1 ALA 39 HB1 ALA 39 20.056 -1.833 -3.169 194 HB2 ALA 39 HB2 ALA 39 21.272 -2.149 -1.931 195 HB3 ALA 39 HB3 ALA 39 21.746 -1.429 -3.470 196 H LYS 40 HN LYS 40 20.382 1.528 -0.241 197 HA LYS 40 HA LYS 40 18.679 -0.191 1.298 198 HB2 LYS 40 HB2 LYS 40 20.462 1.676 2.054 199 HB3 LYS 40 HB1 LYS 40 18.968 2.598 2.162 200 HG2 LYS 40 HG2 LYS 40 19.491 1.585 4.297 201 HG3 LYS 40 HG1 LYS 40 18.011 0.901 3.628 202 HD2 LYS 40 HD2 LYS 40 19.349 -1.021 2.785 203 HD3 LYS 40 HD1 LYS 40 20.757 -0.349 3.605 204 HE2 LYS 40 HE2 LYS 40 19.651 -0.570 5.746 205 HE3 LYS 40 HE1 LYS 40 18.178 -1.131 4.958 206 HZ1 LYS 40 HZ1 LYS 40 19.378 -3.078 4.175 207 HZ2 LYS 40 HZ2 LYS 40 19.460 -2.967 5.862 208 HZ3 LYS 40 HZ3 LYS 40 20.796 -2.534 4.923 209 H ARG 41 HN ARG 41 17.769 0.880 -1.293 210 HA ARG 41 HA ARG 41 15.525 2.563 -0.572 211 HB2 ARG 41 HB2 ARG 41 14.818 2.172 -2.970 212 HB3 ARG 41 HB1 ARG 41 16.347 2.999 -2.749 213 HG2 ARG 41 HG2 ARG 41 17.545 0.915 -3.214 214 HG3 ARG 41 HG1 ARG 41 16.001 0.082 -3.425 215 HD2 ARG 41 HD2 ARG 41 15.452 1.598 -5.275 216 HD3 ARG 41 HD1 ARG 41 17.006 2.401 -5.070 217 HE ARG 41 HE ARG 41 17.762 -0.129 -5.483 218 HH11 ARG 41 HH11 ARG 41 15.491 1.920 -7.189 219 HH12 ARG 41 HH12 ARG 41 15.732 1.133 -8.718 220 HH21 ARG 41 HH21 ARG 41 18.101 -1.150 -7.508 221 HH22 ARG 41 HH22 ARG 41 17.225 -0.596 -8.900 222 H PHE 42 HN PHE 42 13.527 1.930 -0.216 223 HA PHE 42 HA PHE 42 13.157 -0.974 0.120 224 HB2 PHE 42 HB2 PHE 42 11.652 1.180 1.599 225 HB3 PHE 42 HB1 PHE 42 11.778 -0.527 2.008 226 HD1 PHE 42 HD1 PHE 42 14.497 -1.197 2.077 227 HD2 PHE 42 HD2 PHE 42 12.698 2.517 3.105 228 HE1 PHE 42 HE1 PHE 42 16.407 -0.684 3.546 229 HE2 PHE 42 HE2 PHE 42 14.591 3.027 4.587 230 HZ PHE 42 HZ PHE 42 16.443 1.425 4.815 231 H THR 43 HN THR 43 11.305 -1.960 -0.471 232 HA THR 43 HA THR 43 9.322 -0.352 -1.929 233 HB THR 43 HB THR 43 10.340 -3.078 -2.792 234 HG1 THR 43 HG1 THR 43 10.979 -0.435 -3.628 235 HG21 THR 43 HG21 THR 43 9.084 -2.607 -4.848 236 HG22 THR 43 HG22 THR 43 8.523 -1.084 -4.161 237 HG23 THR 43 HG23 THR 43 8.022 -2.613 -3.440 238 H PHE 44 HN PHE 44 7.174 -0.941 -1.513 239 HA PHE 44 HA PHE 44 6.715 -3.333 0.079 240 HB2 PHE 44 HB2 PHE 44 6.655 -2.041 1.943 241 HB3 PHE 44 HB1 PHE 44 6.646 -0.553 1.004 242 HD1 PHE 44 HD2 PHE 44 4.477 -3.264 2.277 243 HD2 PHE 44 HD1 PHE 44 4.729 0.693 0.770 244 HE1 PHE 44 HE2 PHE 44 2.109 -2.913 2.813 245 HE2 PHE 44 HE1 PHE 44 2.371 1.056 1.327 246 HZ PHE 44 HZ PHE 44 1.061 -0.747 2.355 247 H GLY 45 HN GLY 45 4.451 -4.002 0.001 248 HA2 GLY 45 HA2 GLY 45 2.909 -2.650 -2.125 249 HA3 GLY 45 HA1 GLY 45 3.007 -4.403 -2.016 250 H VAL 46 HN VAL 46 0.721 -2.386 -1.778 251 HA VAL 46 HA VAL 46 -0.158 -2.943 0.989 252 HB VAL 46 HB VAL 46 -1.736 -1.129 -0.740 253 HG11 VAL 46 HG11 VAL 46 -0.894 -1.102 2.142 254 HG12 VAL 46 HG12 VAL 46 -2.481 -1.491 1.480 255 HG13 VAL 46 HG13 VAL 46 -1.865 0.158 1.386 256 HG21 VAL 46 HG21 VAL 46 0.451 -0.369 -1.358 257 HG22 VAL 46 HG22 VAL 46 0.945 -0.299 0.332 258 HG23 VAL 46 HG23 VAL 46 -0.290 0.806 -0.271 259 H ARG 47 HN ARG 47 -2.344 -3.734 1.320 260 HA ARG 47 HA ARG 47 -3.923 -4.251 -1.043 261 HB2 ARG 47 HB2 ARG 47 -4.440 -6.570 -0.254 262 HB3 ARG 47 HB1 ARG 47 -2.781 -6.371 -0.800 263 HG2 ARG 47 HG2 ARG 47 -2.079 -6.181 1.563 264 HG3 ARG 47 HG1 ARG 47 -3.745 -6.480 2.048 265 HD2 ARG 47 HD2 ARG 47 -2.602 -8.551 2.201 266 HD3 ARG 47 HD1 ARG 47 -3.628 -8.635 0.772 267 HE ARG 47 HE ARG 47 -0.930 -7.781 0.229 268 HH11 ARG 47 HH11 ARG 47 -3.068 -10.530 0.573 269 HH12 ARG 47 HH12 ARG 47 -2.054 -11.595 -0.340 270 HH21 ARG 47 HH21 ARG 47 0.429 -9.182 -0.952 271 HH22 ARG 47 HH22 ARG 47 -0.063 -10.836 -1.207 272 H VAL 48 HN VAL 48 -6.110 -4.185 -0.608 273 HA VAL 48 HA VAL 48 -6.852 -3.518 2.181 274 HB VAL 48 HB VAL 48 -7.927 -2.314 -0.374 275 HG11 VAL 48 HG11 VAL 48 -8.740 -1.781 2.477 276 HG12 VAL 48 HG12 VAL 48 -9.720 -2.587 1.250 277 HG13 VAL 48 HG13 VAL 48 -9.296 -0.884 1.063 278 HG21 VAL 48 HG21 VAL 48 -6.931 -0.279 0.323 279 HG22 VAL 48 HG22 VAL 48 -5.692 -1.529 0.472 280 HG23 VAL 48 HG23 VAL 48 -6.534 -0.944 1.905 281 H ASN 49 HN ASN 49 -9.002 -4.105 2.837 282 HA ASN 49 HA ASN 49 -9.924 -6.535 1.505 283 HB2 ASN 49 HB2 ASN 49 -9.504 -6.527 3.971 284 HB3 ASN 49 HB1 ASN 49 -10.801 -5.357 4.147 285 HD21 ASN 49 HD21 ASN 49 -10.016 -8.661 3.358 286 HD22 ASN 49 HD22 ASN 49 -11.616 -9.291 3.537 287 H THR 50 HN THR 50 -10.811 -5.508 -0.233 288 HA THR 50 HA THR 50 -12.969 -3.607 0.055 289 HB THR 50 HB THR 50 -13.421 -4.004 -2.382 290 HG1 THR 50 HG1 THR 50 -11.320 -5.872 -1.995 291 HG21 THR 50 HG21 THR 50 -11.362 -2.902 -3.144 292 HG22 THR 50 HG22 THR 50 -10.596 -3.292 -1.605 293 HG23 THR 50 HG23 THR 50 -11.978 -2.199 -1.649 294 H SER 51 HN SER 51 -14.817 -4.139 0.880 295 HA SER 51 HA SER 51 -15.632 -6.640 1.602 296 HB2 SER 51 HB2 SER 51 -16.533 -4.460 2.431 297 HB3 SER 51 HB1 SER 51 -17.509 -4.364 0.968 298 HG SER 51 HG SER 51 -17.713 -6.133 3.142 299 H ASP 52 HN ASP 52 -16.086 -5.157 -1.525 300 HA ASP 52 HA ASP 52 -18.153 -7.017 -2.305 301 HB2 ASP 52 HB2 ASP 52 -18.267 -5.835 -4.346 302 HB3 ASP 52 HB1 ASP 52 -17.996 -4.622 -3.103 303 H ARG 53 HN ARG 53 -14.688 -7.016 -2.383 304 HA ARG 53 HA ARG 53 -14.746 -9.232 -4.323 305 HB2 ARG 53 HB2 ARG 53 -13.972 -7.011 -5.295 306 HB3 ARG 53 HB1 ARG 53 -12.580 -7.137 -4.230 307 HG2 ARG 53 HG2 ARG 53 -11.699 -8.042 -6.117 308 HG3 ARG 53 HG1 ARG 53 -12.356 -9.500 -5.372 309 HD2 ARG 53 HD2 ARG 53 -13.722 -7.829 -7.478 310 HD3 ARG 53 HD1 ARG 53 -12.904 -9.360 -7.759 311 HE ARG 53 HE ARG 53 -14.624 -10.343 -6.225 312 HH11 ARG 53 HH11 ARG 53 -15.295 -7.353 -7.927 313 HH12 ARG 53 HH12 ARG 53 -17.000 -7.655 -8.035 314 HH21 ARG 53 HH21 ARG 53 -16.867 -10.726 -6.356 315 HH22 ARG 53 HH22 ARG 53 -17.896 -9.564 -7.140 316 H GLY 54 HN GLY 54 -12.926 -7.551 -1.811 317 HA2 GLY 54 HA2 GLY 54 -12.183 -8.959 0.083 318 HA3 GLY 54 HA1 GLY 54 -11.596 -10.084 -1.129 319 H TRP 55 HN TRP 55 -9.520 -9.946 -0.186 320 HA TRP 55 HA TRP 55 -7.951 -7.677 0.013 321 HB2 TRP 55 HB2 TRP 55 -7.361 -10.547 -0.543 322 HB3 TRP 55 HB1 TRP 55 -6.073 -9.375 -0.777 323 HD1 TRP 55 HD1 TRP 55 -6.862 -11.718 1.685 324 HE1 TRP 55 HE1 TRP 55 -6.225 -10.975 4.063 325 HE3 TRP 55 HE3 TRP 55 -6.423 -6.699 0.873 326 HZ2 TRP 55 HZ2 TRP 55 -5.605 -8.564 5.399 327 HZ3 TRP 55 HZ3 TRP 55 -5.803 -5.252 2.757 328 HH2 TRP 55 HH2 TRP 55 -5.416 -6.156 4.976 329 H THR 56 HN THR 56 -7.408 -6.196 -1.385 330 HA THR 56 HA THR 56 -7.967 -6.368 -4.158 331 HB THR 56 HB THR 56 -6.781 -4.187 -4.311 332 HG1 THR 56 HG1 THR 56 -5.277 -4.017 -2.804 333 HG21 THR 56 HG21 THR 56 -8.753 -4.411 -2.041 334 HG22 THR 56 HG22 THR 56 -9.153 -4.260 -3.752 335 HG23 THR 56 HG23 THR 56 -8.349 -2.933 -2.914 336 H ASP 57 HN ASP 57 -6.300 -5.801 -5.841 337 HA ASP 57 HA ASP 57 -4.115 -7.586 -5.865 338 HB2 ASP 57 HB2 ASP 57 -4.496 -5.057 -7.484 339 HB3 ASP 57 HB1 ASP 57 -3.358 -6.343 -7.849 340 H GLU 58 HN GLU 58 -2.173 -7.393 -4.965 341 HA GLU 58 HA GLU 58 -1.685 -5.371 -3.105 342 HB2 GLU 58 HB2 GLU 58 -0.752 -7.593 -2.878 343 HB3 GLU 58 HB1 GLU 58 0.254 -7.349 -4.297 344 HG2 GLU 58 HG2 GLU 58 1.509 -5.646 -3.162 345 HG3 GLU 58 HG1 GLU 58 0.428 -5.719 -1.774 346 H CYS 59 HN CYS 59 -1.048 -3.430 -3.355 347 HA CYS 59 HA CYS 59 -0.061 -2.547 -5.957 348 HB2 CYS 59 HB2 CYS 59 -0.906 -0.905 -3.562 349 HB3 CYS 59 HB1 CYS 59 -0.609 -0.305 -5.190 350 HG CYS 59 HG CYS 59 -2.900 -2.719 -5.152 351 H ILE 60 HN ILE 60 2.081 -3.024 -6.028 352 HA ILE 60 HA ILE 60 3.865 -2.488 -3.870 353 HB ILE 60 HB ILE 60 4.199 -3.336 -6.733 354 HG12 ILE 60 HG12 ILE 60 5.272 -5.280 -5.712 355 HG13 ILE 60 HG11 ILE 60 5.113 -4.556 -4.118 356 HG21 ILE 60 HG21 ILE 60 6.460 -2.570 -4.902 357 HG22 ILE 60 HG22 ILE 60 5.982 -1.733 -6.378 358 HG23 ILE 60 HG23 ILE 60 6.627 -3.373 -6.464 359 HD11 ILE 60 HD11 ILE 60 2.904 -5.502 -5.918 360 HD12 ILE 60 HD12 ILE 60 2.661 -4.628 -4.407 361 HD13 ILE 60 HD13 ILE 60 3.428 -6.216 -4.393 362 H GLY 61 HN GLY 61 4.729 -0.664 -3.333 363 HA2 GLY 61 HA2 GLY 61 4.317 1.704 -4.950 364 HA3 GLY 61 HA1 GLY 61 4.973 1.647 -3.322 365 H GLU 62 HN GLU 62 6.442 3.254 -4.248 366 HA GLU 62 HA GLU 62 8.351 2.306 -6.223 367 HB2 GLU 62 HB2 GLU 62 8.046 4.992 -4.870 368 HB3 GLU 62 HB1 GLU 62 9.136 4.635 -6.204 369 HG2 GLU 62 HG2 GLU 62 7.241 4.132 -7.640 370 HG3 GLU 62 HG1 GLU 62 6.135 4.440 -6.303 371 HA PRO 63 HA PRO 63 11.643 1.383 -3.332 372 HB2 PRO 63 HB2 PRO 63 13.412 2.621 -5.359 373 HB3 PRO 63 HB1 PRO 63 13.463 0.997 -4.664 374 HG2 PRO 63 HG2 PRO 63 12.638 1.414 -7.177 375 HG3 PRO 63 HG1 PRO 63 11.901 0.170 -6.151 376 HD2 PRO 63 HD2 PRO 63 10.862 2.871 -6.895 377 HD3 PRO 63 HD1 PRO 63 9.990 1.340 -6.695 378 H MET 64 HN MET 64 11.613 2.738 -1.620 379 HA MET 64 HA MET 64 12.323 5.560 -2.058 380 HB2 MET 64 HB2 MET 64 10.531 4.336 0.041 381 HB3 MET 64 HB1 MET 64 10.945 6.042 -0.070 382 HG2 MET 64 HG2 MET 64 9.453 4.457 -2.147 383 HG3 MET 64 HG1 MET 64 8.747 5.580 -0.992 384 HE1 MET 64 HE1 MET 64 8.892 8.176 -1.145 385 HE2 MET 64 HE2 MET 64 10.076 9.018 -2.145 386 HE3 MET 64 HE3 MET 64 10.615 7.967 -0.834 387 HA PRO 65 HA PRO 65 15.776 4.788 0.575 388 HB2 PRO 65 HB2 PRO 65 16.429 7.310 1.265 389 HB3 PRO 65 HB1 PRO 65 16.653 6.692 -0.376 390 HG2 PRO 65 HG2 PRO 65 14.453 8.401 0.720 391 HG3 PRO 65 HG1 PRO 65 15.323 8.549 -0.817 392 HD2 PRO 65 HD2 PRO 65 12.855 7.410 -0.592 393 HD3 PRO 65 HD1 PRO 65 14.030 6.951 -1.840 394 H SER 66 HN SER 66 12.811 5.633 1.796 395 HA SER 66 HA SER 66 13.742 5.238 4.525 396 HB2 SER 66 HB2 SER 66 13.562 7.633 4.430 397 HB3 SER 66 HB1 SER 66 12.025 7.540 3.573 398 HG SER 66 HG SER 66 12.567 7.342 6.264 399 H VAL 67 HN VAL 67 12.308 4.098 5.769 400 HA VAL 67 HA VAL 67 10.528 2.393 4.388 401 HB VAL 67 HB VAL 67 9.867 1.589 6.675 402 HG11 VAL 67 HG11 VAL 67 11.697 0.557 5.450 403 HG12 VAL 67 HG12 VAL 67 12.047 0.591 7.178 404 HG13 VAL 67 HG13 VAL 67 12.822 1.749 6.098 405 HG21 VAL 67 HG21 VAL 67 11.156 2.393 8.598 406 HG22 VAL 67 HG22 VAL 67 10.169 3.676 7.901 407 HG23 VAL 67 HG23 VAL 67 11.903 3.625 7.582 408 H LYS 68 HN LYS 68 10.021 5.301 6.316 409 HA LYS 68 HA LYS 68 7.252 5.146 6.544 410 HB2 LYS 68 HB2 LYS 68 8.896 6.717 7.703 411 HB3 LYS 68 HB1 LYS 68 8.848 7.683 6.233 412 HG2 LYS 68 HG2 LYS 68 6.476 8.010 6.486 413 HG3 LYS 68 HG1 LYS 68 6.482 6.942 7.889 414 HD2 LYS 68 HD2 LYS 68 7.846 8.490 9.130 415 HD3 LYS 68 HD1 LYS 68 8.026 9.520 7.709 416 HE2 LYS 68 HE2 LYS 68 6.370 10.406 9.292 417 HE3 LYS 68 HE1 LYS 68 5.656 10.017 7.730 418 HZ1 LYS 68 HZ1 LYS 68 5.520 8.304 10.152 419 HZ2 LYS 68 HZ2 LYS 68 4.807 7.964 8.658 420 HZ3 LYS 68 HZ3 LYS 68 4.268 9.278 9.567 421 H LYS 69 HN LYS 69 9.357 6.438 4.017 422 HA LYS 69 HA LYS 69 7.224 7.619 2.518 423 HB2 LYS 69 HB2 LYS 69 10.023 6.970 1.582 424 HB3 LYS 69 HB1 LYS 69 8.913 8.136 0.877 425 HG2 LYS 69 HG2 LYS 69 9.025 9.443 2.958 426 HG3 LYS 69 HG1 LYS 69 10.218 8.304 3.575 427 HD2 LYS 69 HD2 LYS 69 11.430 10.159 2.737 428 HD3 LYS 69 HD1 LYS 69 11.617 8.867 1.549 429 HE2 LYS 69 HE2 LYS 69 10.026 9.868 0.093 430 HE3 LYS 69 HE1 LYS 69 9.522 11.017 1.329 431 HZ1 LYS 69 HZ1 LYS 69 10.955 12.065 -0.288 432 HZ2 LYS 69 HZ2 LYS 69 12.180 10.937 0.008 433 HZ3 LYS 69 HZ3 LYS 69 11.722 12.025 1.218 434 H ALA 70 HN ALA 70 8.823 4.548 2.665 435 HA ALA 70 HA ALA 70 8.097 3.460 0.208 436 HB1 ALA 70 HB1 ALA 70 8.295 2.033 2.859 437 HB2 ALA 70 HB2 ALA 70 9.642 2.371 1.771 438 HB3 ALA 70 HB3 ALA 70 8.350 1.281 1.265 439 H LYS 71 HN LYS 71 6.375 3.015 3.320 440 HA LYS 71 HA LYS 71 4.086 1.905 2.181 441 HB2 LYS 71 HB2 LYS 71 3.117 1.980 4.286 442 HB3 LYS 71 HB1 LYS 71 4.840 1.899 4.615 443 HG2 LYS 71 HG2 LYS 71 4.927 4.229 5.100 444 HG3 LYS 71 HG1 LYS 71 3.251 4.417 4.588 445 HD2 LYS 71 HD2 LYS 71 2.521 2.971 6.421 446 HD3 LYS 71 HD1 LYS 71 4.199 2.753 6.922 447 HE2 LYS 71 HE2 LYS 71 4.375 5.150 7.362 448 HE3 LYS 71 HE1 LYS 71 2.699 5.367 6.861 449 HZ1 LYS 71 HZ1 LYS 71 2.012 3.942 8.695 450 HZ2 LYS 71 HZ2 LYS 71 2.890 5.269 9.259 451 HZ3 LYS 71 HZ3 LYS 71 3.624 3.749 9.173 452 H ASP 72 HN ASP 72 4.761 5.250 3.108 453 HA ASP 72 HA ASP 72 2.427 6.453 2.357 454 HB2 ASP 72 HB2 ASP 72 5.231 7.340 2.486 455 HB3 ASP 72 HB1 ASP 72 4.180 8.322 1.470 456 H SER 73 HN SER 73 5.139 5.738 0.119 457 HA SER 73 HA SER 73 3.885 6.992 -2.084 458 HB2 SER 73 HB2 SER 73 5.607 5.783 -3.448 459 HB3 SER 73 HB1 SER 73 6.272 6.711 -2.104 460 HG SER 73 HG SER 73 6.653 4.863 -0.998 461 H ALA 74 HN ALA 74 3.898 3.635 -0.962 462 HA ALA 74 HA ALA 74 2.584 2.584 -3.269 463 HB1 ALA 74 HB1 ALA 74 2.566 1.455 -0.476 464 HB2 ALA 74 HB2 ALA 74 3.886 1.233 -1.625 465 HB3 ALA 74 HB3 ALA 74 2.287 0.585 -1.986 466 H ALA 75 HN ALA 75 1.506 3.667 -0.113 467 HA ALA 75 HA ALA 75 -1.220 3.206 -0.255 468 HB1 ALA 75 HB1 ALA 75 -1.495 5.022 1.344 469 HB2 ALA 75 HB2 ALA 75 0.132 5.603 0.985 470 HB3 ALA 75 HB3 ALA 75 -0.093 4.033 1.755 471 H VAL 76 HN VAL 76 0.652 5.828 -1.748 472 HA VAL 76 HA VAL 76 -1.506 7.456 -2.529 473 HB VAL 76 HB VAL 76 1.207 7.112 -3.830 474 HG11 VAL 76 HG11 VAL 76 -0.817 9.322 -4.172 475 HG12 VAL 76 HG12 VAL 76 -0.386 8.114 -5.383 476 HG13 VAL 76 HG13 VAL 76 0.810 9.297 -4.851 477 HG21 VAL 76 HG21 VAL 76 0.208 9.153 -1.846 478 HG22 VAL 76 HG22 VAL 76 1.800 9.147 -2.605 479 HG23 VAL 76 HG23 VAL 76 1.340 7.844 -1.510 480 H LEU 77 HN LEU 77 0.014 4.651 -4.007 481 HA LEU 77 HA LEU 77 -1.444 4.836 -6.474 482 HB2 LEU 77 HB2 LEU 77 0.024 2.497 -5.243 483 HB3 LEU 77 HB1 LEU 77 -0.529 2.602 -6.898 484 HG LEU 77 HG LEU 77 1.591 4.348 -5.653 485 HD11 LEU 77 HD11 LEU 77 1.809 2.095 -7.645 486 HD12 LEU 77 HD12 LEU 77 2.349 2.058 -5.967 487 HD13 LEU 77 HD13 LEU 77 3.129 3.139 -7.120 488 HD21 LEU 77 HD21 LEU 77 0.586 4.192 -8.492 489 HD22 LEU 77 HD22 LEU 77 1.969 5.137 -7.941 490 HD23 LEU 77 HD23 LEU 77 0.348 5.533 -7.372 491 H LEU 78 HN LEU 78 -1.762 3.269 -3.399 492 HA LEU 78 HA LEU 78 -3.882 1.510 -3.946 493 HB2 LEU 78 HB2 LEU 78 -2.446 1.444 -1.955 494 HB3 LEU 78 HB1 LEU 78 -3.157 2.945 -1.407 495 HG LEU 78 HG LEU 78 -5.386 1.686 -1.439 496 HD11 LEU 78 HD11 LEU 78 -4.531 -0.238 -2.730 497 HD12 LEU 78 HD12 LEU 78 -5.266 -0.705 -1.200 498 HD13 LEU 78 HD13 LEU 78 -3.513 -0.673 -1.358 499 HD21 LEU 78 HD21 LEU 78 -3.127 1.370 0.492 500 HD22 LEU 78 HD22 LEU 78 -4.675 0.572 0.804 501 HD23 LEU 78 HD23 LEU 78 -4.604 2.327 0.637 502 H LEU 79 HN LEU 79 -3.786 4.867 -2.886 503 HA LEU 79 HA LEU 79 -6.520 5.266 -2.475 504 HB2 LEU 79 HB2 LEU 79 -4.179 6.982 -2.991 505 HB3 LEU 79 HB1 LEU 79 -5.731 7.691 -3.379 506 HG LEU 79 HG LEU 79 -4.943 8.265 -1.106 507 HD11 LEU 79 HD11 LEU 79 -7.431 6.562 -1.157 508 HD12 LEU 79 HD12 LEU 79 -7.331 8.259 -1.626 509 HD13 LEU 79 HD13 LEU 79 -7.031 7.788 0.046 510 HD21 LEU 79 HD21 LEU 79 -5.306 5.323 -0.556 511 HD22 LEU 79 HD22 LEU 79 -4.956 6.568 0.643 512 HD23 LEU 79 HD23 LEU 79 -3.767 6.181 -0.602 513 H GLU 80 HN GLU 80 -4.669 5.092 -5.430 514 HA GLU 80 HA GLU 80 -6.690 6.152 -7.134 515 HB2 GLU 80 HB2 GLU 80 -4.382 4.298 -7.733 516 HB3 GLU 80 HB1 GLU 80 -5.314 5.209 -8.920 517 HG2 GLU 80 HG2 GLU 80 -3.703 6.436 -6.699 518 HG3 GLU 80 HG1 GLU 80 -3.140 6.235 -8.349 519 H LEU 81 HN LEU 81 -5.840 2.960 -5.952 520 HA LEU 81 HA LEU 81 -7.605 1.426 -7.522 521 HB2 LEU 81 HB2 LEU 81 -5.695 0.855 -5.722 522 HB3 LEU 81 HB1 LEU 81 -7.104 0.673 -4.703 523 HG LEU 81 HG LEU 81 -6.613 -0.821 -7.265 524 HD11 LEU 81 HD11 LEU 81 -5.073 -1.448 -5.457 525 HD12 LEU 81 HD12 LEU 81 -6.194 -2.749 -5.860 526 HD13 LEU 81 HD13 LEU 81 -6.456 -1.775 -4.412 527 HD21 LEU 81 HD21 LEU 81 -8.770 -1.166 -5.184 528 HD22 LEU 81 HD22 LEU 81 -8.516 -2.203 -6.589 529 HD23 LEU 81 HD23 LEU 81 -8.995 -0.520 -6.810 530 H LEU 82 HN LEU 82 -7.897 2.829 -4.288 531 HA LEU 82 HA LEU 82 -10.637 2.215 -3.927 532 HB2 LEU 82 HB2 LEU 82 -8.567 3.809 -2.550 533 HB3 LEU 82 HB1 LEU 82 -10.228 4.265 -2.229 534 HG LEU 82 HG LEU 82 -10.729 2.165 -1.286 535 HD11 LEU 82 HD11 LEU 82 -9.194 0.268 -1.263 536 HD12 LEU 82 HD12 LEU 82 -8.055 1.179 -2.256 537 HD13 LEU 82 HD13 LEU 82 -9.631 0.728 -2.910 538 HD21 LEU 82 HD21 LEU 82 -9.079 1.959 0.517 539 HD22 LEU 82 HD22 LEU 82 -9.480 3.643 0.184 540 HD23 LEU 82 HD23 LEU 82 -7.963 2.965 -0.404 541 H ASN 83 HN ASN 83 -9.249 4.316 -6.047 542 HA ASN 83 HA ASN 83 -11.394 6.305 -5.883 543 HB2 ASN 83 HB2 ASN 83 -8.970 7.003 -6.162 544 HB3 ASN 83 HB1 ASN 83 -9.025 6.274 -7.762 545 HD21 ASN 83 HD21 ASN 83 -10.128 8.880 -5.758 546 HD22 ASN 83 HD22 ASN 83 -10.725 9.881 -7.037 547 H LYS 84 HN LYS 84 -10.592 3.433 -7.370 548 HA LYS 84 HA LYS 84 -12.351 3.959 -9.665 549 HB2 LYS 84 HB2 LYS 84 -10.057 2.018 -9.378 550 HB3 LYS 84 HB1 LYS 84 -11.173 2.015 -10.739 551 HG2 LYS 84 HG2 LYS 84 -9.549 4.410 -9.957 552 HG3 LYS 84 HG1 LYS 84 -8.988 3.199 -11.114 553 HD2 LYS 84 HD2 LYS 84 -10.947 3.649 -12.514 554 HD3 LYS 84 HD1 LYS 84 -11.501 4.854 -11.352 555 HE2 LYS 84 HE2 LYS 84 -8.904 4.964 -12.883 556 HE3 LYS 84 HE1 LYS 84 -10.364 5.862 -13.289 557 HZ1 LYS 84 HZ1 LYS 84 -10.211 7.003 -11.167 558 HZ2 LYS 84 HZ2 LYS 84 -8.799 7.225 -12.066 559 HZ3 LYS 84 HZ3 LYS 84 -8.811 6.138 -10.775 560 H THR 85 HN THR 85 -13.495 3.404 -7.261 561 HA THR 85 HA THR 85 -14.829 0.919 -7.834 562 HB THR 85 HB THR 85 -13.018 0.106 -6.434 563 HG1 THR 85 HG1 THR 85 -15.199 -0.743 -6.146 564 HG21 THR 85 HG21 THR 85 -12.485 2.166 -5.248 565 HG22 THR 85 HG22 THR 85 -12.761 0.842 -4.115 566 HG23 THR 85 HG23 THR 85 -14.007 2.063 -4.367 Start of MODEL 11 1 H1 ASN 15 HT1 ASN 15 -5.781 6.087 3.578 2 H2 ASN 15 HT2 ASN 15 -4.428 5.616 4.469 3 H3 ASN 15 HT3 ASN 15 -5.214 7.065 4.834 4 HA ASN 15 HA ASN 15 -6.304 4.328 5.169 5 HB2 ASN 15 HB2 ASN 15 -6.271 4.879 7.570 6 HB3 ASN 15 HB1 ASN 15 -4.655 4.975 6.882 7 HD21 ASN 15 HD21 ASN 15 -5.737 6.222 9.284 8 HD22 ASN 15 HD22 ASN 15 -5.499 7.924 9.084 9 H ASP 16 HN ASP 16 -6.999 7.672 4.652 10 HA ASP 16 HA ASP 16 -9.449 7.821 6.091 11 HB2 ASP 16 HB2 ASP 16 -8.241 9.841 5.498 12 HB3 ASP 16 HB1 ASP 16 -8.375 9.465 3.789 13 H ILE 17 HN ILE 17 -8.643 7.308 2.687 14 HA ILE 17 HA ILE 17 -11.267 7.103 1.737 15 HB ILE 17 HB ILE 17 -8.714 5.947 0.619 16 HG12 ILE 17 HG12 ILE 17 -9.080 7.773 -1.080 17 HG13 ILE 17 HG11 ILE 17 -10.372 8.375 -0.060 18 HG21 ILE 17 HG21 ILE 17 -11.421 6.102 -0.700 19 HG22 ILE 17 HG22 ILE 17 -10.631 4.628 -0.145 20 HG23 ILE 17 HG23 ILE 17 -9.922 5.565 -1.460 21 HD11 ILE 17 HD11 ILE 17 -7.496 8.136 0.765 22 HD12 ILE 17 HD12 ILE 17 -8.815 8.824 1.714 23 HD13 ILE 17 HD13 ILE 17 -8.289 9.617 0.226 24 H CYS 18 HN CYS 18 -9.045 4.704 3.042 25 HA CYS 18 HA CYS 18 -10.596 2.407 2.438 26 HB2 CYS 18 HB2 CYS 18 -8.461 2.907 4.528 27 HB3 CYS 18 HB1 CYS 18 -9.077 1.321 4.106 28 HG CYS 18 HG CYS 18 -7.937 1.133 1.680 29 H LEU 19 HN LEU 19 -10.190 4.458 5.230 30 HA LEU 19 HA LEU 19 -11.801 3.084 7.069 31 HB2 LEU 19 HB2 LEU 19 -10.078 4.989 7.273 32 HB3 LEU 19 HB1 LEU 19 -11.446 6.044 7.032 33 HG LEU 19 HG LEU 19 -11.204 4.023 9.265 34 HD11 LEU 19 HD11 LEU 19 -10.821 6.007 10.686 35 HD12 LEU 19 HD12 LEU 19 -10.713 6.994 9.227 36 HD13 LEU 19 HD13 LEU 19 -9.526 5.721 9.522 37 HD21 LEU 19 HD21 LEU 19 -13.505 4.570 8.628 38 HD22 LEU 19 HD22 LEU 19 -13.157 6.285 8.861 39 HD23 LEU 19 HD23 LEU 19 -13.100 5.178 10.235 40 H ARG 20 HN ARG 20 -12.491 5.748 4.840 41 HA ARG 20 HA ARG 20 -15.118 6.286 5.628 42 HB2 ARG 20 HB2 ARG 20 -13.916 7.834 4.262 43 HB3 ARG 20 HB1 ARG 20 -13.676 6.636 3.005 44 HG2 ARG 20 HG2 ARG 20 -16.064 6.634 2.532 45 HG3 ARG 20 HG1 ARG 20 -16.320 7.829 3.804 46 HD2 ARG 20 HD2 ARG 20 -16.226 8.764 1.485 47 HD3 ARG 20 HD1 ARG 20 -15.084 9.472 2.624 48 HE ARG 20 HE ARG 20 -13.336 8.566 1.436 49 HH11 ARG 20 HH11 ARG 20 -16.356 7.286 0.205 50 HH12 ARG 20 HH12 ARG 20 -15.646 6.663 -1.249 51 HH21 ARG 20 HH21 ARG 20 -12.407 7.768 -0.483 52 HH22 ARG 20 HH22 ARG 20 -13.392 6.932 -1.639 53 H LYS 21 HN LYS 21 -13.811 3.979 3.354 54 HA LYS 21 HA LYS 21 -16.289 3.297 2.133 55 HB2 LYS 21 HB2 LYS 21 -13.546 2.078 2.140 56 HB3 LYS 21 HB1 LYS 21 -14.889 1.332 1.274 57 HG2 LYS 21 HG2 LYS 21 -13.877 4.134 0.835 58 HG3 LYS 21 HG1 LYS 21 -13.488 2.736 -0.172 59 HD2 LYS 21 HD2 LYS 21 -16.330 3.481 0.352 60 HD3 LYS 21 HD1 LYS 21 -15.407 4.321 -0.880 61 HE2 LYS 21 HE2 LYS 21 -14.954 2.214 -2.003 62 HE3 LYS 21 HE1 LYS 21 -15.815 1.341 -0.738 63 HZ1 LYS 21 HZ1 LYS 21 -17.175 1.676 -2.717 64 HZ2 LYS 21 HZ2 LYS 21 -17.029 3.350 -2.554 65 HZ3 LYS 21 HZ3 LYS 21 -17.844 2.455 -1.375 66 H ASN 22 HN ASN 22 -15.296 2.759 5.146 67 HA ASN 22 HA ASN 22 -15.858 1.398 6.858 68 HB2 ASN 22 HB2 ASN 22 -18.164 1.769 5.959 69 HB3 ASN 22 HB1 ASN 22 -17.989 0.298 5.013 70 HD21 ASN 22 HD21 ASN 22 -18.266 1.614 8.239 71 HD22 ASN 22 HD22 ASN 22 -18.726 0.135 9.008 72 H TRP 23 HN TRP 23 -13.716 0.636 5.549 73 HA TRP 23 HA TRP 23 -13.919 -2.301 5.413 74 HB2 TRP 23 HB2 TRP 23 -11.825 -0.427 4.285 75 HB3 TRP 23 HB1 TRP 23 -11.713 -2.178 4.245 76 HD1 TRP 23 HD1 TRP 23 -14.944 -2.445 3.341 77 HE1 TRP 23 HE1 TRP 23 -15.436 -2.033 0.833 78 HE3 TRP 23 HE3 TRP 23 -10.726 0.133 2.120 79 HZ2 TRP 23 HZ2 TRP 23 -14.152 -0.798 -1.375 80 HZ3 TRP 23 HZ3 TRP 23 -10.420 0.884 -0.185 81 HH2 TRP 23 HH2 TRP 23 -12.101 0.439 -1.903 82 HA PRO 24 HA PRO 24 -10.970 -2.307 8.851 83 HB2 PRO 24 HB2 PRO 24 -9.543 -4.523 8.368 84 HB3 PRO 24 HB1 PRO 24 -11.228 -4.621 8.900 85 HG2 PRO 24 HG2 PRO 24 -10.093 -4.844 6.148 86 HG3 PRO 24 HG1 PRO 24 -11.319 -5.859 6.929 87 HD2 PRO 24 HD2 PRO 24 -11.939 -3.856 5.190 88 HD3 PRO 24 HD1 PRO 24 -13.012 -4.337 6.518 89 H MET 25 HN MET 25 -8.584 -2.119 9.159 90 HA MET 25 HA MET 25 -7.606 -0.352 7.147 91 HB2 MET 25 HB2 MET 25 -6.108 -1.338 9.564 92 HB3 MET 25 HB1 MET 25 -5.884 0.176 8.695 93 HG2 MET 25 HG2 MET 25 -8.251 -0.598 10.369 94 HG3 MET 25 HG1 MET 25 -7.024 0.572 10.780 95 HE1 MET 25 HE1 MET 25 -6.682 2.154 7.963 96 HE2 MET 25 HE2 MET 25 -6.687 2.789 9.605 97 HE3 MET 25 HE3 MET 25 -7.748 3.500 8.383 98 HA PRO 26 HA PRO 26 -5.760 -3.245 4.463 99 HB2 PRO 26 HB2 PRO 26 -3.620 -1.529 3.772 100 HB3 PRO 26 HB1 PRO 26 -5.125 -1.786 2.891 101 HG2 PRO 26 HG2 PRO 26 -4.347 0.414 4.682 102 HG3 PRO 26 HG1 PRO 26 -5.563 0.386 3.399 103 HD2 PRO 26 HD2 PRO 26 -6.184 0.425 6.039 104 HD3 PRO 26 HD1 PRO 26 -7.216 -0.333 4.812 105 H SER 27 HN SER 27 -3.867 -4.376 3.990 106 HA SER 27 HA SER 27 -2.146 -4.914 6.249 107 HB2 SER 27 HB2 SER 27 -3.039 -6.694 4.722 108 HB3 SER 27 HB1 SER 27 -2.068 -6.005 3.429 109 HG SER 27 HG SER 27 -1.253 -7.411 5.723 110 H TYR 28 HN TYR 28 0.119 -4.565 6.285 111 HA TYR 28 HA TYR 28 1.233 -2.981 4.136 112 HB2 TYR 28 HB2 TYR 28 1.040 -2.068 6.999 113 HB3 TYR 28 HB1 TYR 28 2.264 -1.444 5.905 114 HD1 TYR 28 HD2 TYR 28 -1.313 -1.462 6.724 115 HD2 TYR 28 HD1 TYR 28 1.660 0.071 4.099 116 HE1 TYR 28 HE2 TYR 28 -2.875 0.275 5.976 117 HE2 TYR 28 HE1 TYR 28 0.109 1.815 3.345 118 HH TYR 28 HH TYR 28 -2.352 2.165 3.230 119 H ARG 29 HN ARG 29 3.028 -4.141 3.608 120 HA ARG 29 HA ARG 29 4.844 -5.008 5.678 121 HB2 ARG 29 HB2 ARG 29 3.224 -6.868 5.496 122 HB3 ARG 29 HB1 ARG 29 3.576 -6.979 3.781 123 HG2 ARG 29 HG2 ARG 29 5.952 -7.474 4.384 124 HG3 ARG 29 HG1 ARG 29 5.430 -7.571 6.067 125 HD2 ARG 29 HD2 ARG 29 4.457 -9.267 3.781 126 HD3 ARG 29 HD1 ARG 29 5.510 -9.786 5.093 127 HE ARG 29 HE ARG 29 3.325 -8.921 6.407 128 HH11 ARG 29 HH11 ARG 29 3.743 -11.114 3.714 129 HH12 ARG 29 HH12 ARG 29 2.343 -12.061 4.102 130 HH21 ARG 29 HH21 ARG 29 1.478 -10.153 6.920 131 HH22 ARG 29 HH22 ARG 29 1.052 -11.514 5.928 132 H CYS 30 HN CYS 30 6.851 -4.591 4.953 133 HA CYS 30 HA CYS 30 7.314 -3.726 2.297 134 HB2 CYS 30 HB2 CYS 30 9.303 -4.517 4.433 135 HB3 CYS 30 HB1 CYS 30 9.686 -3.639 2.956 136 HG CYS 30 HG CYS 30 9.483 -2.127 5.520 137 H VAL 31 HN VAL 31 7.768 -4.835 0.533 138 HA VAL 31 HA VAL 31 7.925 -7.718 0.727 139 HB VAL 31 HB VAL 31 7.748 -7.716 -1.710 140 HG11 VAL 31 HG11 VAL 31 5.482 -6.755 -1.866 141 HG12 VAL 31 HG12 VAL 31 5.751 -5.939 -0.326 142 HG13 VAL 31 HG13 VAL 31 5.715 -7.701 -0.394 143 HG21 VAL 31 HG21 VAL 31 8.972 -5.672 -2.215 144 HG22 VAL 31 HG22 VAL 31 7.677 -4.714 -1.497 145 HG23 VAL 31 HG23 VAL 31 7.373 -5.655 -2.957 146 H LYS 32 HN LYS 32 9.949 -5.022 -0.241 147 HA LYS 32 HA LYS 32 12.257 -6.806 -0.118 148 HB2 LYS 32 HB2 LYS 32 11.564 -6.428 -2.526 149 HB3 LYS 32 HB1 LYS 32 11.936 -4.735 -2.284 150 HG2 LYS 32 HG2 LYS 32 13.810 -5.718 -3.315 151 HG3 LYS 32 HG1 LYS 32 14.228 -5.427 -1.637 152 HD2 LYS 32 HD2 LYS 32 13.795 -7.764 -1.102 153 HD3 LYS 32 HD1 LYS 32 13.345 -8.066 -2.781 154 HE2 LYS 32 HE2 LYS 32 15.609 -7.421 -3.483 155 HE3 LYS 32 HE1 LYS 32 16.049 -7.168 -1.795 156 HZ1 LYS 32 HZ1 LYS 32 15.236 -9.739 -3.035 157 HZ2 LYS 32 HZ2 LYS 32 15.540 -9.521 -1.388 158 HZ3 LYS 32 HZ3 LYS 32 16.788 -9.322 -2.512 159 H GLU 33 HN GLU 33 13.729 -5.958 1.189 160 HA GLU 33 HA GLU 33 14.263 -3.099 1.142 161 HB2 GLU 33 HB2 GLU 33 13.893 -2.672 3.422 162 HB3 GLU 33 HB1 GLU 33 12.499 -3.633 2.949 163 HG2 GLU 33 HG2 GLU 33 13.784 -5.642 3.815 164 HG3 GLU 33 HG1 GLU 33 14.898 -4.474 4.531 165 H GLY 34 HN GLY 34 16.347 -2.554 2.052 166 HA2 GLY 34 HA2 GLY 34 18.527 -2.937 2.641 167 HA3 GLY 34 HA1 GLY 34 18.000 -4.471 3.312 168 H GLY 35 HN GLY 35 20.226 -4.959 2.455 169 HA2 GLY 35 HA2 GLY 35 20.330 -6.804 0.523 170 HA3 GLY 35 HA1 GLY 35 20.408 -5.322 -0.419 171 HA PRO 36 HA PRO 36 24.793 -6.106 0.622 172 HB2 PRO 36 HB2 PRO 36 25.285 -4.762 -1.923 173 HB3 PRO 36 HB1 PRO 36 25.725 -6.395 -1.426 174 HG2 PRO 36 HG2 PRO 36 23.833 -5.904 -3.293 175 HG3 PRO 36 HG1 PRO 36 23.769 -7.306 -2.214 176 HD2 PRO 36 HD2 PRO 36 22.291 -4.709 -2.032 177 HD3 PRO 36 HD1 PRO 36 21.703 -6.360 -1.738 178 H ALA 37 HN ALA 37 23.478 -4.104 1.899 179 HA ALA 37 HA ALA 37 23.848 -2.159 2.987 180 HB1 ALA 37 HB1 ALA 37 26.438 -2.006 1.467 181 HB2 ALA 37 HB2 ALA 37 26.197 -2.843 2.999 182 HB3 ALA 37 HB3 ALA 37 26.011 -1.092 2.912 183 H HIS 38 HN HIS 38 25.021 -1.675 -0.350 184 HA HIS 38 HA HIS 38 23.970 1.000 -0.427 185 HB2 HIS 38 HB2 HIS 38 24.777 1.039 -2.748 186 HB3 HIS 38 HB1 HIS 38 26.015 0.449 -1.650 187 HD1 HIS 38 HD1 HIS 38 27.069 -1.746 -2.223 188 HD2 HIS 38 HD2 HIS 38 23.523 -1.106 -4.304 189 HE1 HIS 38 HE1 HIS 38 26.911 -3.620 -3.893 190 HE2 HIS 38 HE2 HIS 38 24.807 -3.164 -5.200 191 H ALA 39 HN ALA 39 22.173 -1.454 -0.148 192 HA ALA 39 HA ALA 39 20.306 -0.702 -2.295 193 HB1 ALA 39 HB1 ALA 39 19.461 -2.991 -2.301 194 HB2 ALA 39 HB2 ALA 39 20.645 -3.438 -1.075 195 HB3 ALA 39 HB3 ALA 39 21.182 -2.950 -2.682 196 H LYS 40 HN LYS 40 20.354 0.688 0.036 197 HA LYS 40 HA LYS 40 18.538 -0.459 1.961 198 HB2 LYS 40 HB2 LYS 40 20.522 1.425 2.122 199 HB3 LYS 40 HB1 LYS 40 19.062 2.397 2.161 200 HG2 LYS 40 HG2 LYS 40 19.766 1.880 4.402 201 HG3 LYS 40 HG1 LYS 40 18.236 1.082 4.049 202 HD2 LYS 40 HD2 LYS 40 19.281 -1.022 3.805 203 HD3 LYS 40 HD1 LYS 40 20.890 -0.299 3.744 204 HE2 LYS 40 HE2 LYS 40 20.439 -1.373 5.899 205 HE3 LYS 40 HE1 LYS 40 20.710 0.358 6.072 206 HZ1 LYS 40 HZ1 LYS 40 18.321 0.674 6.227 207 HZ2 LYS 40 HZ2 LYS 40 18.858 -0.397 7.419 208 HZ3 LYS 40 HZ3 LYS 40 18.065 -0.988 6.050 209 H ARG 41 HN ARG 41 17.796 0.252 -0.908 210 HA ARG 41 HA ARG 41 15.636 2.133 -0.493 211 HB2 ARG 41 HB2 ARG 41 15.048 1.000 -2.878 212 HB3 ARG 41 HB1 ARG 41 16.131 2.368 -2.692 213 HG2 ARG 41 HG2 ARG 41 18.049 0.988 -2.869 214 HG3 ARG 41 HG1 ARG 41 17.090 -0.481 -2.687 215 HD2 ARG 41 HD2 ARG 41 16.737 1.426 -4.988 216 HD3 ARG 41 HD1 ARG 41 17.866 0.072 -5.033 217 HE ARG 41 HE ARG 41 15.550 -1.108 -4.314 218 HH11 ARG 41 HH11 ARG 41 16.344 1.104 -6.901 219 HH12 ARG 41 HH12 ARG 41 15.205 0.417 -8.014 220 HH21 ARG 41 HH21 ARG 41 14.053 -2.032 -5.776 221 HH22 ARG 41 HH22 ARG 41 13.900 -1.369 -7.372 222 H PHE 42 HN PHE 42 13.569 1.614 -0.181 223 HA PHE 42 HA PHE 42 13.056 -1.223 0.387 224 HB2 PHE 42 HB2 PHE 42 11.635 1.115 1.662 225 HB3 PHE 42 HB1 PHE 42 11.646 -0.564 2.191 226 HD1 PHE 42 HD1 PHE 42 14.484 -1.249 2.177 227 HD2 PHE 42 HD2 PHE 42 12.563 2.362 3.350 228 HE1 PHE 42 HE1 PHE 42 16.367 -0.748 3.692 229 HE2 PHE 42 HE2 PHE 42 14.435 2.866 4.866 230 HZ PHE 42 HZ PHE 42 16.333 1.311 5.040 231 H THR 43 HN THR 43 11.394 -2.185 -0.533 232 HA THR 43 HA THR 43 9.514 -0.561 -2.121 233 HB THR 43 HB THR 43 10.432 -3.382 -2.769 234 HG1 THR 43 HG1 THR 43 12.033 -1.513 -2.937 235 HG21 THR 43 HG21 THR 43 9.439 -2.908 -4.963 236 HG22 THR 43 HG22 THR 43 8.940 -1.314 -4.397 237 HG23 THR 43 HG23 THR 43 8.243 -2.764 -3.675 238 H PHE 44 HN PHE 44 7.316 -0.967 -1.612 239 HA PHE 44 HA PHE 44 6.770 -3.325 -0.001 240 HB2 PHE 44 HB2 PHE 44 6.841 -1.958 1.826 241 HB3 PHE 44 HB1 PHE 44 6.740 -0.498 0.850 242 HD1 PHE 44 HD2 PHE 44 4.669 -3.291 2.153 243 HD2 PHE 44 HD1 PHE 44 4.817 0.738 0.820 244 HE1 PHE 44 HE2 PHE 44 2.315 -2.999 2.784 245 HE2 PHE 44 HE1 PHE 44 2.470 1.037 1.470 246 HZ PHE 44 HZ PHE 44 1.226 -0.828 2.458 247 H GLY 45 HN GLY 45 4.514 -3.929 -0.060 248 HA2 GLY 45 HA2 GLY 45 2.927 -2.513 -2.104 249 HA3 GLY 45 HA1 GLY 45 3.040 -4.267 -2.086 250 H VAL 46 HN VAL 46 0.778 -2.242 -1.652 251 HA VAL 46 HA VAL 46 -0.050 -3.050 1.070 252 HB VAL 46 HB VAL 46 -1.765 -1.167 -0.407 253 HG11 VAL 46 HG11 VAL 46 -0.635 -1.261 2.375 254 HG12 VAL 46 HG12 VAL 46 -2.262 -1.696 1.857 255 HG13 VAL 46 HG13 VAL 46 -1.735 -0.014 1.792 256 HG21 VAL 46 HG21 VAL 46 -0.340 0.784 0.039 257 HG22 VAL 46 HG22 VAL 46 0.333 -0.300 -1.177 258 HG23 VAL 46 HG23 VAL 46 0.980 -0.305 0.463 259 H ARG 47 HN ARG 47 -2.272 -3.776 1.356 260 HA ARG 47 HA ARG 47 -3.818 -4.282 -1.024 261 HB2 ARG 47 HB2 ARG 47 -4.277 -6.637 -0.259 262 HB3 ARG 47 HB1 ARG 47 -2.642 -6.380 -0.853 263 HG2 ARG 47 HG2 ARG 47 -1.899 -6.158 1.517 264 HG3 ARG 47 HG1 ARG 47 -3.529 -6.598 2.011 265 HD2 ARG 47 HD2 ARG 47 -3.318 -8.738 0.891 266 HD3 ARG 47 HD1 ARG 47 -1.711 -8.298 0.310 267 HE ARG 47 HE ARG 47 -1.392 -8.045 2.944 268 HH11 ARG 47 HH11 ARG 47 -2.853 -10.608 1.063 269 HH12 ARG 47 HH12 ARG 47 -2.472 -11.845 2.217 270 HH21 ARG 47 HH21 ARG 47 -0.894 -9.666 4.465 271 HH22 ARG 47 HH22 ARG 47 -1.344 -11.311 4.148 272 H VAL 48 HN VAL 48 -5.997 -4.237 -0.583 273 HA VAL 48 HA VAL 48 -6.713 -3.529 2.205 274 HB VAL 48 HB VAL 48 -8.025 -2.543 -0.323 275 HG11 VAL 48 HG11 VAL 48 -8.375 -1.728 2.552 276 HG12 VAL 48 HG12 VAL 48 -9.555 -2.554 1.532 277 HG13 VAL 48 HG13 VAL 48 -9.089 -0.892 1.173 278 HG21 VAL 48 HG21 VAL 48 -5.730 -1.681 -0.083 279 HG22 VAL 48 HG22 VAL 48 -6.171 -1.026 1.493 280 HG23 VAL 48 HG23 VAL 48 -6.953 -0.419 0.038 281 H ASN 49 HN ASN 49 -8.880 -4.141 2.896 282 HA ASN 49 HA ASN 49 -9.813 -6.550 1.526 283 HB2 ASN 49 HB2 ASN 49 -9.374 -6.618 4.008 284 HB3 ASN 49 HB1 ASN 49 -10.724 -5.504 4.212 285 HD21 ASN 49 HD21 ASN 49 -12.835 -6.233 3.805 286 HD22 ASN 49 HD22 ASN 49 -13.209 -7.920 3.697 287 H THR 50 HN THR 50 -10.695 -5.487 -0.135 288 HA THR 50 HA THR 50 -12.781 -3.526 0.116 289 HB THR 50 HB THR 50 -13.362 -4.042 -2.264 290 HG1 THR 50 HG1 THR 50 -11.212 -5.907 -1.973 291 HG21 THR 50 HG21 THR 50 -10.470 -3.491 -1.613 292 HG22 THR 50 HG22 THR 50 -11.768 -2.307 -1.765 293 HG23 THR 50 HG23 THR 50 -11.218 -3.202 -3.183 294 H SER 51 HN SER 51 -14.685 -3.846 0.954 295 HA SER 51 HA SER 51 -15.533 -6.250 1.980 296 HB2 SER 51 HB2 SER 51 -16.316 -4.035 2.729 297 HB3 SER 51 HB1 SER 51 -17.276 -3.888 1.259 298 HG SER 51 HG SER 51 -18.465 -5.716 1.924 299 H ASP 52 HN ASP 52 -16.067 -5.035 -1.251 300 HA ASP 52 HA ASP 52 -18.115 -7.080 -1.684 301 HB2 ASP 52 HB2 ASP 52 -18.764 -5.900 -3.635 302 HB3 ASP 52 HB1 ASP 52 -18.545 -4.707 -2.363 303 H ARG 53 HN ARG 53 -14.785 -6.845 -2.028 304 HA ARG 53 HA ARG 53 -14.852 -8.900 -4.141 305 HB2 ARG 53 HB2 ARG 53 -12.648 -6.864 -3.848 306 HB3 ARG 53 HB1 ARG 53 -12.845 -8.048 -5.130 307 HG2 ARG 53 HG2 ARG 53 -14.836 -6.896 -5.905 308 HG3 ARG 53 HG1 ARG 53 -14.657 -5.710 -4.608 309 HD2 ARG 53 HD2 ARG 53 -12.330 -5.277 -5.549 310 HD3 ARG 53 HD1 ARG 53 -12.858 -6.181 -6.967 311 HE ARG 53 HE ARG 53 -14.628 -4.043 -6.201 312 HH11 ARG 53 HH11 ARG 53 -11.830 -4.939 -8.099 313 HH12 ARG 53 HH12 ARG 53 -11.960 -3.576 -9.164 314 HH21 ARG 53 HH21 ARG 53 -14.802 -2.249 -7.588 315 HH22 ARG 53 HH22 ARG 53 -13.659 -2.047 -8.878 316 H GLY 54 HN GLY 54 -12.918 -7.430 -1.581 317 HA2 GLY 54 HA2 GLY 54 -12.098 -8.946 0.192 318 HA3 GLY 54 HA1 GLY 54 -11.640 -10.033 -1.100 319 H TRP 55 HN TRP 55 -9.514 -10.044 -0.289 320 HA TRP 55 HA TRP 55 -7.854 -7.840 -0.009 321 HB2 TRP 55 HB2 TRP 55 -7.403 -10.708 -0.647 322 HB3 TRP 55 HB1 TRP 55 -6.070 -9.598 -0.930 323 HD1 TRP 55 HD1 TRP 55 -6.799 -11.933 1.518 324 HE1 TRP 55 HE1 TRP 55 -6.049 -11.245 3.881 325 HE3 TRP 55 HE3 TRP 55 -6.320 -6.908 0.783 326 HZ2 TRP 55 HZ2 TRP 55 -5.339 -8.868 5.241 327 HZ3 TRP 55 HZ3 TRP 55 -5.610 -5.500 2.663 328 HH2 TRP 55 HH2 TRP 55 -5.140 -6.454 4.851 329 H THR 56 HN THR 56 -7.293 -6.316 -1.362 330 HA THR 56 HA THR 56 -7.720 -6.458 -4.177 331 HB THR 56 HB THR 56 -6.563 -4.271 -4.252 332 HG1 THR 56 HG1 THR 56 -5.061 -4.200 -2.717 333 HG21 THR 56 HG21 THR 56 -8.149 -3.033 -2.858 334 HG22 THR 56 HG22 THR 56 -8.561 -4.520 -2.005 335 HG23 THR 56 HG23 THR 56 -8.947 -4.351 -3.718 336 H ASP 57 HN ASP 57 -6.048 -6.164 -5.817 337 HA ASP 57 HA ASP 57 -3.845 -7.904 -5.555 338 HB2 ASP 57 HB2 ASP 57 -3.062 -7.001 -7.695 339 HB3 ASP 57 HB1 ASP 57 -4.783 -7.341 -7.754 340 H GLU 58 HN GLU 58 -1.822 -7.604 -4.897 341 HA GLU 58 HA GLU 58 -1.283 -5.596 -3.063 342 HB2 GLU 58 HB2 GLU 58 -0.140 -7.802 -3.154 343 HB3 GLU 58 HB1 GLU 58 0.763 -7.225 -4.542 344 HG2 GLU 58 HG2 GLU 58 1.886 -5.593 -3.253 345 HG3 GLU 58 HG1 GLU 58 0.828 -5.867 -1.870 346 H CYS 59 HN CYS 59 -0.891 -3.587 -3.319 347 HA CYS 59 HA CYS 59 -0.077 -2.553 -5.922 348 HB2 CYS 59 HB2 CYS 59 -0.966 -1.028 -3.464 349 HB3 CYS 59 HB1 CYS 59 -0.842 -0.409 -5.109 350 HG CYS 59 HG CYS 59 -2.858 -3.056 -4.887 351 H ILE 60 HN ILE 60 2.083 -2.846 -6.050 352 HA ILE 60 HA ILE 60 3.891 -2.241 -3.927 353 HB ILE 60 HB ILE 60 4.317 -2.757 -6.872 354 HG12 ILE 60 HG12 ILE 60 3.429 -4.644 -5.512 355 HG13 ILE 60 HG11 ILE 60 5.008 -4.961 -6.224 356 HG21 ILE 60 HG21 ILE 60 6.680 -3.064 -6.345 357 HG22 ILE 60 HG22 ILE 60 6.368 -2.530 -4.694 358 HG23 ILE 60 HG23 ILE 60 6.138 -1.416 -6.040 359 HD11 ILE 60 HD11 ILE 60 6.070 -4.484 -4.106 360 HD12 ILE 60 HD12 ILE 60 4.867 -5.763 -3.937 361 HD13 ILE 60 HD13 ILE 60 4.504 -4.128 -3.388 362 H GLY 61 HN GLY 61 4.577 -0.307 -3.358 363 HA2 GLY 61 HA2 GLY 61 4.111 2.006 -5.042 364 HA3 GLY 61 HA1 GLY 61 4.765 2.014 -3.410 365 H GLU 62 HN GLU 62 6.229 3.635 -4.405 366 HA GLU 62 HA GLU 62 8.208 2.573 -6.251 367 HB2 GLU 62 HB2 GLU 62 7.952 5.318 -5.011 368 HB3 GLU 62 HB1 GLU 62 9.069 4.869 -6.291 369 HG2 GLU 62 HG2 GLU 62 7.076 4.289 -7.695 370 HG3 GLU 62 HG1 GLU 62 6.072 5.006 -6.435 371 HA PRO 63 HA PRO 63 11.136 1.359 -3.114 372 HB2 PRO 63 HB2 PRO 63 13.102 2.343 -5.126 373 HB3 PRO 63 HB1 PRO 63 13.031 0.788 -4.291 374 HG2 PRO 63 HG2 PRO 63 12.307 0.990 -6.844 375 HG3 PRO 63 HG1 PRO 63 11.418 -0.059 -5.725 376 HD2 PRO 63 HD2 PRO 63 10.671 2.616 -6.815 377 HD3 PRO 63 HD1 PRO 63 9.643 1.214 -6.454 378 H MET 64 HN MET 64 11.450 2.620 -1.397 379 HA MET 64 HA MET 64 12.254 5.419 -1.823 380 HB2 MET 64 HB2 MET 64 10.426 4.126 0.184 381 HB3 MET 64 HB1 MET 64 11.129 5.711 0.467 382 HG2 MET 64 HG2 MET 64 9.409 4.968 -1.886 383 HG3 MET 64 HG1 MET 64 8.860 5.826 -0.447 384 HE1 MET 64 HE1 MET 64 8.245 7.046 -3.175 385 HE2 MET 64 HE2 MET 64 8.791 8.716 -3.018 386 HE3 MET 64 HE3 MET 64 7.947 7.935 -1.679 387 HA PRO 65 HA PRO 65 15.720 4.573 0.817 388 HB2 PRO 65 HB2 PRO 65 16.430 7.051 1.514 389 HB3 PRO 65 HB1 PRO 65 16.541 6.510 -0.166 390 HG2 PRO 65 HG2 PRO 65 14.420 8.166 1.152 391 HG3 PRO 65 HG1 PRO 65 15.204 8.404 -0.420 392 HD2 PRO 65 HD2 PRO 65 12.745 7.227 -0.105 393 HD3 PRO 65 HD1 PRO 65 13.834 6.895 -1.466 394 H SER 66 HN SER 66 12.771 5.222 2.059 395 HA SER 66 HA SER 66 13.649 4.795 4.768 396 HB2 SER 66 HB2 SER 66 13.710 7.254 4.626 397 HB3 SER 66 HB1 SER 66 12.056 7.267 4.017 398 HG SER 66 HG SER 66 12.974 6.502 6.591 399 H VAL 67 HN VAL 67 12.074 3.780 5.979 400 HA VAL 67 HA VAL 67 10.199 2.304 4.432 401 HB VAL 67 HB VAL 67 9.522 1.246 6.531 402 HG11 VAL 67 HG11 VAL 67 11.500 0.412 5.420 403 HG12 VAL 67 HG12 VAL 67 11.698 0.309 7.169 404 HG13 VAL 67 HG13 VAL 67 12.501 1.592 6.264 405 HG21 VAL 67 HG21 VAL 67 9.567 3.176 8.003 406 HG22 VAL 67 HG22 VAL 67 11.321 3.273 7.855 407 HG23 VAL 67 HG23 VAL 67 10.580 1.886 8.653 408 H LYS 68 HN LYS 68 9.959 5.272 6.150 409 HA LYS 68 HA LYS 68 7.179 5.044 6.817 410 HB2 LYS 68 HB2 LYS 68 8.956 7.489 6.728 411 HB3 LYS 68 HB1 LYS 68 7.378 7.387 7.496 412 HG2 LYS 68 HG2 LYS 68 9.829 5.834 8.302 413 HG3 LYS 68 HG1 LYS 68 9.182 7.251 9.130 414 HD2 LYS 68 HD2 LYS 68 7.120 6.033 9.612 415 HD3 LYS 68 HD1 LYS 68 7.747 4.622 8.758 416 HE2 LYS 68 HE2 LYS 68 8.010 4.346 11.157 417 HE3 LYS 68 HE1 LYS 68 9.581 4.465 10.370 418 HZ1 LYS 68 HZ1 LYS 68 8.192 6.669 11.793 419 HZ2 LYS 68 HZ2 LYS 68 9.706 6.775 11.048 420 HZ3 LYS 68 HZ3 LYS 68 9.496 5.776 12.392 421 H LYS 69 HN LYS 69 9.063 6.655 4.298 422 HA LYS 69 HA LYS 69 6.676 7.675 3.041 423 HB2 LYS 69 HB2 LYS 69 8.175 8.584 1.330 424 HB3 LYS 69 HB1 LYS 69 8.655 9.060 2.954 425 HG2 LYS 69 HG2 LYS 69 10.297 7.146 2.868 426 HG3 LYS 69 HG1 LYS 69 9.928 7.045 1.149 427 HD2 LYS 69 HD2 LYS 69 10.990 9.486 2.567 428 HD3 LYS 69 HD1 LYS 69 11.952 8.377 1.597 429 HE2 LYS 69 HE2 LYS 69 11.521 10.150 0.150 430 HE3 LYS 69 HE1 LYS 69 10.328 8.943 -0.307 431 HZ1 LYS 69 HZ1 LYS 69 9.773 11.220 1.515 432 HZ2 LYS 69 HZ2 LYS 69 8.644 10.140 0.869 433 HZ3 LYS 69 HZ3 LYS 69 9.445 11.228 -0.142 434 H ALA 70 HN ALA 70 8.596 4.841 2.918 435 HA ALA 70 HA ALA 70 8.022 3.864 0.384 436 HB1 ALA 70 HB1 ALA 70 8.353 1.641 1.324 437 HB2 ALA 70 HB2 ALA 70 8.204 2.298 2.954 438 HB3 ALA 70 HB3 ALA 70 9.565 2.768 1.937 439 H LYS 71 HN LYS 71 6.236 3.159 3.395 440 HA LYS 71 HA LYS 71 3.979 1.990 2.352 441 HB2 LYS 71 HB2 LYS 71 4.145 3.892 4.700 442 HB3 LYS 71 HB1 LYS 71 2.816 2.790 4.381 443 HG2 LYS 71 HG2 LYS 71 4.196 0.887 4.794 444 HG3 LYS 71 HG1 LYS 71 5.646 1.892 4.870 445 HD2 LYS 71 HD2 LYS 71 4.772 3.011 6.863 446 HD3 LYS 71 HD1 LYS 71 3.312 2.027 6.780 447 HE2 LYS 71 HE2 LYS 71 6.083 0.889 7.081 448 HE3 LYS 71 HE1 LYS 71 5.023 1.253 8.440 449 HZ1 LYS 71 HZ1 LYS 71 4.898 -1.073 7.806 450 HZ2 LYS 71 HZ2 LYS 71 4.411 -0.645 6.244 451 HZ3 LYS 71 HZ3 LYS 71 3.411 -0.304 7.565 452 H ASP 72 HN ASP 72 4.545 5.410 3.015 453 HA ASP 72 HA ASP 72 2.224 6.564 2.185 454 HB2 ASP 72 HB2 ASP 72 4.028 7.836 3.187 455 HB3 ASP 72 HB1 ASP 72 5.044 7.566 1.775 456 H SER 73 HN SER 73 5.007 5.800 0.071 457 HA SER 73 HA SER 73 3.959 6.846 -2.283 458 HB2 SER 73 HB2 SER 73 6.306 6.203 -2.027 459 HB3 SER 73 HB1 SER 73 5.844 4.507 -1.894 460 HG SER 73 HG SER 73 5.481 6.192 -4.154 461 H ALA 74 HN ALA 74 3.704 3.549 -0.965 462 HA ALA 74 HA ALA 74 2.374 2.501 -3.257 463 HB1 ALA 74 HB1 ALA 74 2.053 0.523 -1.948 464 HB2 ALA 74 HB2 ALA 74 2.348 1.407 -0.450 465 HB3 ALA 74 HB3 ALA 74 3.662 1.156 -1.603 466 H ALA 75 HN ALA 75 1.331 3.829 -0.198 467 HA ALA 75 HA ALA 75 -1.422 3.296 -0.347 468 HB1 ALA 75 HB1 ALA 75 -0.276 4.084 1.680 469 HB2 ALA 75 HB2 ALA 75 -1.691 5.062 1.290 470 HB3 ALA 75 HB3 ALA 75 -0.074 5.672 0.937 471 H VAL 76 HN VAL 76 0.492 5.839 -1.902 472 HA VAL 76 HA VAL 76 -1.649 7.473 -2.723 473 HB VAL 76 HB VAL 76 1.005 7.006 -4.110 474 HG11 VAL 76 HG11 VAL 76 0.630 9.191 -5.150 475 HG12 VAL 76 HG12 VAL 76 -0.961 9.277 -4.394 476 HG13 VAL 76 HG13 VAL 76 -0.625 8.035 -5.601 477 HG21 VAL 76 HG21 VAL 76 1.310 7.776 -1.828 478 HG22 VAL 76 HG22 VAL 76 0.189 9.107 -2.108 479 HG23 VAL 76 HG23 VAL 76 1.726 9.054 -2.969 480 H LEU 77 HN LEU 77 -0.200 4.570 -4.064 481 HA LEU 77 HA LEU 77 -1.671 4.687 -6.527 482 HB2 LEU 77 HB2 LEU 77 -0.151 2.408 -5.252 483 HB3 LEU 77 HB1 LEU 77 -0.750 2.439 -6.895 484 HG LEU 77 HG LEU 77 1.385 4.247 -5.766 485 HD11 LEU 77 HD11 LEU 77 1.552 2.000 -7.766 486 HD12 LEU 77 HD12 LEU 77 2.132 1.949 -6.102 487 HD13 LEU 77 HD13 LEU 77 2.879 3.046 -7.265 488 HD21 LEU 77 HD21 LEU 77 0.260 4.060 -8.559 489 HD22 LEU 77 HD22 LEU 77 1.659 5.019 -8.078 490 HD23 LEU 77 HD23 LEU 77 0.061 5.410 -7.443 491 H LEU 78 HN LEU 78 -2.036 3.276 -3.379 492 HA LEU 78 HA LEU 78 -4.200 1.560 -3.799 493 HB2 LEU 78 HB2 LEU 78 -2.937 2.953 -1.570 494 HB3 LEU 78 HB1 LEU 78 -4.643 2.732 -1.325 495 HG LEU 78 HG LEU 78 -2.498 0.661 -1.573 496 HD11 LEU 78 HD11 LEU 78 -3.014 1.556 0.625 497 HD12 LEU 78 HD12 LEU 78 -3.522 -0.128 0.504 498 HD13 LEU 78 HD13 LEU 78 -4.720 1.164 0.403 499 HD21 LEU 78 HD21 LEU 78 -4.323 -1.049 -1.567 500 HD22 LEU 78 HD22 LEU 78 -4.165 -0.165 -3.081 501 HD23 LEU 78 HD23 LEU 78 -5.462 0.242 -1.957 502 H LEU 79 HN LEU 79 -4.077 5.019 -3.105 503 HA LEU 79 HA LEU 79 -6.832 5.465 -2.905 504 HB2 LEU 79 HB2 LEU 79 -4.427 7.123 -3.311 505 HB3 LEU 79 HB1 LEU 79 -5.945 7.840 -3.811 506 HG LEU 79 HG LEU 79 -6.852 7.605 -1.574 507 HD11 LEU 79 HD11 LEU 79 -4.218 6.312 -0.892 508 HD12 LEU 79 HD12 LEU 79 -5.802 5.536 -0.900 509 HD13 LEU 79 HD13 LEU 79 -5.446 6.803 0.274 510 HD21 LEU 79 HD21 LEU 79 -5.374 9.137 -0.383 511 HD22 LEU 79 HD22 LEU 79 -5.563 9.607 -2.074 512 HD23 LEU 79 HD23 LEU 79 -4.088 8.800 -1.542 513 H GLU 80 HN GLU 80 -4.767 5.184 -5.731 514 HA GLU 80 HA GLU 80 -6.666 6.195 -7.585 515 HB2 GLU 80 HB2 GLU 80 -4.369 4.268 -7.977 516 HB3 GLU 80 HB1 GLU 80 -5.216 5.144 -9.257 517 HG2 GLU 80 HG2 GLU 80 -3.716 6.452 -7.004 518 HG3 GLU 80 HG1 GLU 80 -3.045 6.139 -8.598 519 H LEU 81 HN LEU 81 -5.826 2.982 -6.407 520 HA LEU 81 HA LEU 81 -7.506 1.465 -8.081 521 HB2 LEU 81 HB2 LEU 81 -5.584 0.707 -6.574 522 HB3 LEU 81 HB1 LEU 81 -6.727 0.797 -5.258 523 HG LEU 81 HG LEU 81 -7.164 -0.965 -7.656 524 HD11 LEU 81 HD11 LEU 81 -5.835 -1.623 -5.031 525 HD12 LEU 81 HD12 LEU 81 -5.075 -1.617 -6.624 526 HD13 LEU 81 HD13 LEU 81 -6.323 -2.804 -6.246 527 HD21 LEU 81 HD21 LEU 81 -8.316 -1.016 -4.865 528 HD22 LEU 81 HD22 LEU 81 -8.664 -2.177 -6.145 529 HD23 LEU 81 HD23 LEU 81 -9.159 -0.494 -6.323 530 H LEU 82 HN LEU 82 -7.885 2.705 -4.818 531 HA LEU 82 HA LEU 82 -10.510 1.843 -4.364 532 HB2 LEU 82 HB2 LEU 82 -8.613 3.753 -3.146 533 HB3 LEU 82 HB1 LEU 82 -10.303 3.944 -2.725 534 HG LEU 82 HG LEU 82 -10.398 1.934 -1.610 535 HD11 LEU 82 HD11 LEU 82 -8.678 0.150 -1.792 536 HD12 LEU 82 HD12 LEU 82 -7.944 1.059 -3.115 537 HD13 LEU 82 HD13 LEU 82 -9.585 0.428 -3.278 538 HD21 LEU 82 HD21 LEU 82 -8.958 3.527 -0.448 539 HD22 LEU 82 HD22 LEU 82 -7.548 2.830 -1.246 540 HD23 LEU 82 HD23 LEU 82 -8.486 1.862 -0.107 541 H ASN 83 HN ASN 83 -9.330 4.478 -6.246 542 HA ASN 83 HA ASN 83 -11.883 5.893 -6.113 543 HB2 ASN 83 HB2 ASN 83 -9.675 7.115 -6.079 544 HB3 ASN 83 HB1 ASN 83 -9.426 6.588 -7.737 545 HD21 ASN 83 HD21 ASN 83 -10.403 7.665 -9.366 546 HD22 ASN 83 HD22 ASN 83 -11.428 9.040 -9.140 547 H LYS 84 HN LYS 84 -10.594 3.335 -7.686 548 HA LYS 84 HA LYS 84 -12.219 3.766 -10.097 549 HB2 LYS 84 HB2 LYS 84 -9.811 1.989 -9.677 550 HB3 LYS 84 HB1 LYS 84 -10.781 2.014 -11.143 551 HG2 LYS 84 HG2 LYS 84 -10.040 4.120 -11.753 552 HG3 LYS 84 HG1 LYS 84 -9.530 4.521 -10.113 553 HD2 LYS 84 HD2 LYS 84 -7.594 4.114 -11.529 554 HD3 LYS 84 HD1 LYS 84 -7.717 2.873 -10.279 555 HE2 LYS 84 HE2 LYS 84 -8.730 1.346 -11.900 556 HE3 LYS 84 HE1 LYS 84 -8.618 2.587 -13.148 557 HZ1 LYS 84 HZ1 LYS 84 -6.797 1.031 -13.322 558 HZ2 LYS 84 HZ2 LYS 84 -6.331 1.335 -11.726 559 HZ3 LYS 84 HZ3 LYS 84 -6.206 2.555 -12.888 560 H THR 85 HN THR 85 -13.298 3.000 -7.655 561 HA THR 85 HA THR 85 -13.696 0.119 -7.783 562 HB THR 85 HB THR 85 -15.125 0.635 -5.674 563 HG1 THR 85 HG1 THR 85 -13.459 2.855 -5.324 564 HG21 THR 85 HG21 THR 85 -12.976 -0.527 -5.621 565 HG22 THR 85 HG22 THR 85 -13.118 0.587 -4.262 566 HG23 THR 85 HG23 THR 85 -12.129 1.019 -5.656 Start of MODEL 12 1 H1 ASN 15 HT1 ASN 15 -6.887 5.153 4.473 2 H2 ASN 15 HT2 ASN 15 -5.559 4.621 5.373 3 H3 ASN 15 HT3 ASN 15 -6.391 6.014 5.839 4 HA ASN 15 HA ASN 15 -7.501 3.272 5.803 5 HB2 ASN 15 HB2 ASN 15 -6.505 4.995 8.075 6 HB3 ASN 15 HB1 ASN 15 -7.539 3.593 8.314 7 HD21 ASN 15 HD21 ASN 15 -5.985 2.527 9.508 8 HD22 ASN 15 HD22 ASN 15 -4.575 1.835 8.778 9 H ASP 16 HN ASP 16 -8.136 6.637 5.697 10 HA ASP 16 HA ASP 16 -10.566 6.715 7.165 11 HB2 ASP 16 HB2 ASP 16 -9.691 8.489 4.870 12 HB3 ASP 16 HB1 ASP 16 -10.971 8.843 6.022 13 H ILE 17 HN ILE 17 -9.808 6.364 3.718 14 HA ILE 17 HA ILE 17 -12.450 6.232 2.804 15 HB ILE 17 HB ILE 17 -9.914 5.134 1.595 16 HG12 ILE 17 HG12 ILE 17 -10.377 7.027 -0.033 17 HG13 ILE 17 HG11 ILE 17 -11.617 7.570 1.086 18 HG21 ILE 17 HG21 ILE 17 -11.784 3.795 0.792 19 HG22 ILE 17 HG22 ILE 17 -11.162 4.835 -0.489 20 HG23 ILE 17 HG23 ILE 17 -12.656 5.262 0.344 21 HD11 ILE 17 HD11 ILE 17 -9.536 8.807 1.343 22 HD12 ILE 17 HD12 ILE 17 -8.697 7.305 1.736 23 HD13 ILE 17 HD13 ILE 17 -9.966 7.913 2.801 24 H CYS 18 HN CYS 18 -10.222 3.761 3.927 25 HA CYS 18 HA CYS 18 -11.828 1.513 3.352 26 HB2 CYS 18 HB2 CYS 18 -9.709 1.909 5.479 27 HB3 CYS 18 HB1 CYS 18 -10.351 0.354 4.970 28 HG CYS 18 HG CYS 18 -9.225 0.320 2.505 29 H LEU 19 HN LEU 19 -11.445 3.569 6.177 30 HA LEU 19 HA LEU 19 -13.119 2.193 7.960 31 HB2 LEU 19 HB2 LEU 19 -11.543 4.013 8.533 32 HB3 LEU 19 HB1 LEU 19 -12.614 5.156 7.763 33 HG LEU 19 HG LEU 19 -14.370 4.562 9.428 34 HD11 LEU 19 HD11 LEU 19 -12.122 3.018 10.706 35 HD12 LEU 19 HD12 LEU 19 -13.611 2.349 10.036 36 HD13 LEU 19 HD13 LEU 19 -13.671 3.383 11.463 37 HD21 LEU 19 HD21 LEU 19 -12.940 6.531 9.700 38 HD22 LEU 19 HD22 LEU 19 -11.767 5.554 10.580 39 HD23 LEU 19 HD23 LEU 19 -13.373 5.821 11.256 40 H ARG 20 HN ARG 20 -13.754 4.997 5.886 41 HA ARG 20 HA ARG 20 -16.456 5.340 6.319 42 HB2 ARG 20 HB2 ARG 20 -14.835 6.799 5.056 43 HB3 ARG 20 HB1 ARG 20 -14.992 5.693 3.701 44 HG2 ARG 20 HG2 ARG 20 -17.456 6.194 3.720 45 HG3 ARG 20 HG1 ARG 20 -17.099 7.478 4.881 46 HD2 ARG 20 HD2 ARG 20 -16.136 7.218 2.041 47 HD3 ARG 20 HD1 ARG 20 -17.129 8.497 2.737 48 HE ARG 20 HE ARG 20 -14.873 8.714 4.173 49 HH11 ARG 20 HH11 ARG 20 -15.426 8.490 0.727 50 HH12 ARG 20 HH12 ARG 20 -13.996 9.376 0.307 51 HH21 ARG 20 HH21 ARG 20 -12.981 9.868 3.628 52 HH22 ARG 20 HH22 ARG 20 -12.594 10.151 1.959 53 H LYS 21 HN LYS 21 -14.807 3.182 4.061 54 HA LYS 21 HA LYS 21 -17.174 2.339 2.700 55 HB2 LYS 21 HB2 LYS 21 -14.280 1.751 2.630 56 HB3 LYS 21 HB1 LYS 21 -15.346 0.479 2.041 57 HG2 LYS 21 HG2 LYS 21 -15.407 3.325 1.065 58 HG3 LYS 21 HG1 LYS 21 -14.528 2.010 0.275 59 HD2 LYS 21 HD2 LYS 21 -16.584 0.780 -0.033 60 HD3 LYS 21 HD1 LYS 21 -17.478 2.018 0.843 61 HE2 LYS 21 HE2 LYS 21 -15.932 2.582 -1.667 62 HE3 LYS 21 HE1 LYS 21 -17.626 2.103 -1.682 63 HZ1 LYS 21 HZ1 LYS 21 -18.166 4.043 -0.376 64 HZ2 LYS 21 HZ2 LYS 21 -17.338 4.513 -1.773 65 HZ3 LYS 21 HZ3 LYS 21 -16.537 4.487 -0.286 66 H ASN 22 HN ASN 22 -16.183 1.745 5.704 67 HA ASN 22 HA ASN 22 -16.777 0.290 7.337 68 HB2 ASN 22 HB2 ASN 22 -19.011 0.325 6.196 69 HB3 ASN 22 HB1 ASN 22 -18.505 -1.081 5.268 70 HD21 ASN 22 HD21 ASN 22 -20.101 -2.398 6.096 71 HD22 ASN 22 HD22 ASN 22 -20.098 -2.960 7.732 72 H TRP 23 HN TRP 23 -14.603 -0.126 5.402 73 HA TRP 23 HA TRP 23 -14.218 -3.025 5.416 74 HB2 TRP 23 HB2 TRP 23 -12.471 -0.764 4.424 75 HB3 TRP 23 HB1 TRP 23 -12.084 -2.471 4.277 76 HD1 TRP 23 HD1 TRP 23 -15.350 -3.016 3.393 77 HE1 TRP 23 HE1 TRP 23 -15.862 -2.591 0.894 78 HE3 TRP 23 HE3 TRP 23 -11.323 -0.138 2.246 79 HZ2 TRP 23 HZ2 TRP 23 -14.664 -1.211 -1.281 80 HZ3 TRP 23 HZ3 TRP 23 -11.072 0.705 -0.043 81 HH2 TRP 23 HH2 TRP 23 -12.713 0.183 -1.774 82 HA PRO 24 HA PRO 24 -11.417 -2.831 8.897 83 HB2 PRO 24 HB2 PRO 24 -9.673 -4.784 7.957 84 HB3 PRO 24 HB1 PRO 24 -11.027 -5.042 9.045 85 HG2 PRO 24 HG2 PRO 24 -10.726 -5.848 6.324 86 HG3 PRO 24 HG1 PRO 24 -12.076 -6.166 7.419 87 HD2 PRO 24 HD2 PRO 24 -11.922 -4.297 5.229 88 HD3 PRO 24 HD1 PRO 24 -13.320 -4.722 6.212 89 H MET 25 HN MET 25 -8.903 -2.867 9.161 90 HA MET 25 HA MET 25 -7.963 -0.702 7.528 91 HB2 MET 25 HB2 MET 25 -6.605 -2.205 9.766 92 HB3 MET 25 HB1 MET 25 -6.085 -0.664 9.086 93 HG2 MET 25 HG2 MET 25 -8.737 -1.132 10.419 94 HG3 MET 25 HG1 MET 25 -7.326 -0.460 11.215 95 HE1 MET 25 HE1 MET 25 -10.283 0.811 10.967 96 HE2 MET 25 HE2 MET 25 -9.960 2.510 10.625 97 HE3 MET 25 HE3 MET 25 -9.037 1.670 11.874 98 HA PRO 26 HA PRO 26 -5.972 -3.140 4.513 99 HB2 PRO 26 HB2 PRO 26 -3.939 -1.092 4.164 100 HB3 PRO 26 HB1 PRO 26 -5.220 -1.586 3.060 101 HG2 PRO 26 HG2 PRO 26 -5.218 0.808 4.343 102 HG3 PRO 26 HG1 PRO 26 -6.700 -0.040 3.870 103 HD2 PRO 26 HD2 PRO 26 -5.411 0.182 6.549 104 HD3 PRO 26 HD1 PRO 26 -7.132 0.139 6.117 105 H SER 27 HN SER 27 -4.077 -4.249 3.991 106 HA SER 27 HA SER 27 -2.354 -4.820 6.239 107 HB2 SER 27 HB2 SER 27 -3.239 -6.579 4.674 108 HB3 SER 27 HB1 SER 27 -2.219 -5.888 3.415 109 HG SER 27 HG SER 27 -1.463 -7.221 5.788 110 H TYR 28 HN TYR 28 -0.100 -4.444 6.300 111 HA TYR 28 HA TYR 28 1.007 -2.875 4.134 112 HB2 TYR 28 HB2 TYR 28 0.878 -2.010 7.017 113 HB3 TYR 28 HB1 TYR 28 2.130 -1.413 5.934 114 HD1 TYR 28 HD2 TYR 28 -1.460 -1.321 6.726 115 HD2 TYR 28 HD1 TYR 28 1.598 0.127 4.137 116 HE1 TYR 28 HE2 TYR 28 -2.976 0.452 5.926 117 HE2 TYR 28 HE1 TYR 28 0.099 1.891 3.333 118 HH TYR 28 HH TYR 28 -2.336 2.289 3.159 119 H ARG 29 HN ARG 29 2.731 -4.060 3.510 120 HA ARG 29 HA ARG 29 4.425 -5.317 5.517 121 HB2 ARG 29 HB2 ARG 29 3.072 -6.803 3.274 122 HB3 ARG 29 HB1 ARG 29 4.379 -7.457 4.240 123 HG2 ARG 29 HG2 ARG 29 2.981 -7.318 6.234 124 HG3 ARG 29 HG1 ARG 29 1.665 -6.652 5.261 125 HD2 ARG 29 HD2 ARG 29 1.436 -9.083 5.680 126 HD3 ARG 29 HD1 ARG 29 1.533 -8.677 3.966 127 HE ARG 29 HE ARG 29 4.020 -9.423 5.290 128 HH11 ARG 29 HH11 ARG 29 1.346 -10.398 3.243 129 HH12 ARG 29 HH12 ARG 29 2.194 -11.746 2.561 130 HH21 ARG 29 HH21 ARG 29 5.139 -11.194 4.401 131 HH22 ARG 29 HH22 ARG 29 4.359 -12.202 3.227 132 H CYS 30 HN CYS 30 6.478 -4.889 5.005 133 HA CYS 30 HA CYS 30 7.177 -3.752 2.487 134 HB2 CYS 30 HB2 CYS 30 8.289 -3.192 4.663 135 HB3 CYS 30 HB1 CYS 30 9.030 -4.788 4.637 136 HG CYS 30 HG CYS 30 10.477 -2.246 3.671 137 H VAL 31 HN VAL 31 7.647 -4.788 0.673 138 HA VAL 31 HA VAL 31 7.846 -7.677 0.744 139 HB VAL 31 HB VAL 31 7.699 -7.585 -1.688 140 HG11 VAL 31 HG11 VAL 31 5.657 -7.653 -0.388 141 HG12 VAL 31 HG12 VAL 31 5.418 -6.679 -1.838 142 HG13 VAL 31 HG13 VAL 31 5.651 -5.894 -0.275 143 HG21 VAL 31 HG21 VAL 31 8.884 -5.502 -2.105 144 HG22 VAL 31 HG22 VAL 31 7.563 -4.596 -1.366 145 HG23 VAL 31 HG23 VAL 31 7.292 -5.488 -2.861 146 H LYS 32 HN LYS 32 9.854 -4.914 -0.073 147 HA LYS 32 HA LYS 32 12.148 -6.725 -0.163 148 HB2 LYS 32 HB2 LYS 32 11.597 -6.183 -2.486 149 HB3 LYS 32 HB1 LYS 32 11.631 -4.480 -2.098 150 HG2 LYS 32 HG2 LYS 32 13.656 -5.268 -3.245 151 HG3 LYS 32 HG1 LYS 32 13.957 -4.545 -1.680 152 HD2 LYS 32 HD2 LYS 32 14.112 -6.794 -0.692 153 HD3 LYS 32 HD1 LYS 32 13.871 -7.491 -2.295 154 HE2 LYS 32 HE2 LYS 32 15.917 -6.502 -3.086 155 HE3 LYS 32 HE1 LYS 32 16.127 -5.628 -1.570 156 HZ1 LYS 32 HZ1 LYS 32 16.157 -8.580 -1.866 157 HZ2 LYS 32 HZ2 LYS 32 16.391 -7.731 -0.426 158 HZ3 LYS 32 HZ3 LYS 32 17.520 -7.601 -1.676 159 H GLU 33 HN GLU 33 13.605 -6.141 1.188 160 HA GLU 33 HA GLU 33 14.350 -3.383 1.605 161 HB2 GLU 33 HB2 GLU 33 12.604 -3.601 3.282 162 HB3 GLU 33 HB1 GLU 33 13.321 -5.087 3.886 163 HG2 GLU 33 HG2 GLU 33 15.286 -3.845 4.625 164 HG3 GLU 33 HG1 GLU 33 14.578 -2.354 4.008 165 H GLY 34 HN GLY 34 16.526 -3.287 1.743 166 HA2 GLY 34 HA2 GLY 34 18.612 -3.862 2.649 167 HA3 GLY 34 HA1 GLY 34 17.940 -5.402 3.157 168 H GLY 35 HN GLY 35 20.297 -5.656 2.180 169 HA2 GLY 35 HA2 GLY 35 20.435 -7.453 0.243 170 HA3 GLY 35 HA1 GLY 35 20.247 -5.988 -0.712 171 HA PRO 36 HA PRO 36 24.819 -6.596 -0.372 172 HB2 PRO 36 HB2 PRO 36 24.470 -4.636 -2.601 173 HB3 PRO 36 HB1 PRO 36 25.546 -6.031 -2.495 174 HG2 PRO 36 HG2 PRO 36 23.354 -6.170 -3.959 175 HG3 PRO 36 HG1 PRO 36 23.838 -7.546 -2.950 176 HD2 PRO 36 HD2 PRO 36 21.698 -5.514 -2.482 177 HD3 PRO 36 HD1 PRO 36 21.693 -7.253 -2.131 178 H ALA 37 HN ALA 37 23.857 -3.403 -1.563 179 HA ALA 37 HA ALA 37 24.205 -2.112 0.970 180 HB1 ALA 37 HB1 ALA 37 26.240 -1.478 -1.164 181 HB2 ALA 37 HB2 ALA 37 26.565 -2.455 0.267 182 HB3 ALA 37 HB3 ALA 37 26.118 -0.757 0.438 183 H HIS 38 HN HIS 38 24.148 -1.722 -2.542 184 HA HIS 38 HA HIS 38 22.838 0.830 -2.438 185 HB2 HIS 38 HB2 HIS 38 22.625 0.573 -4.887 186 HB3 HIS 38 HB1 HIS 38 24.269 0.284 -4.334 187 HD1 HIS 38 HD1 HIS 38 25.292 -1.957 -4.855 188 HD2 HIS 38 HD2 HIS 38 21.218 -1.824 -5.681 189 HE1 HIS 38 HE1 HIS 38 24.768 -4.118 -6.027 190 HE2 HIS 38 HE2 HIS 38 22.340 -3.933 -6.675 191 H ALA 39 HN ALA 39 21.628 -1.812 -1.317 192 HA ALA 39 HA ALA 39 19.070 -1.635 -2.750 193 HB1 ALA 39 HB1 ALA 39 20.167 -3.786 -3.063 194 HB2 ALA 39 HB2 ALA 39 18.674 -3.964 -2.138 195 HB3 ALA 39 HB3 ALA 39 20.235 -4.014 -1.316 196 H LYS 40 HN LYS 40 20.045 -0.049 -0.466 197 HA LYS 40 HA LYS 40 18.261 -0.909 1.670 198 HB2 LYS 40 HB2 LYS 40 20.646 0.359 1.815 199 HB3 LYS 40 HB1 LYS 40 19.556 1.737 1.836 200 HG2 LYS 40 HG2 LYS 40 20.093 1.053 4.088 201 HG3 LYS 40 HG1 LYS 40 18.380 0.799 3.751 202 HD2 LYS 40 HD2 LYS 40 18.816 -1.581 3.350 203 HD3 LYS 40 HD1 LYS 40 20.527 -1.324 3.692 204 HE2 LYS 40 HE2 LYS 40 19.949 -0.603 5.964 205 HE3 LYS 40 HE1 LYS 40 18.245 -0.882 5.613 206 HZ1 LYS 40 HZ1 LYS 40 18.703 -3.219 5.314 207 HZ2 LYS 40 HZ2 LYS 40 19.265 -2.726 6.827 208 HZ3 LYS 40 HZ3 LYS 40 20.357 -2.970 5.560 209 H ARG 41 HN ARG 41 17.724 0.218 -1.126 210 HA ARG 41 HA ARG 41 15.701 2.188 -0.448 211 HB2 ARG 41 HB2 ARG 41 14.979 1.858 -2.856 212 HB3 ARG 41 HB1 ARG 41 16.587 2.507 -2.626 213 HG2 ARG 41 HG2 ARG 41 17.298 -0.010 -2.822 214 HG3 ARG 41 HG1 ARG 41 15.740 -0.163 -3.632 215 HD2 ARG 41 HD2 ARG 41 18.077 1.564 -4.413 216 HD3 ARG 41 HD1 ARG 41 17.367 0.230 -5.318 217 HE ARG 41 HE ARG 41 15.761 2.631 -4.792 218 HH11 ARG 41 HH11 ARG 41 17.448 0.575 -7.070 219 HH12 ARG 41 HH12 ARG 41 16.723 1.312 -8.459 220 HH21 ARG 41 HH21 ARG 41 14.810 3.600 -6.623 221 HH22 ARG 41 HH22 ARG 41 15.201 3.012 -8.209 222 H PHE 42 HN PHE 42 13.545 1.750 -0.208 223 HA PHE 42 HA PHE 42 13.060 -1.102 0.331 224 HB2 PHE 42 HB2 PHE 42 11.669 1.211 1.681 225 HB3 PHE 42 HB1 PHE 42 11.721 -0.471 2.197 226 HD1 PHE 42 HD1 PHE 42 14.462 -1.221 2.211 227 HD2 PHE 42 HD2 PHE 42 12.748 2.552 3.182 228 HE1 PHE 42 HE1 PHE 42 16.409 -0.702 3.632 229 HE2 PHE 42 HE2 PHE 42 14.681 3.066 4.608 230 HZ PHE 42 HZ PHE 42 16.511 1.438 4.838 231 H THR 43 HN THR 43 11.297 -2.064 -0.409 232 HA THR 43 HA THR 43 9.351 -0.442 -1.912 233 HB THR 43 HB THR 43 10.290 -3.205 -2.724 234 HG1 THR 43 HG1 THR 43 11.500 -0.787 -3.021 235 HG21 THR 43 HG21 THR 43 9.258 -2.581 -4.878 236 HG22 THR 43 HG22 THR 43 8.730 -1.055 -4.171 237 HG23 THR 43 HG23 THR 43 8.090 -2.580 -3.559 238 H PHE 44 HN PHE 44 7.183 -0.961 -1.477 239 HA PHE 44 HA PHE 44 6.674 -3.335 0.122 240 HB2 PHE 44 HB2 PHE 44 6.675 -2.039 1.989 241 HB3 PHE 44 HB1 PHE 44 6.730 -0.557 1.047 242 HD1 PHE 44 HD2 PHE 44 4.425 -3.199 2.219 243 HD2 PHE 44 HD1 PHE 44 4.886 0.828 0.958 244 HE1 PHE 44 HE2 PHE 44 2.115 -2.720 2.894 245 HE2 PHE 44 HE1 PHE 44 2.586 1.313 1.648 246 HZ PHE 44 HZ PHE 44 1.143 -0.478 2.419 247 H GLY 45 HN GLY 45 4.402 -3.949 0.065 248 HA2 GLY 45 HA2 GLY 45 2.846 -2.539 -2.015 249 HA3 GLY 45 HA1 GLY 45 2.925 -4.293 -1.952 250 H VAL 46 HN VAL 46 0.672 -2.259 -1.641 251 HA VAL 46 HA VAL 46 -0.236 -2.937 1.091 252 HB VAL 46 HB VAL 46 -1.834 -1.037 -0.495 253 HG11 VAL 46 HG11 VAL 46 -2.432 -1.447 1.759 254 HG12 VAL 46 HG12 VAL 46 -1.788 0.195 1.675 255 HG13 VAL 46 HG13 VAL 46 -0.795 -1.109 2.320 256 HG21 VAL 46 HG21 VAL 46 -0.341 0.872 -0.085 257 HG22 VAL 46 HG22 VAL 46 0.329 -0.287 -1.233 258 HG23 VAL 46 HG23 VAL 46 0.919 -0.251 0.428 259 H ARG 47 HN ARG 47 -2.468 -3.667 1.343 260 HA ARG 47 HA ARG 47 -4.015 -4.081 -1.065 261 HB2 ARG 47 HB2 ARG 47 -4.608 -6.423 -0.242 262 HB3 ARG 47 HB1 ARG 47 -3.014 -6.241 -0.961 263 HG2 ARG 47 HG2 ARG 47 -2.100 -6.058 1.346 264 HG3 ARG 47 HG1 ARG 47 -3.700 -6.443 1.956 265 HD2 ARG 47 HD2 ARG 47 -2.368 -8.449 1.910 266 HD3 ARG 47 HD1 ARG 47 -3.640 -8.561 0.694 267 HE ARG 47 HE ARG 47 -0.954 -7.697 -0.112 268 HH11 ARG 47 HH11 ARG 47 -3.491 -10.095 -0.171 269 HH12 ARG 47 HH12 ARG 47 -2.811 -10.975 -1.499 270 HH21 ARG 47 HH21 ARG 47 -0.007 -8.880 -1.832 271 HH22 ARG 47 HH22 ARG 47 -0.845 -10.271 -2.464 272 H VAL 48 HN VAL 48 -6.242 -4.142 -0.629 273 HA VAL 48 HA VAL 48 -6.986 -3.514 2.166 274 HB VAL 48 HB VAL 48 -8.120 -2.333 -0.369 275 HG11 VAL 48 HG11 VAL 48 -8.939 -1.863 2.493 276 HG12 VAL 48 HG12 VAL 48 -9.904 -2.648 1.240 277 HG13 VAL 48 HG13 VAL 48 -9.508 -0.935 1.105 278 HG21 VAL 48 HG21 VAL 48 -7.205 -0.253 0.349 279 HG22 VAL 48 HG22 VAL 48 -5.915 -1.457 0.415 280 HG23 VAL 48 HG23 VAL 48 -6.718 -0.942 1.896 281 H ASN 49 HN ASN 49 -9.107 -4.185 2.832 282 HA ASN 49 HA ASN 49 -9.964 -6.615 1.447 283 HB2 ASN 49 HB2 ASN 49 -9.474 -6.824 3.840 284 HB3 ASN 49 HB1 ASN 49 -10.649 -5.568 4.204 285 HD21 ASN 49 HD21 ASN 49 -10.214 -8.863 3.144 286 HD22 ASN 49 HD22 ASN 49 -11.836 -9.375 3.445 287 H THR 50 HN THR 50 -11.012 -5.707 -0.172 288 HA THR 50 HA THR 50 -13.213 -3.869 0.154 289 HB THR 50 HB THR 50 -13.862 -4.430 -2.200 290 HG1 THR 50 HG1 THR 50 -11.479 -6.012 -2.128 291 HG21 THR 50 HG21 THR 50 -12.386 -2.570 -1.740 292 HG22 THR 50 HG22 THR 50 -11.866 -3.391 -3.213 293 HG23 THR 50 HG23 THR 50 -10.992 -3.647 -1.701 294 H SER 51 HN SER 51 -15.037 -4.326 1.075 295 HA SER 51 HA SER 51 -15.727 -6.764 2.128 296 HB2 SER 51 HB2 SER 51 -16.600 -4.573 2.869 297 HB3 SER 51 HB1 SER 51 -17.620 -4.512 1.435 298 HG SER 51 HG SER 51 -18.264 -6.762 2.407 299 H ASP 52 HN ASP 52 -16.348 -5.666 -1.110 300 HA ASP 52 HA ASP 52 -18.223 -7.912 -1.461 301 HB2 ASP 52 HB2 ASP 52 -19.348 -6.725 -3.161 302 HB3 ASP 52 HB1 ASP 52 -19.103 -5.573 -1.857 303 H ARG 53 HN ARG 53 -15.080 -7.517 -1.840 304 HA ARG 53 HA ARG 53 -15.045 -9.187 -4.231 305 HB2 ARG 53 HB2 ARG 53 -14.753 -6.766 -4.880 306 HB3 ARG 53 HB1 ARG 53 -13.255 -6.771 -3.968 307 HG2 ARG 53 HG2 ARG 53 -12.338 -8.452 -5.444 308 HG3 ARG 53 HG1 ARG 53 -13.857 -8.513 -6.341 309 HD2 ARG 53 HD2 ARG 53 -12.074 -6.108 -6.024 310 HD3 ARG 53 HD1 ARG 53 -12.234 -7.090 -7.483 311 HE ARG 53 HE ARG 53 -14.634 -6.360 -7.470 312 HH11 ARG 53 HH11 ARG 53 -12.128 -4.371 -6.032 313 HH12 ARG 53 HH12 ARG 53 -13.052 -2.905 -6.156 314 HH21 ARG 53 HH21 ARG 53 -15.829 -4.419 -7.644 315 HH22 ARG 53 HH22 ARG 53 -15.141 -2.934 -7.065 316 H GLY 54 HN GLY 54 -13.000 -7.587 -1.794 317 HA2 GLY 54 HA2 GLY 54 -12.089 -9.169 -0.090 318 HA3 GLY 54 HA1 GLY 54 -11.561 -10.134 -1.456 319 H TRP 55 HN TRP 55 -9.487 -9.935 -0.310 320 HA TRP 55 HA TRP 55 -7.997 -7.623 -0.101 321 HB2 TRP 55 HB2 TRP 55 -7.271 -10.473 -0.636 322 HB3 TRP 55 HB1 TRP 55 -6.025 -9.242 -0.778 323 HD1 TRP 55 HD1 TRP 55 -7.090 -11.610 1.652 324 HE1 TRP 55 HE1 TRP 55 -6.586 -10.858 4.065 325 HE3 TRP 55 HE3 TRP 55 -6.272 -6.641 0.809 326 HZ2 TRP 55 HZ2 TRP 55 -5.934 -8.463 5.409 327 HZ3 TRP 55 HZ3 TRP 55 -5.729 -5.196 2.706 328 HH2 TRP 55 HH2 TRP 55 -5.561 -6.076 4.963 329 H THR 56 HN THR 56 -7.489 -6.133 -1.480 330 HA THR 56 HA THR 56 -8.013 -6.350 -4.263 331 HB THR 56 HB THR 56 -7.037 -4.066 -4.394 332 HG1 THR 56 HG1 THR 56 -5.579 -3.765 -2.859 333 HG21 THR 56 HG21 THR 56 -9.402 -4.355 -3.880 334 HG22 THR 56 HG22 THR 56 -8.742 -2.979 -2.997 335 HG23 THR 56 HG23 THR 56 -9.024 -4.506 -2.164 336 H ASP 57 HN ASP 57 -6.287 -5.353 -5.807 337 HA ASP 57 HA ASP 57 -4.101 -7.113 -6.031 338 HB2 ASP 57 HB2 ASP 57 -4.543 -4.402 -7.298 339 HB3 ASP 57 HB1 ASP 57 -3.268 -5.521 -7.759 340 H GLU 58 HN GLU 58 -2.073 -6.998 -5.307 341 HA GLU 58 HA GLU 58 -1.438 -5.284 -3.177 342 HB2 GLU 58 HB2 GLU 58 -0.493 -7.570 -3.588 343 HB3 GLU 58 HB1 GLU 58 0.500 -6.852 -4.842 344 HG2 GLU 58 HG2 GLU 58 1.639 -5.481 -3.244 345 HG3 GLU 58 HG1 GLU 58 0.557 -6.019 -1.958 346 H CYS 59 HN CYS 59 -1.017 -3.263 -3.322 347 HA CYS 59 HA CYS 59 -0.087 -2.092 -5.815 348 HB2 CYS 59 HB2 CYS 59 -0.906 -0.759 -3.223 349 HB3 CYS 59 HB1 CYS 59 -0.585 0.060 -4.749 350 HG CYS 59 HG CYS 59 -2.977 -2.337 -4.726 351 H ILE 60 HN ILE 60 2.019 -2.538 -6.015 352 HA ILE 60 HA ILE 60 3.882 -2.240 -3.839 353 HB ILE 60 HB ILE 60 4.225 -2.852 -6.778 354 HG12 ILE 60 HG12 ILE 60 3.180 -4.601 -5.343 355 HG13 ILE 60 HG11 ILE 60 4.697 -5.096 -6.085 356 HG21 ILE 60 HG21 ILE 60 6.189 -1.674 -5.996 357 HG22 ILE 60 HG22 ILE 60 6.554 -3.371 -6.303 358 HG23 ILE 60 HG23 ILE 60 6.339 -2.801 -4.649 359 HD11 ILE 60 HD11 ILE 60 4.530 -5.817 -3.768 360 HD12 ILE 60 HD12 ILE 60 4.375 -4.135 -3.264 361 HD13 ILE 60 HD13 ILE 60 5.864 -4.694 -4.015 362 H GLY 61 HN GLY 61 4.812 -0.400 -3.301 363 HA2 GLY 61 HA2 GLY 61 4.483 1.952 -4.952 364 HA3 GLY 61 HA1 GLY 61 5.200 1.890 -3.349 365 H GLU 62 HN GLU 62 6.658 3.433 -4.557 366 HA GLU 62 HA GLU 62 8.557 2.180 -6.359 367 HB2 GLU 62 HB2 GLU 62 8.459 4.980 -5.220 368 HB3 GLU 62 HB1 GLU 62 9.537 4.426 -6.495 369 HG2 GLU 62 HG2 GLU 62 7.567 3.935 -7.893 370 HG3 GLU 62 HG1 GLU 62 6.538 4.600 -6.629 371 HA PRO 63 HA PRO 63 11.680 1.237 -3.301 372 HB2 PRO 63 HB2 PRO 63 13.578 2.423 -5.251 373 HB3 PRO 63 HB1 PRO 63 13.589 0.821 -4.506 374 HG2 PRO 63 HG2 PRO 63 12.900 1.154 -7.069 375 HG3 PRO 63 HG1 PRO 63 12.101 -0.051 -6.043 376 HD2 PRO 63 HD2 PRO 63 11.116 2.616 -6.950 377 HD3 PRO 63 HD1 PRO 63 10.222 1.104 -6.708 378 H MET 64 HN MET 64 11.748 2.563 -1.580 379 HA MET 64 HA MET 64 12.375 5.400 -2.030 380 HB2 MET 64 HB2 MET 64 10.665 4.158 0.124 381 HB3 MET 64 HB1 MET 64 11.024 5.872 -0.033 382 HG2 MET 64 HG2 MET 64 9.477 4.177 -1.977 383 HG3 MET 64 HG1 MET 64 8.831 5.395 -0.887 384 HE1 MET 64 HE1 MET 64 10.812 7.770 -1.045 385 HE2 MET 64 HE2 MET 64 9.062 7.954 -1.193 386 HE3 MET 64 HE3 MET 64 10.132 8.717 -2.369 387 HA PRO 65 HA PRO 65 15.858 4.687 0.571 388 HB2 PRO 65 HB2 PRO 65 16.563 7.226 1.100 389 HB3 PRO 65 HB1 PRO 65 16.729 6.522 -0.512 390 HG2 PRO 65 HG2 PRO 65 14.597 8.323 0.560 391 HG3 PRO 65 HG1 PRO 65 15.412 8.372 -1.012 392 HD2 PRO 65 HD2 PRO 65 12.933 7.286 -0.614 393 HD3 PRO 65 HD1 PRO 65 14.039 6.772 -1.905 394 H SER 66 HN SER 66 12.953 5.322 1.854 395 HA SER 66 HA SER 66 13.950 5.005 4.532 396 HB2 SER 66 HB2 SER 66 13.957 7.418 4.465 397 HB3 SER 66 HB1 SER 66 12.354 7.452 3.739 398 HG SER 66 HG SER 66 13.078 6.702 6.372 399 H VAL 67 HN VAL 67 12.419 4.085 5.901 400 HA VAL 67 HA VAL 67 10.510 2.474 4.508 401 HB VAL 67 HB VAL 67 10.021 1.457 6.670 402 HG11 VAL 67 HG11 VAL 67 12.965 1.934 6.253 403 HG12 VAL 67 HG12 VAL 67 11.984 0.698 5.465 404 HG13 VAL 67 HG13 VAL 67 12.260 0.630 7.205 405 HG21 VAL 67 HG21 VAL 67 11.150 2.210 8.710 406 HG22 VAL 67 HG22 VAL 67 10.068 3.448 8.071 407 HG23 VAL 67 HG23 VAL 67 11.809 3.588 7.832 408 H LYS 68 HN LYS 68 10.348 5.475 6.156 409 HA LYS 68 HA LYS 68 7.606 5.312 6.956 410 HB2 LYS 68 HB2 LYS 68 9.395 7.725 6.597 411 HB3 LYS 68 HB1 LYS 68 7.844 7.715 7.427 412 HG2 LYS 68 HG2 LYS 68 8.712 6.267 9.139 413 HG3 LYS 68 HG1 LYS 68 10.239 6.098 8.271 414 HD2 LYS 68 HD2 LYS 68 10.655 8.496 8.551 415 HD3 LYS 68 HD1 LYS 68 9.129 8.657 9.423 416 HE2 LYS 68 HE2 LYS 68 9.931 7.179 11.163 417 HE3 LYS 68 HE1 LYS 68 11.428 6.904 10.276 418 HZ1 LYS 68 HZ1 LYS 68 11.987 9.227 10.545 419 HZ2 LYS 68 HZ2 LYS 68 11.703 8.523 12.055 420 HZ3 LYS 68 HZ3 LYS 68 10.533 9.521 11.357 421 H LYS 69 HN LYS 69 9.352 6.817 4.283 422 HA LYS 69 HA LYS 69 6.909 7.809 3.112 423 HB2 LYS 69 HB2 LYS 69 8.435 8.564 1.242 424 HB3 LYS 69 HB1 LYS 69 8.714 9.278 2.822 425 HG2 LYS 69 HG2 LYS 69 10.589 7.804 3.187 426 HG3 LYS 69 HG1 LYS 69 10.294 7.011 1.641 427 HD2 LYS 69 HD2 LYS 69 12.100 8.627 1.422 428 HD3 LYS 69 HD1 LYS 69 10.700 9.146 0.485 429 HE2 LYS 69 HE2 LYS 69 10.063 10.605 2.423 430 HE3 LYS 69 HE1 LYS 69 11.607 10.194 3.162 431 HZ1 LYS 69 HZ1 LYS 69 11.217 11.569 0.560 432 HZ2 LYS 69 HZ2 LYS 69 12.714 11.128 1.209 433 HZ3 LYS 69 HZ3 LYS 69 11.762 12.280 1.995 434 H ALA 70 HN ALA 70 8.796 4.969 2.949 435 HA ALA 70 HA ALA 70 8.174 3.991 0.421 436 HB1 ALA 70 HB1 ALA 70 9.736 2.890 1.955 437 HB2 ALA 70 HB2 ALA 70 8.508 1.768 1.368 438 HB3 ALA 70 HB3 ALA 70 8.388 2.433 2.996 439 H LYS 71 HN LYS 71 6.413 3.370 3.463 440 HA LYS 71 HA LYS 71 4.177 2.130 2.442 441 HB2 LYS 71 HB2 LYS 71 4.215 4.060 4.766 442 HB3 LYS 71 HB1 LYS 71 3.023 2.803 4.469 443 HG2 LYS 71 HG2 LYS 71 4.817 1.111 4.719 444 HG3 LYS 71 HG1 LYS 71 5.930 2.412 5.151 445 HD2 LYS 71 HD2 LYS 71 4.352 3.014 7.006 446 HD3 LYS 71 HD1 LYS 71 3.453 1.546 6.631 447 HE2 LYS 71 HE2 LYS 71 4.960 1.111 8.460 448 HE3 LYS 71 HE1 LYS 71 5.497 0.227 7.033 449 HZ1 LYS 71 HZ1 LYS 71 6.632 2.793 8.007 450 HZ2 LYS 71 HZ2 LYS 71 7.153 1.946 6.637 451 HZ3 LYS 71 HZ3 LYS 71 7.347 1.271 8.173 452 H ASP 72 HN ASP 72 4.685 5.610 2.988 453 HA ASP 72 HA ASP 72 2.267 6.590 2.136 454 HB2 ASP 72 HB2 ASP 72 5.034 7.741 1.860 455 HB3 ASP 72 HB1 ASP 72 3.609 8.618 1.317 456 H SER 73 HN SER 73 5.102 5.855 0.065 457 HA SER 73 HA SER 73 4.016 6.868 -2.293 458 HB2 SER 73 HB2 SER 73 6.412 6.334 -1.948 459 HB3 SER 73 HB1 SER 73 6.015 4.616 -1.971 460 HG SER 73 HG SER 73 5.491 6.420 -4.104 461 H ALA 74 HN ALA 74 3.911 3.564 -0.965 462 HA ALA 74 HA ALA 74 2.608 2.435 -3.234 463 HB1 ALA 74 HB1 ALA 74 2.533 1.416 -0.396 464 HB2 ALA 74 HB2 ALA 74 3.877 1.148 -1.511 465 HB3 ALA 74 HB3 ALA 74 2.282 0.492 -1.880 466 H ALA 75 HN ALA 75 1.502 3.676 -0.155 467 HA ALA 75 HA ALA 75 -1.215 3.186 -0.279 468 HB1 ALA 75 HB1 ALA 75 -1.504 5.082 1.221 469 HB2 ALA 75 HB2 ALA 75 0.120 5.650 0.834 470 HB3 ALA 75 HB3 ALA 75 -0.101 4.120 1.683 471 H VAL 76 HN VAL 76 0.616 5.783 -1.883 472 HA VAL 76 HA VAL 76 -1.598 7.330 -2.696 473 HB VAL 76 HB VAL 76 1.096 7.073 -4.052 474 HG11 VAL 76 HG11 VAL 76 -0.539 8.089 -5.527 475 HG12 VAL 76 HG12 VAL 76 0.603 9.308 -4.961 476 HG13 VAL 76 HG13 VAL 76 -1.013 9.221 -4.260 477 HG21 VAL 76 HG21 VAL 76 1.711 9.072 -2.794 478 HG22 VAL 76 HG22 VAL 76 1.303 7.738 -1.716 479 HG23 VAL 76 HG23 VAL 76 0.148 9.044 -1.977 480 H LEU 77 HN LEU 77 0.019 4.552 -4.115 481 HA LEU 77 HA LEU 77 -1.400 4.650 -6.608 482 HB2 LEU 77 HB2 LEU 77 0.109 2.381 -5.298 483 HB3 LEU 77 HB1 LEU 77 -0.432 2.419 -6.961 484 HG LEU 77 HG LEU 77 1.603 4.300 -5.773 485 HD11 LEU 77 HD11 LEU 77 1.970 1.931 -7.599 486 HD12 LEU 77 HD12 LEU 77 2.441 2.014 -5.903 487 HD13 LEU 77 HD13 LEU 77 3.231 3.052 -7.089 488 HD21 LEU 77 HD21 LEU 77 2.014 4.929 -8.106 489 HD22 LEU 77 HD22 LEU 77 0.365 5.302 -7.607 490 HD23 LEU 77 HD23 LEU 77 0.684 3.890 -8.615 491 H LEU 78 HN LEU 78 -1.726 3.126 -3.516 492 HA LEU 78 HA LEU 78 -3.840 1.358 -4.063 493 HB2 LEU 78 HB2 LEU 78 -2.484 1.184 -2.086 494 HB3 LEU 78 HB1 LEU 78 -2.968 2.781 -1.568 495 HG LEU 78 HG LEU 78 -5.313 1.900 -1.356 496 HD11 LEU 78 HD11 LEU 78 -5.624 -0.490 -1.235 497 HD12 LEU 78 HD12 LEU 78 -3.921 -0.763 -1.596 498 HD13 LEU 78 HD13 LEU 78 -4.980 -0.062 -2.819 499 HD21 LEU 78 HD21 LEU 78 -3.651 2.227 0.503 500 HD22 LEU 78 HD22 LEU 78 -3.268 0.511 0.365 501 HD23 LEU 78 HD23 LEU 78 -4.897 1.016 0.819 502 H LEU 79 HN LEU 79 -3.750 4.730 -3.018 503 HA LEU 79 HA LEU 79 -6.484 5.152 -2.651 504 HB2 LEU 79 HB2 LEU 79 -4.129 6.839 -3.176 505 HB3 LEU 79 HB1 LEU 79 -5.667 7.548 -3.613 506 HG LEU 79 HG LEU 79 -6.472 7.232 -1.311 507 HD11 LEU 79 HD11 LEU 79 -3.686 6.211 -0.790 508 HD12 LEU 79 HD12 LEU 79 -5.184 5.285 -0.681 509 HD13 LEU 79 HD13 LEU 79 -4.878 6.605 0.448 510 HD21 LEU 79 HD21 LEU 79 -5.068 8.932 -0.264 511 HD22 LEU 79 HD22 LEU 79 -5.416 9.334 -1.945 512 HD23 LEU 79 HD23 LEU 79 -3.837 8.683 -1.502 513 H GLU 80 HN GLU 80 -4.587 4.958 -5.583 514 HA GLU 80 HA GLU 80 -6.562 5.992 -7.345 515 HB2 GLU 80 HB2 GLU 80 -4.283 4.066 -7.840 516 HB3 GLU 80 HB1 GLU 80 -5.199 4.914 -9.090 517 HG2 GLU 80 HG2 GLU 80 -3.662 6.326 -6.933 518 HG3 GLU 80 HG1 GLU 80 -2.968 5.895 -8.489 519 H LEU 81 HN LEU 81 -5.769 2.801 -6.110 520 HA LEU 81 HA LEU 81 -7.506 1.282 -7.723 521 HB2 LEU 81 HB2 LEU 81 -5.577 0.711 -5.941 522 HB3 LEU 81 HB1 LEU 81 -6.982 0.461 -4.930 523 HG LEU 81 HG LEU 81 -6.526 -0.920 -7.559 524 HD11 LEU 81 HD11 LEU 81 -5.953 -2.888 -6.234 525 HD12 LEU 81 HD12 LEU 81 -6.102 -1.939 -4.755 526 HD13 LEU 81 HD13 LEU 81 -4.833 -1.562 -5.919 527 HD21 LEU 81 HD21 LEU 81 -8.315 -2.410 -6.810 528 HD22 LEU 81 HD22 LEU 81 -8.882 -0.744 -6.918 529 HD23 LEU 81 HD23 LEU 81 -8.508 -1.448 -5.345 530 H LEU 82 HN LEU 82 -7.831 2.524 -4.421 531 HA LEU 82 HA LEU 82 -10.518 1.779 -4.060 532 HB2 LEU 82 HB2 LEU 82 -8.461 3.292 -2.652 533 HB3 LEU 82 HB1 LEU 82 -10.086 3.882 -2.355 534 HG LEU 82 HG LEU 82 -10.776 1.834 -1.444 535 HD11 LEU 82 HD11 LEU 82 -9.353 -0.175 -1.376 536 HD12 LEU 82 HD12 LEU 82 -8.195 0.646 -2.428 537 HD13 LEU 82 HD13 LEU 82 -9.821 0.286 -3.011 538 HD21 LEU 82 HD21 LEU 82 -9.459 3.175 0.080 539 HD22 LEU 82 HD22 LEU 82 -7.978 2.413 -0.498 540 HD23 LEU 82 HD23 LEU 82 -9.171 1.462 0.387 541 H ASN 83 HN ASN 83 -9.207 4.208 -5.979 542 HA ASN 83 HA ASN 83 -11.534 5.951 -5.703 543 HB2 ASN 83 HB2 ASN 83 -9.238 6.933 -5.862 544 HB3 ASN 83 HB1 ASN 83 -9.115 6.283 -7.491 545 HD21 ASN 83 HD21 ASN 83 -10.103 7.328 -9.151 546 HD22 ASN 83 HD22 ASN 83 -10.937 8.830 -8.977 547 H LYS 84 HN LYS 84 -10.606 3.253 -7.382 548 HA LYS 84 HA LYS 84 -12.478 3.847 -9.565 549 HB2 LYS 84 HB2 LYS 84 -9.881 2.322 -9.696 550 HB3 LYS 84 HB1 LYS 84 -11.095 2.264 -10.965 551 HG2 LYS 84 HG2 LYS 84 -9.836 4.809 -10.000 552 HG3 LYS 84 HG1 LYS 84 -9.204 3.864 -11.348 553 HD2 LYS 84 HD2 LYS 84 -11.968 5.069 -11.177 554 HD3 LYS 84 HD1 LYS 84 -10.618 5.730 -12.099 555 HE2 LYS 84 HE2 LYS 84 -11.961 3.065 -12.547 556 HE3 LYS 84 HE1 LYS 84 -12.127 4.500 -13.554 557 HZ1 LYS 84 HZ1 LYS 84 -10.566 2.936 -14.511 558 HZ2 LYS 84 HZ2 LYS 84 -9.613 2.979 -13.116 559 HZ3 LYS 84 HZ3 LYS 84 -9.771 4.360 -14.075 560 H THR 85 HN THR 85 -13.301 2.783 -7.194 561 HA THR 85 HA THR 85 -14.299 0.226 -8.090 562 HB THR 85 HB THR 85 -12.274 -0.368 -6.805 563 HG1 THR 85 HG1 THR 85 -14.519 -1.150 -5.260 564 HG21 THR 85 HG21 THR 85 -13.707 0.868 -4.460 565 HG22 THR 85 HG22 THR 85 -12.251 1.496 -5.230 566 HG23 THR 85 HG23 THR 85 -12.205 -0.054 -4.388 Start of MODEL 13 1 H1 ASN 15 HT1 ASN 15 -4.156 3.777 3.865 2 H2 ASN 15 HT2 ASN 15 -4.636 5.214 4.611 3 H3 ASN 15 HT3 ASN 15 -5.476 4.648 3.258 4 HA ASN 15 HA ASN 15 -6.189 2.702 4.494 5 HB2 ASN 15 HB2 ASN 15 -5.822 2.631 6.930 6 HB3 ASN 15 HB1 ASN 15 -4.303 2.577 6.046 7 HD21 ASN 15 HD21 ASN 15 -4.773 3.345 8.791 8 HD22 ASN 15 HD22 ASN 15 -4.215 4.977 8.951 9 H ASP 16 HN ASP 16 -6.310 6.126 4.727 10 HA ASP 16 HA ASP 16 -8.452 6.376 6.581 11 HB2 ASP 16 HB2 ASP 16 -7.425 8.271 4.461 12 HB3 ASP 16 HB1 ASP 16 -8.646 8.695 5.656 13 H ILE 17 HN ILE 17 -8.290 6.210 3.055 14 HA ILE 17 HA ILE 17 -11.028 6.594 2.555 15 HB ILE 17 HB ILE 17 -8.936 5.106 0.966 16 HG12 ILE 17 HG12 ILE 17 -9.328 7.093 -0.578 17 HG13 ILE 17 HG11 ILE 17 -10.234 7.812 0.744 18 HG21 ILE 17 HG21 ILE 17 -11.101 4.124 0.451 19 HG22 ILE 17 HG22 ILE 17 -10.523 5.090 -0.907 20 HG23 ILE 17 HG23 ILE 17 -11.776 5.728 0.158 21 HD11 ILE 17 HD11 ILE 17 -7.347 7.005 0.865 22 HD12 ILE 17 HD12 ILE 17 -8.278 7.793 2.140 23 HD13 ILE 17 HD13 ILE 17 -7.952 8.645 0.630 24 H CYS 18 HN CYS 18 -9.099 3.697 2.949 25 HA CYS 18 HA CYS 18 -11.005 1.725 2.619 26 HB2 CYS 18 HB2 CYS 18 -8.776 1.565 4.639 27 HB3 CYS 18 HB1 CYS 18 -9.426 0.277 3.631 28 HG CYS 18 HG CYS 18 -8.253 1.041 1.308 29 H LEU 19 HN LEU 19 -10.115 3.558 5.467 30 HA LEU 19 HA LEU 19 -11.677 2.241 7.386 31 HB2 LEU 19 HB2 LEU 19 -9.891 3.831 7.872 32 HB3 LEU 19 HB1 LEU 19 -10.835 5.123 7.181 33 HG LEU 19 HG LEU 19 -12.508 4.854 8.973 34 HD11 LEU 19 HD11 LEU 19 -12.174 2.495 9.467 35 HD12 LEU 19 HD12 LEU 19 -11.978 3.473 10.922 36 HD13 LEU 19 HD13 LEU 19 -10.560 2.842 10.087 37 HD21 LEU 19 HD21 LEU 19 -9.675 5.253 9.916 38 HD22 LEU 19 HD22 LEU 19 -11.123 5.760 10.785 39 HD23 LEU 19 HD23 LEU 19 -10.730 6.483 9.225 40 H ARG 20 HN ARG 20 -12.299 5.191 5.524 41 HA ARG 20 HA ARG 20 -14.899 5.662 6.473 42 HB2 ARG 20 HB2 ARG 20 -13.315 7.206 5.142 43 HB3 ARG 20 HB1 ARG 20 -14.000 6.435 3.715 44 HG2 ARG 20 HG2 ARG 20 -15.226 8.426 4.075 45 HG3 ARG 20 HG1 ARG 20 -16.260 7.083 4.572 46 HD2 ARG 20 HD2 ARG 20 -15.631 7.459 6.904 47 HD3 ARG 20 HD1 ARG 20 -14.609 8.805 6.412 48 HE ARG 20 HE ARG 20 -17.350 9.084 5.594 49 HH11 ARG 20 HH11 ARG 20 -15.055 9.590 8.182 50 HH12 ARG 20 HH12 ARG 20 -15.985 10.842 8.940 51 HH21 ARG 20 HH21 ARG 20 -18.595 10.725 6.599 52 HH22 ARG 20 HH22 ARG 20 -18.001 11.485 8.041 53 H LYS 21 HN LYS 21 -13.708 3.596 3.947 54 HA LYS 21 HA LYS 21 -16.196 3.081 2.666 55 HB2 LYS 21 HB2 LYS 21 -13.500 1.785 2.644 56 HB3 LYS 21 HB1 LYS 21 -14.862 1.054 1.801 57 HG2 LYS 21 HG2 LYS 21 -13.746 3.809 1.332 58 HG3 LYS 21 HG1 LYS 21 -13.546 2.400 0.288 59 HD2 LYS 21 HD2 LYS 21 -16.188 3.647 0.998 60 HD3 LYS 21 HD1 LYS 21 -15.308 3.947 -0.481 61 HE2 LYS 21 HE2 LYS 21 -15.441 1.553 -1.027 62 HE3 LYS 21 HE1 LYS 21 -16.373 1.291 0.445 63 HZ1 LYS 21 HZ1 LYS 21 -17.185 3.006 -1.834 64 HZ2 LYS 21 HZ2 LYS 21 -18.080 2.757 -0.425 65 HZ3 LYS 21 HZ3 LYS 21 -17.802 1.471 -1.487 66 H ASN 22 HN ASN 22 -15.335 2.389 5.677 67 HA ASN 22 HA ASN 22 -16.061 1.007 7.312 68 HB2 ASN 22 HB2 ASN 22 -18.262 1.503 6.118 69 HB3 ASN 22 HB1 ASN 22 -18.082 -0.059 5.340 70 HD21 ASN 22 HD21 ASN 22 -18.495 -1.911 6.502 71 HD22 ASN 22 HD22 ASN 22 -19.157 -1.900 8.099 72 H TRP 23 HN TRP 23 -13.933 0.209 5.669 73 HA TRP 23 HA TRP 23 -14.226 -2.712 5.568 74 HB2 TRP 23 HB2 TRP 23 -12.096 -0.881 4.429 75 HB3 TRP 23 HB1 TRP 23 -12.041 -2.635 4.342 76 HD1 TRP 23 HD1 TRP 23 -15.263 -2.865 3.571 77 HE1 TRP 23 HE1 TRP 23 -15.902 -2.361 1.121 78 HE3 TRP 23 HE3 TRP 23 -11.143 -0.174 2.186 79 HZ2 TRP 23 HZ2 TRP 23 -14.791 -1.022 -1.098 80 HZ3 TRP 23 HZ3 TRP 23 -11.014 0.679 -0.109 81 HH2 TRP 23 HH2 TRP 23 -12.793 0.263 -1.717 82 HA PRO 24 HA PRO 24 -11.495 -3.176 9.090 83 HB2 PRO 24 HB2 PRO 24 -10.002 -5.314 8.305 84 HB3 PRO 24 HB1 PRO 24 -11.641 -5.448 8.944 85 HG2 PRO 24 HG2 PRO 24 -10.699 -5.504 6.118 86 HG3 PRO 24 HG1 PRO 24 -11.954 -6.478 6.903 87 HD2 PRO 24 HD2 PRO 24 -12.532 -4.359 5.321 88 HD3 PRO 24 HD1 PRO 24 -13.543 -4.821 6.702 89 H MET 25 HN MET 25 -8.977 -3.555 9.453 90 HA MET 25 HA MET 25 -7.766 -1.312 8.197 91 HB2 MET 25 HB2 MET 25 -6.618 -3.394 10.049 92 HB3 MET 25 HB1 MET 25 -5.836 -1.882 9.611 93 HG2 MET 25 HG2 MET 25 -8.529 -1.954 10.922 94 HG3 MET 25 HG1 MET 25 -7.038 -1.999 11.849 95 HE1 MET 25 HE1 MET 25 -8.693 0.151 8.846 96 HE2 MET 25 HE2 MET 25 -8.927 1.624 9.779 97 HE3 MET 25 HE3 MET 25 -9.713 0.127 10.281 98 HA PRO 26 HA PRO 26 -6.127 -3.435 4.662 99 HB2 PRO 26 HB2 PRO 26 -4.258 -1.169 4.539 100 HB3 PRO 26 HB1 PRO 26 -5.437 -1.718 3.347 101 HG2 PRO 26 HG2 PRO 26 -5.794 0.536 4.768 102 HG3 PRO 26 HG1 PRO 26 -7.148 -0.495 4.272 103 HD2 PRO 26 HD2 PRO 26 -5.838 -0.235 6.941 104 HD3 PRO 26 HD1 PRO 26 -7.548 -0.487 6.536 105 H SER 27 HN SER 27 -4.145 -4.342 3.975 106 HA SER 27 HA SER 27 -2.379 -4.999 6.189 107 HB2 SER 27 HB2 SER 27 -3.329 -6.716 4.581 108 HB3 SER 27 HB1 SER 27 -2.279 -6.020 3.355 109 HG SER 27 HG SER 27 -1.611 -7.464 5.673 110 H TYR 28 HN TYR 28 -0.197 -4.516 6.256 111 HA TYR 28 HA TYR 28 0.926 -2.984 4.065 112 HB2 TYR 28 HB2 TYR 28 0.793 -2.063 6.938 113 HB3 TYR 28 HB1 TYR 28 1.990 -1.443 5.812 114 HD1 TYR 28 HD2 TYR 28 -1.610 -1.543 6.617 115 HD2 TYR 28 HD1 TYR 28 1.393 0.149 4.125 116 HE1 TYR 28 HE2 TYR 28 -3.215 0.155 5.846 117 HE2 TYR 28 HE1 TYR 28 -0.194 1.848 3.338 118 HH TYR 28 HH TYR 28 -2.497 2.289 3.196 119 H ARG 29 HN ARG 29 2.699 -4.160 3.518 120 HA ARG 29 HA ARG 29 4.261 -5.430 5.641 121 HB2 ARG 29 HB2 ARG 29 2.741 -7.138 4.854 122 HB3 ARG 29 HB1 ARG 29 3.154 -6.780 3.186 123 HG2 ARG 29 HG2 ARG 29 5.479 -7.511 3.667 124 HG3 ARG 29 HG1 ARG 29 4.936 -8.012 5.267 125 HD2 ARG 29 HD2 ARG 29 3.903 -9.041 2.636 126 HD3 ARG 29 HD1 ARG 29 4.987 -9.897 3.726 127 HE ARG 29 HE ARG 29 2.947 -9.532 5.343 128 HH11 ARG 29 HH11 ARG 29 2.887 -10.389 1.952 129 HH12 ARG 29 HH12 ARG 29 1.443 -11.343 2.088 130 HH21 ARG 29 HH21 ARG 29 1.021 -10.766 5.519 131 HH22 ARG 29 HH22 ARG 29 0.395 -11.565 4.111 132 H CYS 30 HN CYS 30 6.299 -4.751 5.410 133 HA CYS 30 HA CYS 30 7.316 -3.521 3.097 134 HB2 CYS 30 HB2 CYS 30 8.780 -4.786 5.418 135 HB3 CYS 30 HB1 CYS 30 9.534 -3.770 4.194 136 HG CYS 30 HG CYS 30 7.491 -2.882 6.750 137 H VAL 31 HN VAL 31 7.843 -4.392 1.226 138 HA VAL 31 HA VAL 31 8.007 -7.280 1.009 139 HB VAL 31 HB VAL 31 7.986 -5.154 -1.143 140 HG11 VAL 31 HG11 VAL 31 7.553 -6.990 -2.698 141 HG12 VAL 31 HG12 VAL 31 7.729 -8.151 -1.383 142 HG13 VAL 31 HG13 VAL 31 9.111 -7.185 -1.897 143 HG21 VAL 31 HG21 VAL 31 5.901 -5.268 0.119 144 HG22 VAL 31 HG22 VAL 31 5.805 -7.003 -0.183 145 HG23 VAL 31 HG23 VAL 31 5.682 -5.865 -1.526 146 H LYS 32 HN LYS 32 10.047 -4.419 0.388 147 HA LYS 32 HA LYS 32 12.350 -6.219 0.341 148 HB2 LYS 32 HB2 LYS 32 11.659 -5.711 -2.007 149 HB3 LYS 32 HB1 LYS 32 11.975 -4.018 -1.682 150 HG2 LYS 32 HG2 LYS 32 13.872 -4.886 -2.804 151 HG3 LYS 32 HG1 LYS 32 14.328 -4.658 -1.117 152 HD2 LYS 32 HD2 LYS 32 13.976 -7.037 -0.694 153 HD3 LYS 32 HD1 LYS 32 13.486 -7.270 -2.372 154 HE2 LYS 32 HE2 LYS 32 15.769 -7.966 -2.139 155 HE3 LYS 32 HE1 LYS 32 15.727 -6.477 -3.081 156 HZ1 LYS 32 HZ1 LYS 32 16.393 -6.698 -0.199 157 HZ2 LYS 32 HZ2 LYS 32 16.319 -5.251 -1.066 158 HZ3 LYS 32 HZ3 LYS 32 17.489 -6.409 -1.452 159 H GLU 33 HN GLU 33 13.889 -5.526 1.572 160 HA GLU 33 HA GLU 33 14.006 -2.704 2.382 161 HB2 GLU 33 HB2 GLU 33 13.995 -4.601 4.087 162 HB3 GLU 33 HB1 GLU 33 15.606 -5.001 3.520 163 HG2 GLU 33 HG2 GLU 33 15.090 -2.216 4.404 164 HG3 GLU 33 HG1 GLU 33 15.193 -3.475 5.630 165 H GLY 34 HN GLY 34 16.198 -1.615 2.354 166 HA2 GLY 34 HA2 GLY 34 17.210 -1.950 -0.279 167 HA3 GLY 34 HA1 GLY 34 17.799 -0.823 0.927 168 H GLY 35 HN GLY 35 19.031 -2.020 2.795 169 HA2 GLY 35 HA2 GLY 35 20.671 -3.926 3.007 170 HA3 GLY 35 HA1 GLY 35 21.009 -3.631 1.320 171 HA PRO 36 HA PRO 36 24.416 -1.239 3.002 172 HB2 PRO 36 HB2 PRO 36 24.940 -0.892 0.118 173 HB3 PRO 36 HB1 PRO 36 25.982 -1.549 1.380 174 HG2 PRO 36 HG2 PRO 36 24.870 -3.135 -0.464 175 HG3 PRO 36 HG1 PRO 36 25.078 -3.670 1.215 176 HD2 PRO 36 HD2 PRO 36 22.612 -2.680 -0.161 177 HD3 PRO 36 HD1 PRO 36 22.794 -4.019 0.995 178 H ALA 37 HN ALA 37 25.457 0.883 1.570 179 HA ALA 37 HA ALA 37 23.475 2.887 2.127 180 HB1 ALA 37 HB1 ALA 37 26.243 3.232 0.996 181 HB2 ALA 37 HB2 ALA 37 25.837 3.202 2.710 182 HB3 ALA 37 HB3 ALA 37 25.223 4.494 1.681 183 H HIS 38 HN HIS 38 25.169 1.791 -0.813 184 HA HIS 38 HA HIS 38 23.904 3.713 -2.487 185 HB2 HIS 38 HB2 HIS 38 24.782 2.442 -4.370 186 HB3 HIS 38 HB1 HIS 38 26.025 2.668 -3.149 187 HD1 HIS 38 HD1 HIS 38 27.040 0.563 -2.115 188 HD2 HIS 38 HD2 HIS 38 23.844 -0.213 -4.650 189 HE1 HIS 38 HE1 HIS 38 27.040 -1.927 -2.459 190 HE2 HIS 38 HE2 HIS 38 24.983 -2.386 -3.839 191 H ALA 39 HN ALA 39 23.000 0.627 -1.297 192 HA ALA 39 HA ALA 39 20.513 0.808 -2.850 193 HB1 ALA 39 HB1 ALA 39 20.341 -1.640 -2.726 194 HB2 ALA 39 HB2 ALA 39 21.910 -1.704 -1.927 195 HB3 ALA 39 HB3 ALA 39 21.793 -1.135 -3.592 196 H LYS 40 HN LYS 40 19.371 1.910 -1.300 197 HA LYS 40 HA LYS 40 19.021 0.540 1.256 198 HB2 LYS 40 HB2 LYS 40 20.479 2.583 1.520 199 HB3 LYS 40 HB1 LYS 40 19.096 3.547 1.020 200 HG2 LYS 40 HG2 LYS 40 19.211 3.563 3.404 201 HG3 LYS 40 HG1 LYS 40 17.817 2.607 2.921 202 HD2 LYS 40 HD2 LYS 40 19.198 0.560 3.220 203 HD3 LYS 40 HD1 LYS 40 20.494 1.579 3.848 204 HE2 LYS 40 HE2 LYS 40 17.733 1.257 5.009 205 HE3 LYS 40 HE1 LYS 40 19.231 0.611 5.674 206 HZ1 LYS 40 HZ1 LYS 40 18.519 2.632 6.799 207 HZ2 LYS 40 HZ2 LYS 40 18.606 3.496 5.353 208 HZ3 LYS 40 HZ3 LYS 40 20.012 2.853 6.041 209 H ARG 41 HN ARG 41 17.610 0.628 -1.318 210 HA ARG 41 HA ARG 41 15.388 2.423 -1.021 211 HB2 ARG 41 HB2 ARG 41 14.575 1.150 -3.087 212 HB3 ARG 41 HB1 ARG 41 16.058 2.079 -3.252 213 HG2 ARG 41 HG2 ARG 41 17.398 0.156 -3.237 214 HG3 ARG 41 HG1 ARG 41 16.106 -0.843 -2.577 215 HD2 ARG 41 HD2 ARG 41 15.988 0.434 -5.299 216 HD3 ARG 41 HD1 ARG 41 16.623 -1.186 -5.016 217 HE ARG 41 HE ARG 41 14.008 -0.844 -3.919 218 HH11 ARG 41 HH11 ARG 41 15.751 -1.496 -6.881 219 HH12 ARG 41 HH12 ARG 41 14.424 -2.328 -7.630 220 HH21 ARG 41 HH21 ARG 41 12.247 -1.933 -4.901 221 HH22 ARG 41 HH22 ARG 41 12.428 -2.556 -6.515 222 H PHE 42 HN PHE 42 13.386 1.978 -0.413 223 HA PHE 42 HA PHE 42 12.830 -0.723 0.587 224 HB2 PHE 42 HB2 PHE 42 11.655 1.945 1.394 225 HB3 PHE 42 HB1 PHE 42 11.128 0.389 2.026 226 HD1 PHE 42 HD2 PHE 42 13.978 2.723 1.851 227 HD2 PHE 42 HD1 PHE 42 12.271 -0.656 3.769 228 HE1 PHE 42 HE2 PHE 42 15.690 2.868 3.610 229 HE2 PHE 42 HE1 PHE 42 13.972 -0.523 5.547 230 HZ PHE 42 HZ PHE 42 15.716 1.245 5.439 231 H THR 43 HN THR 43 11.204 -1.819 -0.252 232 HA THR 43 HA THR 43 9.295 -0.418 -1.993 233 HB THR 43 HB THR 43 10.557 -3.105 -2.608 234 HG1 THR 43 HG1 THR 43 11.330 -0.503 -3.146 235 HG21 THR 43 HG21 THR 43 8.318 -2.846 -3.528 236 HG22 THR 43 HG22 THR 43 9.518 -2.774 -4.815 237 HG23 THR 43 HG23 THR 43 8.766 -1.292 -4.231 238 H PHE 44 HN PHE 44 7.198 -0.888 -1.449 239 HA PHE 44 HA PHE 44 6.681 -3.347 0.021 240 HB2 PHE 44 HB2 PHE 44 6.658 -2.172 1.955 241 HB3 PHE 44 HB1 PHE 44 6.726 -0.633 1.108 242 HD1 PHE 44 HD2 PHE 44 4.403 -3.325 2.128 243 HD2 PHE 44 HD1 PHE 44 4.879 0.762 1.080 244 HE1 PHE 44 HE2 PHE 44 2.088 -2.873 2.820 245 HE2 PHE 44 HE1 PHE 44 2.573 1.221 1.783 246 HZ PHE 44 HZ PHE 44 1.132 -0.614 2.490 247 H GLY 45 HN GLY 45 4.405 -3.940 -0.001 248 HA2 GLY 45 HA2 GLY 45 2.831 -2.497 -2.038 249 HA3 GLY 45 HA1 GLY 45 2.954 -4.251 -2.064 250 H VAL 46 HN VAL 46 0.674 -2.274 -1.650 251 HA VAL 46 HA VAL 46 -0.194 -3.030 1.078 252 HB VAL 46 HB VAL 46 -1.813 -1.114 -0.474 253 HG11 VAL 46 HG11 VAL 46 -2.435 -1.631 1.763 254 HG12 VAL 46 HG12 VAL 46 -1.880 0.043 1.711 255 HG13 VAL 46 HG13 VAL 46 -0.829 -1.214 2.359 256 HG21 VAL 46 HG21 VAL 46 0.924 -0.348 0.501 257 HG22 VAL 46 HG22 VAL 46 -0.341 0.798 0.064 258 HG23 VAL 46 HG23 VAL 46 0.323 -0.289 -1.155 259 H ARG 47 HN ARG 47 -2.460 -3.696 1.359 260 HA ARG 47 HA ARG 47 -4.008 -4.160 -1.033 261 HB2 ARG 47 HB2 ARG 47 -4.527 -6.510 -0.287 262 HB3 ARG 47 HB1 ARG 47 -2.890 -6.284 -0.887 263 HG2 ARG 47 HG2 ARG 47 -2.134 -6.105 1.482 264 HG3 ARG 47 HG1 ARG 47 -3.770 -6.521 1.976 265 HD2 ARG 47 HD2 ARG 47 -3.591 -8.629 0.736 266 HD3 ARG 47 HD1 ARG 47 -1.934 -8.218 0.297 267 HE ARG 47 HE ARG 47 -1.722 -8.105 2.913 268 HH11 ARG 47 HH11 ARG 47 -3.397 -10.457 0.941 269 HH12 ARG 47 HH12 ARG 47 -3.248 -11.736 2.102 270 HH21 ARG 47 HH21 ARG 47 -1.526 -9.788 4.462 271 HH22 ARG 47 HH22 ARG 47 -2.185 -11.355 4.108 272 H VAL 48 HN VAL 48 -6.230 -4.226 -0.589 273 HA VAL 48 HA VAL 48 -6.958 -3.563 2.207 274 HB VAL 48 HB VAL 48 -8.255 -2.415 -0.267 275 HG11 VAL 48 HG11 VAL 48 -8.570 -1.769 2.656 276 HG12 VAL 48 HG12 VAL 48 -9.777 -2.487 1.587 277 HG13 VAL 48 HG13 VAL 48 -9.257 -0.821 1.335 278 HG21 VAL 48 HG21 VAL 48 -7.156 -0.295 0.394 279 HG22 VAL 48 HG22 VAL 48 -6.030 -1.544 -0.133 280 HG23 VAL 48 HG23 VAL 48 -6.220 -1.197 1.585 281 H ASN 49 HN ASN 49 -9.176 -4.090 2.818 282 HA ASN 49 HA ASN 49 -10.069 -6.542 1.504 283 HB2 ASN 49 HB2 ASN 49 -9.692 -6.497 3.985 284 HB3 ASN 49 HB1 ASN 49 -11.024 -5.352 4.111 285 HD21 ASN 49 HD21 ASN 49 -13.140 -6.064 3.703 286 HD22 ASN 49 HD22 ASN 49 -13.548 -7.746 3.721 287 H THR 50 HN THR 50 -10.939 -5.540 -0.249 288 HA THR 50 HA THR 50 -13.151 -3.666 0.043 289 HB THR 50 HB THR 50 -13.511 -3.960 -2.415 290 HG1 THR 50 HG1 THR 50 -11.517 -5.896 -2.012 291 HG21 THR 50 HG21 THR 50 -12.134 -2.159 -1.579 292 HG22 THR 50 HG22 THR 50 -11.444 -2.794 -3.074 293 HG23 THR 50 HG23 THR 50 -10.730 -3.222 -1.518 294 H SER 51 HN SER 51 -14.892 -4.325 0.914 295 HA SER 51 HA SER 51 -15.780 -6.817 1.451 296 HB2 SER 51 HB2 SER 51 -17.364 -4.324 0.879 297 HB3 SER 51 HB1 SER 51 -18.050 -5.759 1.649 298 HG SER 51 HG SER 51 -16.113 -5.417 3.146 299 H ASP 52 HN ASP 52 -16.284 -5.091 -1.573 300 HA ASP 52 HA ASP 52 -18.257 -6.743 -2.671 301 HB2 ASP 52 HB2 ASP 52 -17.478 -5.829 -4.868 302 HB3 ASP 52 HB1 ASP 52 -17.856 -4.615 -3.652 303 H ARG 53 HN ARG 53 -14.707 -7.100 -2.706 304 HA ARG 53 HA ARG 53 -15.092 -9.686 -4.067 305 HB2 ARG 53 HB2 ARG 53 -12.976 -7.615 -4.659 306 HB3 ARG 53 HB1 ARG 53 -12.910 -9.269 -5.241 307 HG2 ARG 53 HG2 ARG 53 -14.970 -8.928 -6.494 308 HG3 ARG 53 HG1 ARG 53 -15.062 -7.272 -5.887 309 HD2 ARG 53 HD2 ARG 53 -12.883 -6.802 -6.944 310 HD3 ARG 53 HD1 ARG 53 -12.879 -8.432 -7.614 311 HE ARG 53 HE ARG 53 -15.222 -7.389 -8.495 312 HH11 ARG 53 HH11 ARG 53 -11.900 -6.300 -8.638 313 HH12 ARG 53 HH12 ARG 53 -12.108 -5.452 -10.137 314 HH21 ARG 53 HH21 ARG 53 -15.504 -6.265 -10.457 315 HH22 ARG 53 HH22 ARG 53 -14.170 -5.415 -11.164 316 H GLY 54 HN GLY 54 -13.150 -7.724 -1.915 317 HA2 GLY 54 HA2 GLY 54 -12.395 -8.901 0.127 318 HA3 GLY 54 HA1 GLY 54 -11.810 -10.151 -0.949 319 H TRP 55 HN TRP 55 -9.736 -9.984 -0.173 320 HA TRP 55 HA TRP 55 -8.132 -7.755 -0.003 321 HB2 TRP 55 HB2 TRP 55 -7.600 -10.620 -0.603 322 HB3 TRP 55 HB1 TRP 55 -6.298 -9.475 -0.885 323 HD1 TRP 55 HD1 TRP 55 -7.031 -11.808 1.595 324 HE1 TRP 55 HE1 TRP 55 -6.308 -11.078 3.954 325 HE3 TRP 55 HE3 TRP 55 -6.546 -6.796 0.779 326 HZ2 TRP 55 HZ2 TRP 55 -5.607 -8.682 5.273 327 HZ3 TRP 55 HZ3 TRP 55 -5.845 -5.361 2.643 328 HH2 TRP 55 HH2 TRP 55 -5.401 -6.279 4.847 329 H THR 56 HN THR 56 -7.649 -6.234 -1.381 330 HA THR 56 HA THR 56 -8.097 -6.388 -4.182 331 HB THR 56 HB THR 56 -6.961 -4.192 -4.278 332 HG1 THR 56 HG1 THR 56 -5.457 -3.992 -2.788 333 HG21 THR 56 HG21 THR 56 -8.901 -4.448 -1.980 334 HG22 THR 56 HG22 THR 56 -9.333 -4.290 -3.684 335 HG23 THR 56 HG23 THR 56 -8.524 -2.962 -2.852 336 H ASP 57 HN ASP 57 -6.368 -5.898 -5.807 337 HA ASP 57 HA ASP 57 -4.193 -7.699 -5.596 338 HB2 ASP 57 HB2 ASP 57 -3.500 -6.981 -7.722 339 HB3 ASP 57 HB1 ASP 57 -5.242 -6.801 -7.754 340 H GLU 58 HN GLU 58 -2.204 -7.429 -4.935 341 HA GLU 58 HA GLU 58 -1.726 -5.397 -3.059 342 HB2 GLU 58 HB2 GLU 58 -0.844 -7.666 -2.883 343 HB3 GLU 58 HB1 GLU 58 0.232 -7.364 -4.233 344 HG2 GLU 58 HG2 GLU 58 1.434 -5.724 -2.953 345 HG3 GLU 58 HG1 GLU 58 0.276 -5.856 -1.629 346 H CYS 59 HN CYS 59 -1.146 -3.452 -3.378 347 HA CYS 59 HA CYS 59 -0.062 -2.649 -5.978 348 HB2 CYS 59 HB2 CYS 59 -1.243 -0.958 -3.766 349 HB3 CYS 59 HB1 CYS 59 -0.786 -0.390 -5.369 350 HG CYS 59 HG CYS 59 -3.016 -2.924 -5.277 351 H ILE 60 HN ILE 60 2.087 -2.697 -6.024 352 HA ILE 60 HA ILE 60 3.629 -2.098 -3.655 353 HB ILE 60 HB ILE 60 4.329 -3.225 -6.350 354 HG12 ILE 60 HG12 ILE 60 5.242 -5.057 -4.924 355 HG13 ILE 60 HG11 ILE 60 4.669 -4.192 -3.508 356 HG21 ILE 60 HG21 ILE 60 6.679 -3.288 -5.642 357 HG22 ILE 60 HG22 ILE 60 6.260 -2.313 -4.232 358 HG23 ILE 60 HG23 ILE 60 6.081 -1.643 -5.854 359 HD11 ILE 60 HD11 ILE 60 2.387 -4.390 -4.323 360 HD12 ILE 60 HD12 ILE 60 3.156 -5.961 -4.079 361 HD13 ILE 60 HD13 ILE 60 2.973 -5.311 -5.710 362 H GLY 61 HN GLY 61 4.693 -0.338 -3.261 363 HA2 GLY 61 HA2 GLY 61 4.450 1.941 -5.050 364 HA3 GLY 61 HA1 GLY 61 5.124 1.954 -3.425 365 H GLU 62 HN GLU 62 6.652 3.401 -4.785 366 HA GLU 62 HA GLU 62 8.518 1.862 -6.411 367 HB2 GLU 62 HB2 GLU 62 9.385 3.964 -7.164 368 HB3 GLU 62 HB1 GLU 62 7.630 4.015 -7.254 369 HG2 GLU 62 HG2 GLU 62 7.553 5.241 -5.170 370 HG3 GLU 62 HG1 GLU 62 9.309 5.172 -5.071 371 HA PRO 63 HA PRO 63 11.918 1.525 -3.571 372 HB2 PRO 63 HB2 PRO 63 13.430 3.079 -5.626 373 HB3 PRO 63 HB1 PRO 63 13.861 1.566 -4.823 374 HG2 PRO 63 HG2 PRO 63 12.976 1.567 -7.328 375 HG3 PRO 63 HG1 PRO 63 12.493 0.294 -6.191 376 HD2 PRO 63 HD2 PRO 63 10.931 2.603 -7.225 377 HD3 PRO 63 HD1 PRO 63 10.383 0.984 -6.758 378 H MET 64 HN MET 64 11.508 2.859 -1.829 379 HA MET 64 HA MET 64 12.094 5.720 -2.154 380 HB2 MET 64 HB2 MET 64 10.466 4.273 -0.063 381 HB3 MET 64 HB1 MET 64 10.782 6.003 -0.071 382 HG2 MET 64 HG2 MET 64 9.311 4.478 -2.207 383 HG3 MET 64 HG1 MET 64 8.580 5.473 -0.954 384 HE1 MET 64 HE1 MET 64 8.488 8.087 -0.977 385 HE2 MET 64 HE2 MET 64 9.620 9.062 -1.913 386 HE3 MET 64 HE3 MET 64 10.220 7.974 -0.664 387 HA PRO 65 HA PRO 65 15.669 5.067 0.357 388 HB2 PRO 65 HB2 PRO 65 16.258 7.590 1.046 389 HB3 PRO 65 HB1 PRO 65 16.390 7.020 -0.623 390 HG2 PRO 65 HG2 PRO 65 14.221 8.629 0.665 391 HG3 PRO 65 HG1 PRO 65 14.960 8.822 -0.935 392 HD2 PRO 65 HD2 PRO 65 12.554 7.571 -0.488 393 HD3 PRO 65 HD1 PRO 65 13.603 7.244 -1.881 394 H SER 66 HN SER 66 12.778 5.468 1.749 395 HA SER 66 HA SER 66 13.856 5.098 4.394 396 HB2 SER 66 HB2 SER 66 13.616 7.477 4.494 397 HB3 SER 66 HB1 SER 66 12.067 7.424 3.659 398 HG SER 66 HG SER 66 12.123 7.686 6.071 399 H VAL 67 HN VAL 67 12.445 3.918 5.678 400 HA VAL 67 HA VAL 67 10.657 2.300 4.144 401 HB VAL 67 HB VAL 67 12.124 1.494 6.045 402 HG11 VAL 67 HG11 VAL 67 9.910 2.646 7.729 403 HG12 VAL 67 HG12 VAL 67 11.589 3.183 7.698 404 HG13 VAL 67 HG13 VAL 67 11.188 1.575 8.300 405 HG21 VAL 67 HG21 VAL 67 10.434 0.118 4.997 406 HG22 VAL 67 HG22 VAL 67 9.204 0.769 6.080 407 HG23 VAL 67 HG23 VAL 67 10.520 -0.213 6.727 408 H LYS 68 HN LYS 68 10.327 5.085 6.135 409 HA LYS 68 HA LYS 68 7.521 4.825 6.616 410 HB2 LYS 68 HB2 LYS 68 9.256 7.304 6.595 411 HB3 LYS 68 HB1 LYS 68 7.627 7.197 7.247 412 HG2 LYS 68 HG2 LYS 68 10.042 5.722 8.276 413 HG3 LYS 68 HG1 LYS 68 9.295 7.138 9.014 414 HD2 LYS 68 HD2 LYS 68 7.220 5.856 9.328 415 HD3 LYS 68 HD1 LYS 68 8.003 4.438 8.627 416 HE2 LYS 68 HE2 LYS 68 8.032 4.291 11.045 417 HE3 LYS 68 HE1 LYS 68 9.673 4.491 10.432 418 HZ1 LYS 68 HZ1 LYS 68 9.580 6.825 11.011 419 HZ2 LYS 68 HZ2 LYS 68 9.239 5.883 12.373 420 HZ3 LYS 68 HZ3 LYS 68 7.986 6.664 11.553 421 H LYS 69 HN LYS 69 9.541 6.309 4.148 422 HA LYS 69 HA LYS 69 7.364 7.547 2.751 423 HB2 LYS 69 HB2 LYS 69 10.141 6.935 1.722 424 HB3 LYS 69 HB1 LYS 69 9.003 8.101 1.062 425 HG2 LYS 69 HG2 LYS 69 9.172 9.415 3.111 426 HG3 LYS 69 HG1 LYS 69 10.329 8.247 3.749 427 HD2 LYS 69 HD2 LYS 69 11.578 10.091 2.901 428 HD3 LYS 69 HD1 LYS 69 11.786 8.751 1.773 429 HE2 LYS 69 HE2 LYS 69 11.434 10.794 0.541 430 HE3 LYS 69 HE1 LYS 69 10.042 9.738 0.331 431 HZ1 LYS 69 HZ1 LYS 69 8.846 11.038 1.971 432 HZ2 LYS 69 HZ2 LYS 69 9.380 12.027 0.710 433 HZ3 LYS 69 HZ3 LYS 69 10.188 12.046 2.196 434 H ALA 70 HN ALA 70 8.917 4.471 2.791 435 HA ALA 70 HA ALA 70 8.213 3.431 0.307 436 HB1 ALA 70 HB1 ALA 70 9.684 2.253 1.851 437 HB2 ALA 70 HB2 ALA 70 8.330 1.228 1.372 438 HB3 ALA 70 HB3 ALA 70 8.336 1.998 2.959 439 H LYS 71 HN LYS 71 6.453 3.193 3.393 440 HA LYS 71 HA LYS 71 4.102 2.061 2.560 441 HB2 LYS 71 HB2 LYS 71 4.400 4.257 4.617 442 HB3 LYS 71 HB1 LYS 71 3.070 3.113 4.502 443 HG2 LYS 71 HG2 LYS 71 4.559 1.282 5.044 444 HG3 LYS 71 HG1 LYS 71 5.937 2.384 5.072 445 HD2 LYS 71 HD2 LYS 71 4.866 3.624 6.918 446 HD3 LYS 71 HD1 LYS 71 3.548 2.452 6.914 447 HE2 LYS 71 HE2 LYS 71 6.453 1.828 7.437 448 HE3 LYS 71 HE1 LYS 71 5.203 1.982 8.670 449 HZ1 LYS 71 HZ1 LYS 71 4.038 0.112 7.625 450 HZ2 LYS 71 HZ2 LYS 71 5.579 -0.322 8.160 451 HZ3 LYS 71 HZ3 LYS 71 5.301 -0.058 6.515 452 H ASP 72 HN ASP 72 4.802 5.549 2.823 453 HA ASP 72 HA ASP 72 2.379 6.495 1.903 454 HB2 ASP 72 HB2 ASP 72 5.132 7.693 1.815 455 HB3 ASP 72 HB1 ASP 72 3.743 8.551 1.158 456 H SER 73 HN SER 73 5.270 5.711 -0.082 457 HA SER 73 HA SER 73 4.251 6.647 -2.499 458 HB2 SER 73 HB2 SER 73 6.594 6.029 -2.220 459 HB3 SER 73 HB1 SER 73 6.144 4.344 -1.967 460 HG SER 73 HG SER 73 6.069 5.876 -4.327 461 H ALA 74 HN ALA 74 3.965 3.446 -0.983 462 HA ALA 74 HA ALA 74 2.555 2.282 -3.179 463 HB1 ALA 74 HB1 ALA 74 2.219 0.408 -1.758 464 HB2 ALA 74 HB2 ALA 74 2.489 1.377 -0.309 465 HB3 ALA 74 HB3 ALA 74 3.832 1.033 -1.406 466 H ALA 75 HN ALA 75 1.656 3.816 -0.160 467 HA ALA 75 HA ALA 75 -1.092 3.439 -0.151 468 HB1 ALA 75 HB1 ALA 75 -1.202 5.446 1.246 469 HB2 ALA 75 HB2 ALA 75 0.453 5.854 0.794 470 HB3 ALA 75 HB3 ALA 75 0.127 4.393 1.728 471 H VAL 76 HN VAL 76 0.829 5.849 -1.934 472 HA VAL 76 HA VAL 76 -1.330 7.431 -2.814 473 HB VAL 76 HB VAL 76 1.347 6.952 -4.141 474 HG11 VAL 76 HG11 VAL 76 -0.283 7.814 -5.737 475 HG12 VAL 76 HG12 VAL 76 0.926 9.038 -5.349 476 HG13 VAL 76 HG13 VAL 76 -0.683 9.127 -4.632 477 HG21 VAL 76 HG21 VAL 76 0.399 9.157 -2.314 478 HG22 VAL 76 HG22 VAL 76 1.964 9.102 -3.125 479 HG23 VAL 76 HG23 VAL 76 1.558 7.891 -1.909 480 H LEU 77 HN LEU 77 0.130 4.489 -4.071 481 HA LEU 77 HA LEU 77 -1.411 4.521 -6.510 482 HB2 LEU 77 HB2 LEU 77 0.233 2.333 -5.232 483 HB3 LEU 77 HB1 LEU 77 -0.460 2.267 -6.836 484 HG LEU 77 HG LEU 77 1.688 4.168 -5.907 485 HD11 LEU 77 HD11 LEU 77 1.775 1.860 -7.843 486 HD12 LEU 77 HD12 LEU 77 2.478 1.888 -6.225 487 HD13 LEU 77 HD13 LEU 77 3.106 2.958 -7.479 488 HD21 LEU 77 HD21 LEU 77 1.797 4.844 -8.282 489 HD22 LEU 77 HD22 LEU 77 0.273 5.282 -7.511 490 HD23 LEU 77 HD23 LEU 77 0.346 3.891 -8.593 491 H LEU 78 HN LEU 78 -1.647 3.321 -3.309 492 HA LEU 78 HA LEU 78 -3.842 1.575 -3.626 493 HB2 LEU 78 HB2 LEU 78 -2.250 1.852 -1.658 494 HB3 LEU 78 HB1 LEU 78 -3.209 3.247 -1.219 495 HG LEU 78 HG LEU 78 -5.203 1.708 -1.120 496 HD11 LEU 78 HD11 LEU 78 -3.018 -0.256 -1.622 497 HD12 LEU 78 HD12 LEU 78 -4.654 -0.206 -2.276 498 HD13 LEU 78 HD13 LEU 78 -4.384 -0.714 -0.609 499 HD21 LEU 78 HD21 LEU 78 -4.329 2.460 0.916 500 HD22 LEU 78 HD22 LEU 78 -2.855 1.510 0.737 501 HD23 LEU 78 HD23 LEU 78 -4.391 0.703 1.088 502 H LEU 79 HN LEU 79 -3.594 4.996 -2.708 503 HA LEU 79 HA LEU 79 -6.248 5.557 -2.188 504 HB2 LEU 79 HB2 LEU 79 -3.855 7.085 -2.922 505 HB3 LEU 79 HB1 LEU 79 -5.366 7.878 -3.308 506 HG LEU 79 HG LEU 79 -6.059 7.761 -0.974 507 HD11 LEU 79 HD11 LEU 79 -4.436 7.024 0.743 508 HD12 LEU 79 HD12 LEU 79 -3.414 6.385 -0.545 509 HD13 LEU 79 HD13 LEU 79 -5.022 5.712 -0.277 510 HD21 LEU 79 HD21 LEU 79 -4.405 9.303 -0.045 511 HD22 LEU 79 HD22 LEU 79 -4.792 9.696 -1.718 512 HD23 LEU 79 HD23 LEU 79 -3.281 8.874 -1.332 513 H GLU 80 HN GLU 80 -4.633 5.324 -5.283 514 HA GLU 80 HA GLU 80 -6.857 6.495 -6.688 515 HB2 GLU 80 HB2 GLU 80 -5.634 5.641 -8.748 516 HB3 GLU 80 HB1 GLU 80 -4.844 6.889 -7.783 517 HG2 GLU 80 HG2 GLU 80 -3.436 5.259 -6.762 518 HG3 GLU 80 HG1 GLU 80 -4.275 3.949 -7.590 519 H LEU 81 HN LEU 81 -5.762 3.284 -5.897 520 HA LEU 81 HA LEU 81 -7.389 1.854 -7.706 521 HB2 LEU 81 HB2 LEU 81 -5.390 0.994 -6.456 522 HB3 LEU 81 HB1 LEU 81 -6.401 0.928 -5.033 523 HG LEU 81 HG LEU 81 -6.000 -1.219 -6.409 524 HD11 LEU 81 HD11 LEU 81 -8.790 -0.433 -5.592 525 HD12 LEU 81 HD12 LEU 81 -7.546 -1.095 -4.532 526 HD13 LEU 81 HD13 LEU 81 -8.212 -2.081 -5.834 527 HD21 LEU 81 HD21 LEU 81 -6.572 -0.229 -8.580 528 HD22 LEU 81 HD22 LEU 81 -8.229 0.001 -8.022 529 HD23 LEU 81 HD23 LEU 81 -7.575 -1.627 -8.196 530 H LEU 82 HN LEU 82 -7.790 2.585 -4.250 531 HA LEU 82 HA LEU 82 -10.457 1.613 -4.141 532 HB2 LEU 82 HB2 LEU 82 -8.930 3.420 -2.276 533 HB3 LEU 82 HB1 LEU 82 -10.551 2.846 -1.958 534 HG LEU 82 HG LEU 82 -9.306 1.357 -0.738 535 HD11 LEU 82 HD11 LEU 82 -9.296 -0.775 -1.878 536 HD12 LEU 82 HD12 LEU 82 -9.386 0.038 -3.440 537 HD13 LEU 82 HD13 LEU 82 -10.736 0.148 -2.312 538 HD21 LEU 82 HD21 LEU 82 -7.244 1.367 -2.927 539 HD22 LEU 82 HD22 LEU 82 -7.166 0.396 -1.459 540 HD23 LEU 82 HD23 LEU 82 -7.123 2.156 -1.355 541 H ASN 83 HN ASN 83 -9.197 4.358 -5.515 542 HA ASN 83 HA ASN 83 -11.644 5.929 -5.197 543 HB2 ASN 83 HB2 ASN 83 -9.388 7.033 -5.122 544 HB3 ASN 83 HB1 ASN 83 -9.173 6.592 -6.811 545 HD21 ASN 83 HD21 ASN 83 -9.062 8.660 -7.567 546 HD22 ASN 83 HD22 ASN 83 -10.411 9.741 -7.574 547 H LYS 84 HN LYS 84 -10.528 3.463 -7.073 548 HA LYS 84 HA LYS 84 -12.124 4.288 -9.399 549 HB2 LYS 84 HB2 LYS 84 -9.730 2.446 -9.266 550 HB3 LYS 84 HB1 LYS 84 -10.721 2.667 -10.702 551 HG2 LYS 84 HG2 LYS 84 -9.980 4.842 -11.033 552 HG3 LYS 84 HG1 LYS 84 -9.426 5.010 -9.366 553 HD2 LYS 84 HD2 LYS 84 -7.664 3.324 -9.831 554 HD3 LYS 84 HD1 LYS 84 -8.187 3.294 -11.518 555 HE2 LYS 84 HE2 LYS 84 -7.200 5.744 -10.063 556 HE3 LYS 84 HE1 LYS 84 -6.206 4.737 -11.111 557 HZ1 LYS 84 HZ1 LYS 84 -7.027 6.675 -12.280 558 HZ2 LYS 84 HZ2 LYS 84 -8.624 6.244 -11.943 559 HZ3 LYS 84 HZ3 LYS 84 -7.683 5.268 -12.950 560 H THR 85 HN THR 85 -13.280 3.202 -7.142 561 HA THR 85 HA THR 85 -14.639 0.960 -8.241 562 HB THR 85 HB THR 85 -12.691 -0.250 -7.414 563 HG1 THR 85 HG1 THR 85 -14.703 -0.839 -5.521 564 HG21 THR 85 HG21 THR 85 -13.399 0.848 -4.699 565 HG22 THR 85 HG22 THR 85 -12.000 1.315 -5.663 566 HG23 THR 85 HG23 THR 85 -12.136 -0.332 -5.045 Start of MODEL 14 1 H1 ASN 15 HT1 ASN 15 -4.568 5.817 4.054 2 H2 ASN 15 HT2 ASN 15 -5.457 7.154 4.577 3 H3 ASN 15 HT3 ASN 15 -5.906 6.339 3.164 4 HA ASN 15 HA ASN 15 -6.388 4.349 4.451 5 HB2 ASN 15 HB2 ASN 15 -6.530 4.517 6.903 6 HB3 ASN 15 HB1 ASN 15 -4.885 4.759 6.332 7 HD21 ASN 15 HD21 ASN 15 -6.228 5.591 8.819 8 HD22 ASN 15 HD22 ASN 15 -5.989 7.303 8.909 9 H ASP 16 HN ASP 16 -7.282 7.653 4.318 10 HA ASP 16 HA ASP 16 -9.713 7.670 5.695 11 HB2 ASP 16 HB2 ASP 16 -8.648 9.716 4.944 12 HB3 ASP 16 HB1 ASP 16 -8.862 9.250 3.264 13 H ILE 17 HN ILE 17 -9.025 6.971 2.298 14 HA ILE 17 HA ILE 17 -11.686 6.710 1.460 15 HB ILE 17 HB ILE 17 -9.154 5.539 0.323 16 HG12 ILE 17 HG12 ILE 17 -9.768 7.182 -1.529 17 HG13 ILE 17 HG11 ILE 17 -10.975 7.818 -0.424 18 HG21 ILE 17 HG21 ILE 17 -10.964 4.021 -0.252 19 HG22 ILE 17 HG22 ILE 17 -10.444 4.926 -1.675 20 HG23 ILE 17 HG23 ILE 17 -11.932 5.373 -0.841 21 HD11 ILE 17 HD11 ILE 17 -8.016 7.758 0.054 22 HD12 ILE 17 HD12 ILE 17 -9.234 8.381 1.165 23 HD13 ILE 17 HD13 ILE 17 -8.977 9.169 -0.393 24 H CYS 18 HN CYS 18 -9.372 4.262 2.573 25 HA CYS 18 HA CYS 18 -11.069 2.038 2.268 26 HB2 CYS 18 HB2 CYS 18 -8.651 1.805 2.504 27 HB3 CYS 18 HB1 CYS 18 -8.718 2.493 4.120 28 HG CYS 18 HG CYS 18 -10.336 0.289 5.063 29 H LEU 19 HN LEU 19 -10.355 4.141 4.989 30 HA LEU 19 HA LEU 19 -11.874 2.866 6.967 31 HB2 LEU 19 HB2 LEU 19 -10.156 4.636 7.253 32 HB3 LEU 19 HB1 LEU 19 -11.305 5.801 6.653 33 HG LEU 19 HG LEU 19 -12.793 5.261 8.574 34 HD11 LEU 19 HD11 LEU 19 -10.414 3.674 9.525 35 HD12 LEU 19 HD12 LEU 19 -11.988 3.023 9.067 36 HD13 LEU 19 HD13 LEU 19 -11.842 4.061 10.484 37 HD21 LEU 19 HD21 LEU 19 -11.330 7.198 8.629 38 HD22 LEU 19 HD22 LEU 19 -10.015 6.205 9.254 39 HD23 LEU 19 HD23 LEU 19 -11.457 6.473 10.230 40 H ARG 20 HN ARG 20 -12.644 5.420 4.684 41 HA ARG 20 HA ARG 20 -15.219 6.046 5.669 42 HB2 ARG 20 HB2 ARG 20 -13.732 7.406 4.096 43 HB3 ARG 20 HB1 ARG 20 -14.348 6.377 2.810 44 HG2 ARG 20 HG2 ARG 20 -15.663 8.341 2.814 45 HG3 ARG 20 HG1 ARG 20 -16.650 7.051 3.505 46 HD2 ARG 20 HD2 ARG 20 -16.192 7.842 5.738 47 HD3 ARG 20 HD1 ARG 20 -15.101 9.075 5.108 48 HE ARG 20 HE ARG 20 -17.812 9.213 4.106 49 HH11 ARG 20 HH11 ARG 20 -15.555 10.266 6.562 50 HH12 ARG 20 HH12 ARG 20 -16.458 11.690 6.964 51 HH21 ARG 20 HH21 ARG 20 -19.005 11.090 4.631 52 HH22 ARG 20 HH22 ARG 20 -18.414 12.167 5.857 53 H LYS 21 HN LYS 21 -14.069 3.680 3.362 54 HA LYS 21 HA LYS 21 -16.632 3.000 2.314 55 HB2 LYS 21 HB2 LYS 21 -13.938 1.673 2.234 56 HB3 LYS 21 HB1 LYS 21 -15.357 0.971 1.464 57 HG2 LYS 21 HG2 LYS 21 -14.151 3.658 0.851 58 HG3 LYS 21 HG1 LYS 21 -13.999 2.198 -0.128 59 HD2 LYS 21 HD2 LYS 21 -16.708 3.227 0.556 60 HD3 LYS 21 HD1 LYS 21 -15.781 4.007 -0.705 61 HE2 LYS 21 HE2 LYS 21 -17.168 2.392 -1.752 62 HE3 LYS 21 HE1 LYS 21 -15.524 1.771 -1.787 63 HZ1 LYS 21 HZ1 LYS 21 -16.040 0.339 0.065 64 HZ2 LYS 21 HZ2 LYS 21 -17.155 0.081 -1.174 65 HZ3 LYS 21 HZ3 LYS 21 -17.599 0.982 0.184 66 H ASN 22 HN ASN 22 -15.501 2.620 5.296 67 HA ASN 22 HA ASN 22 -16.126 1.436 7.110 68 HB2 ASN 22 HB2 ASN 22 -18.406 1.663 6.024 69 HB3 ASN 22 HB1 ASN 22 -18.161 0.057 5.356 70 HD21 ASN 22 HD21 ASN 22 -18.670 1.915 8.245 71 HD22 ASN 22 HD22 ASN 22 -19.117 0.591 9.265 72 H TRP 23 HN TRP 23 -14.114 0.536 5.214 73 HA TRP 23 HA TRP 23 -14.114 -2.358 5.609 74 HB2 TRP 23 HB2 TRP 23 -12.076 -0.540 4.296 75 HB3 TRP 23 HB1 TRP 23 -11.980 -2.292 4.354 76 HD1 TRP 23 HD1 TRP 23 -15.136 -2.744 3.518 77 HE1 TRP 23 HE1 TRP 23 -15.743 -2.404 1.027 78 HE3 TRP 23 HE3 TRP 23 -11.166 0.127 2.099 79 HZ2 TRP 23 HZ2 TRP 23 -14.645 -1.122 -1.234 80 HZ3 TRP 23 HZ3 TRP 23 -11.022 0.874 -0.232 81 HH2 TRP 23 HH2 TRP 23 -12.710 0.256 -1.865 82 HA PRO 24 HA PRO 24 -11.388 -2.091 9.155 83 HB2 PRO 24 HB2 PRO 24 -9.749 -4.212 8.742 84 HB3 PRO 24 HB1 PRO 24 -11.409 -4.379 9.322 85 HG2 PRO 24 HG2 PRO 24 -10.321 -4.739 6.564 86 HG3 PRO 24 HG1 PRO 24 -11.528 -5.708 7.427 87 HD2 PRO 24 HD2 PRO 24 -12.188 -3.862 5.553 88 HD3 PRO 24 HD1 PRO 24 -13.237 -4.242 6.932 89 H MET 25 HN MET 25 -8.765 -2.412 9.488 90 HA MET 25 HA MET 25 -7.628 -0.358 7.856 91 HB2 MET 25 HB2 MET 25 -6.341 -2.139 9.930 92 HB3 MET 25 HB1 MET 25 -5.620 -0.695 9.236 93 HG2 MET 25 HG2 MET 25 -8.245 -0.528 10.641 94 HG3 MET 25 HG1 MET 25 -6.752 -0.599 11.564 95 HE1 MET 25 HE1 MET 25 -8.297 2.902 9.023 96 HE2 MET 25 HE2 MET 25 -9.063 1.329 9.253 97 HE3 MET 25 HE3 MET 25 -7.714 1.503 8.131 98 HA PRO 26 HA PRO 26 -5.920 -2.997 4.764 99 HB2 PRO 26 HB2 PRO 26 -3.795 -1.122 4.233 100 HB3 PRO 26 HB1 PRO 26 -5.230 -1.456 3.271 101 HG2 PRO 26 HG2 PRO 26 -4.813 0.901 4.590 102 HG3 PRO 26 HG1 PRO 26 -6.419 0.256 4.209 103 HD2 PRO 26 HD2 PRO 26 -4.914 0.199 6.790 104 HD3 PRO 26 HD1 PRO 26 -6.650 0.432 6.494 105 H SER 27 HN SER 27 -3.967 -4.047 4.080 106 HA SER 27 HA SER 27 -2.277 -4.819 6.306 107 HB2 SER 27 HB2 SER 27 -3.225 -6.467 4.692 108 HB3 SER 27 HB1 SER 27 -2.254 -5.733 3.424 109 HG SER 27 HG SER 27 -1.546 -7.581 5.238 110 H TYR 28 HN TYR 28 0.018 -4.572 6.358 111 HA TYR 28 HA TYR 28 1.213 -2.914 4.317 112 HB2 TYR 28 HB2 TYR 28 0.938 -2.056 7.193 113 HB3 TYR 28 HB1 TYR 28 2.225 -1.445 6.163 114 HD1 TYR 28 HD1 TYR 28 1.709 0.044 4.273 115 HD2 TYR 28 HD2 TYR 28 -1.343 -1.318 6.912 116 HE1 TYR 28 HE1 TYR 28 0.229 1.824 3.465 117 HE2 TYR 28 HE2 TYR 28 -2.835 0.463 6.106 118 HH TYR 28 HH TYR 28 -2.529 2.773 5.046 119 H ARG 29 HN ARG 29 2.955 -4.141 3.798 120 HA ARG 29 HA ARG 29 4.746 -5.038 5.879 121 HB2 ARG 29 HB2 ARG 29 4.693 -7.407 4.909 122 HB3 ARG 29 HB1 ARG 29 3.357 -6.931 5.947 123 HG2 ARG 29 HG2 ARG 29 2.005 -6.459 3.936 124 HG3 ARG 29 HG1 ARG 29 3.338 -7.038 2.936 125 HD2 ARG 29 HD2 ARG 29 1.959 -8.680 5.056 126 HD3 ARG 29 HD1 ARG 29 1.550 -8.726 3.342 127 HE ARG 29 HE ARG 29 4.314 -9.198 3.701 128 HH11 ARG 29 HH11 ARG 29 1.206 -10.737 4.155 129 HH12 ARG 29 HH12 ARG 29 1.821 -12.341 3.926 130 HH21 ARG 29 HH21 ARG 29 5.132 -11.311 3.381 131 HH22 ARG 29 HH22 ARG 29 4.059 -12.669 3.490 132 H CYS 30 HN CYS 30 6.783 -4.938 5.208 133 HA CYS 30 HA CYS 30 7.387 -3.828 2.684 134 HB2 CYS 30 HB2 CYS 30 9.220 -5.051 4.753 135 HB3 CYS 30 HB1 CYS 30 9.747 -4.083 3.379 136 HG CYS 30 HG CYS 30 9.486 -2.895 6.171 137 H VAL 31 HN VAL 31 7.715 -4.757 0.803 138 HA VAL 31 HA VAL 31 7.833 -7.639 0.604 139 HB VAL 31 HB VAL 31 7.922 -5.573 -1.603 140 HG11 VAL 31 HG11 VAL 31 7.312 -8.526 -1.707 141 HG12 VAL 31 HG12 VAL 31 8.814 -7.771 -2.237 142 HG13 VAL 31 HG13 VAL 31 7.305 -7.408 -3.071 143 HG21 VAL 31 HG21 VAL 31 5.858 -5.390 -0.322 144 HG22 VAL 31 HG22 VAL 31 5.579 -7.121 -0.501 145 HG23 VAL 31 HG23 VAL 31 5.542 -6.072 -1.917 146 H LYS 32 HN LYS 32 9.930 -4.849 0.049 147 HA LYS 32 HA LYS 32 12.196 -6.700 -0.136 148 HB2 LYS 32 HB2 LYS 32 11.625 -5.976 -2.415 149 HB3 LYS 32 HB1 LYS 32 11.748 -4.299 -1.906 150 HG2 LYS 32 HG2 LYS 32 14.124 -4.605 -1.438 151 HG3 LYS 32 HG1 LYS 32 14.004 -6.289 -1.954 152 HD2 LYS 32 HD2 LYS 32 13.354 -5.572 -4.189 153 HD3 LYS 32 HD1 LYS 32 13.420 -3.885 -3.681 154 HE2 LYS 32 HE2 LYS 32 15.800 -4.082 -3.252 155 HE3 LYS 32 HE1 LYS 32 15.755 -5.794 -3.668 156 HZ1 LYS 32 HZ1 LYS 32 15.113 -3.571 -5.528 157 HZ2 LYS 32 HZ2 LYS 32 15.145 -5.217 -5.914 158 HZ3 LYS 32 HZ3 LYS 32 16.574 -4.421 -5.493 159 H GLU 33 HN GLU 33 13.777 -6.208 1.150 160 HA GLU 33 HA GLU 33 13.938 -3.581 2.445 161 HB2 GLU 33 HB2 GLU 33 13.968 -5.466 3.962 162 HB3 GLU 33 HB1 GLU 33 15.226 -6.260 3.029 163 HG2 GLU 33 HG2 GLU 33 16.229 -5.389 4.988 164 HG3 GLU 33 HG1 GLU 33 16.752 -4.386 3.637 165 H GLY 34 HN GLY 34 16.019 -2.471 2.499 166 HA2 GLY 34 HA2 GLY 34 17.296 -2.702 -0.092 167 HA3 GLY 34 HA1 GLY 34 17.523 -1.416 1.080 168 H GLY 35 HN GLY 35 19.632 -2.501 -0.289 169 HA2 GLY 35 HA2 GLY 35 20.950 -4.565 1.211 170 HA3 GLY 35 HA1 GLY 35 21.636 -3.605 -0.084 171 HA PRO 36 HA PRO 36 24.244 -2.477 3.468 172 HB2 PRO 36 HB2 PRO 36 25.460 -1.052 1.136 173 HB3 PRO 36 HB1 PRO 36 26.247 -1.967 2.422 174 HG2 PRO 36 HG2 PRO 36 25.960 -3.058 0.043 175 HG3 PRO 36 HG1 PRO 36 25.646 -4.023 1.499 176 HD2 PRO 36 HD2 PRO 36 23.708 -2.766 -0.394 177 HD3 PRO 36 HD1 PRO 36 23.614 -4.333 0.433 178 H ALA 37 HN ALA 37 24.216 0.126 1.060 179 HA ALA 37 HA ALA 37 22.370 1.726 2.599 180 HB1 ALA 37 HB1 ALA 37 23.889 3.589 2.978 181 HB2 ALA 37 HB2 ALA 37 25.220 2.666 2.283 182 HB3 ALA 37 HB3 ALA 37 24.475 2.138 3.790 183 H HIS 38 HN HIS 38 24.650 1.460 -0.054 184 HA HIS 38 HA HIS 38 23.578 3.566 -1.621 185 HB2 HIS 38 HB2 HIS 38 24.838 2.530 -3.489 186 HB3 HIS 38 HB1 HIS 38 25.823 2.738 -2.050 187 HD1 HIS 38 HD1 HIS 38 26.945 0.685 -1.122 188 HD2 HIS 38 HD2 HIS 38 24.063 -0.221 -3.982 189 HE1 HIS 38 HE1 HIS 38 27.155 -1.782 -1.541 190 HE2 HIS 38 HE2 HIS 38 25.484 -2.286 -3.356 191 H ALA 39 HN ALA 39 22.308 0.597 -0.786 192 HA ALA 39 HA ALA 39 20.354 0.771 -2.968 193 HB1 ALA 39 HB1 ALA 39 21.532 -1.792 -1.898 194 HB2 ALA 39 HB2 ALA 39 21.885 -1.076 -3.472 195 HB3 ALA 39 HB3 ALA 39 20.260 -1.663 -3.113 196 H LYS 40 HN LYS 40 20.330 1.751 -0.224 197 HA LYS 40 HA LYS 40 18.698 -0.042 1.310 198 HB2 LYS 40 HB2 LYS 40 20.374 1.830 2.124 199 HB3 LYS 40 HB1 LYS 40 18.924 2.818 2.061 200 HG2 LYS 40 HG2 LYS 40 19.294 1.915 4.292 201 HG3 LYS 40 HG1 LYS 40 17.793 1.322 3.591 202 HD2 LYS 40 HD2 LYS 40 18.735 -0.801 3.140 203 HD3 LYS 40 HD1 LYS 40 20.371 -0.222 3.457 204 HE2 LYS 40 HE2 LYS 40 19.549 -1.584 5.301 205 HE3 LYS 40 HE1 LYS 40 19.808 0.080 5.813 206 HZ1 LYS 40 HZ1 LYS 40 17.744 -0.800 6.683 207 HZ2 LYS 40 HZ2 LYS 40 17.179 -1.131 5.123 208 HZ3 LYS 40 HZ3 LYS 40 17.432 0.472 5.616 209 H ARG 41 HN ARG 41 17.738 0.985 -1.313 210 HA ARG 41 HA ARG 41 15.414 2.565 -0.567 211 HB2 ARG 41 HB2 ARG 41 16.023 1.303 -3.245 212 HB3 ARG 41 HB1 ARG 41 14.791 2.505 -2.914 213 HG2 ARG 41 HG2 ARG 41 16.570 4.106 -2.292 214 HG3 ARG 41 HG1 ARG 41 17.771 2.902 -2.764 215 HD2 ARG 41 HD2 ARG 41 15.652 4.049 -4.578 216 HD3 ARG 41 HD1 ARG 41 17.333 4.574 -4.528 217 HE ARG 41 HE ARG 41 17.656 1.997 -5.038 218 HH11 ARG 41 HH11 ARG 41 15.392 4.280 -6.421 219 HH12 ARG 41 HH12 ARG 41 15.335 3.488 -7.962 220 HH21 ARG 41 HH21 ARG 41 17.585 0.951 -7.080 221 HH22 ARG 41 HH22 ARG 41 16.591 1.606 -8.341 222 H PHE 42 HN PHE 42 13.462 1.807 -0.214 223 HA PHE 42 HA PHE 42 13.199 -1.127 -0.091 224 HB2 PHE 42 HB2 PHE 42 11.470 0.769 1.470 225 HB3 PHE 42 HB1 PHE 42 11.861 -0.909 1.823 226 HD1 PHE 42 HD1 PHE 42 14.617 -1.194 1.995 227 HD2 PHE 42 HD2 PHE 42 12.306 2.248 2.957 228 HE1 PHE 42 HE1 PHE 42 16.397 -0.415 3.497 229 HE2 PHE 42 HE2 PHE 42 14.074 3.020 4.465 230 HZ PHE 42 HZ PHE 42 16.122 1.690 4.744 231 H THR 43 HN THR 43 11.312 -2.126 -0.656 232 HA THR 43 HA THR 43 9.321 -0.511 -2.091 233 HB THR 43 HB THR 43 10.377 -3.211 -2.966 234 HG1 THR 43 HG1 THR 43 11.087 -0.580 -3.568 235 HG21 THR 43 HG21 THR 43 8.041 -2.839 -3.583 236 HG22 THR 43 HG22 THR 43 9.083 -2.790 -5.005 237 HG23 THR 43 HG23 THR 43 8.472 -1.289 -4.307 238 H PHE 44 HN PHE 44 7.213 -0.976 -1.496 239 HA PHE 44 HA PHE 44 6.739 -3.405 0.039 240 HB2 PHE 44 HB2 PHE 44 6.826 -2.144 1.934 241 HB3 PHE 44 HB1 PHE 44 6.804 -0.636 1.024 242 HD1 PHE 44 HD2 PHE 44 4.643 -3.347 2.288 243 HD2 PHE 44 HD1 PHE 44 4.905 0.687 0.993 244 HE1 PHE 44 HE2 PHE 44 2.358 -2.944 3.079 245 HE2 PHE 44 HE1 PHE 44 2.625 1.096 1.797 246 HZ PHE 44 HZ PHE 44 1.282 -0.733 2.633 247 H GLY 45 HN GLY 45 4.443 -3.978 0.071 248 HA2 GLY 45 HA2 GLY 45 2.859 -2.532 -1.963 249 HA3 GLY 45 HA1 GLY 45 2.924 -4.287 -1.916 250 H VAL 46 HN VAL 46 0.711 -2.192 -1.513 251 HA VAL 46 HA VAL 46 -0.158 -2.950 1.212 252 HB VAL 46 HB VAL 46 -1.737 -0.973 -0.318 253 HG11 VAL 46 HG11 VAL 46 -2.397 -1.498 1.903 254 HG12 VAL 46 HG12 VAL 46 -1.773 0.152 1.896 255 HG13 VAL 46 HG13 VAL 46 -0.780 -1.163 2.522 256 HG21 VAL 46 HG21 VAL 46 1.004 -0.284 0.693 257 HG22 VAL 46 HG22 VAL 46 -0.236 0.896 0.270 258 HG23 VAL 46 HG23 VAL 46 0.415 -0.181 -0.966 259 H ARG 47 HN ARG 47 -2.441 -3.597 1.460 260 HA ARG 47 HA ARG 47 -3.970 -3.972 -0.960 261 HB2 ARG 47 HB2 ARG 47 -4.544 -6.331 -0.267 262 HB3 ARG 47 HB1 ARG 47 -2.910 -6.116 -0.875 263 HG2 ARG 47 HG2 ARG 47 -2.103 -6.063 1.467 264 HG3 ARG 47 HG1 ARG 47 -3.749 -6.388 2.003 265 HD2 ARG 47 HD2 ARG 47 -2.555 -8.457 1.972 266 HD3 ARG 47 HD1 ARG 47 -3.715 -8.470 0.646 267 HE ARG 47 HE ARG 47 -0.893 -7.779 0.177 268 HH11 ARG 47 HH11 ARG 47 -3.693 -9.774 -0.498 269 HH12 ARG 47 HH12 ARG 47 -2.933 -10.617 -1.804 270 HH21 ARG 47 HH21 ARG 47 0.122 -8.912 -1.523 271 HH22 ARG 47 HH22 ARG 47 -0.768 -10.139 -2.378 272 H VAL 48 HN VAL 48 -6.205 -4.074 -0.549 273 HA VAL 48 HA VAL 48 -6.997 -3.482 2.240 274 HB VAL 48 HB VAL 48 -8.003 -2.177 -0.299 275 HG11 VAL 48 HG11 VAL 48 -9.014 -1.801 2.512 276 HG12 VAL 48 HG12 VAL 48 -9.878 -2.619 1.211 277 HG13 VAL 48 HG13 VAL 48 -9.528 -0.894 1.090 278 HG21 VAL 48 HG21 VAL 48 -7.141 -0.147 0.612 279 HG22 VAL 48 HG22 VAL 48 -5.861 -1.357 0.712 280 HG23 VAL 48 HG23 VAL 48 -6.783 -0.927 2.150 281 H ASN 49 HN ASN 49 -9.173 -4.120 2.828 282 HA ASN 49 HA ASN 49 -10.007 -6.526 1.397 283 HB2 ASN 49 HB2 ASN 49 -9.664 -6.622 3.861 284 HB3 ASN 49 HB1 ASN 49 -10.973 -5.463 4.058 285 HD21 ASN 49 HD21 ASN 49 -10.140 -8.725 3.194 286 HD22 ASN 49 HD22 ASN 49 -11.741 -9.370 3.281 287 H THR 50 HN THR 50 -10.909 -5.525 -0.330 288 HA THR 50 HA THR 50 -13.107 -3.674 -0.089 289 HB THR 50 HB THR 50 -13.538 -4.114 -2.515 290 HG1 THR 50 HG1 THR 50 -11.321 -5.882 -2.172 291 HG21 THR 50 HG21 THR 50 -10.709 -3.411 -1.751 292 HG22 THR 50 HG22 THR 50 -12.080 -2.305 -1.821 293 HG23 THR 50 HG23 THR 50 -11.469 -3.048 -3.299 294 H SER 51 HN SER 51 -14.975 -4.197 0.701 295 HA SER 51 HA SER 51 -15.856 -6.690 1.412 296 HB2 SER 51 HB2 SER 51 -16.760 -4.463 2.163 297 HB3 SER 51 HB1 SER 51 -17.680 -4.401 0.660 298 HG SER 51 HG SER 51 -19.033 -5.281 2.142 299 H ASP 52 HN ASP 52 -16.156 -5.161 -1.711 300 HA ASP 52 HA ASP 52 -18.160 -6.966 -2.683 301 HB2 ASP 52 HB2 ASP 52 -17.837 -5.811 -4.815 302 HB3 ASP 52 HB1 ASP 52 -18.046 -4.682 -3.483 303 H ARG 53 HN ARG 53 -14.669 -7.072 -2.556 304 HA ARG 53 HA ARG 53 -14.709 -9.340 -4.429 305 HB2 ARG 53 HB2 ARG 53 -13.944 -7.279 -5.597 306 HB3 ARG 53 HB1 ARG 53 -12.620 -7.165 -4.443 307 HG2 ARG 53 HG2 ARG 53 -11.641 -8.207 -6.262 308 HG3 ARG 53 HG1 ARG 53 -12.056 -9.547 -5.190 309 HD2 ARG 53 HD2 ARG 53 -14.097 -9.947 -6.477 310 HD3 ARG 53 HD1 ARG 53 -13.662 -8.629 -7.566 311 HE ARG 53 HE ARG 53 -11.531 -10.440 -7.489 312 HH11 ARG 53 HH11 ARG 53 -14.834 -10.274 -8.627 313 HH12 ARG 53 HH12 ARG 53 -14.596 -11.443 -9.886 314 HH21 ARG 53 HH21 ARG 53 -11.206 -11.972 -9.146 315 HH22 ARG 53 HH22 ARG 53 -12.525 -12.405 -10.188 316 H GLY 54 HN GLY 54 -12.933 -7.598 -1.929 317 HA2 GLY 54 HA2 GLY 54 -12.163 -8.989 -0.033 318 HA3 GLY 54 HA1 GLY 54 -11.553 -10.102 -1.242 319 H TRP 55 HN TRP 55 -9.478 -9.919 -0.284 320 HA TRP 55 HA TRP 55 -7.952 -7.630 -0.065 321 HB2 TRP 55 HB2 TRP 55 -7.304 -10.478 -0.656 322 HB3 TRP 55 HB1 TRP 55 -6.040 -9.282 -0.886 323 HD1 TRP 55 HD1 TRP 55 -6.754 -11.675 1.537 324 HE1 TRP 55 HE1 TRP 55 -6.115 -10.957 3.927 325 HE3 TRP 55 HE3 TRP 55 -6.441 -6.629 0.817 326 HZ2 TRP 55 HZ2 TRP 55 -5.543 -8.558 5.302 327 HZ3 TRP 55 HZ3 TRP 55 -5.833 -5.203 2.722 328 HH2 TRP 55 HH2 TRP 55 -5.409 -6.137 4.921 329 H THR 56 HN THR 56 -7.428 -6.120 -1.449 330 HA THR 56 HA THR 56 -7.877 -6.328 -4.249 331 HB THR 56 HB THR 56 -6.739 -4.106 -4.353 332 HG1 THR 56 HG1 THR 56 -5.404 -3.784 -2.735 333 HG21 THR 56 HG21 THR 56 -8.875 -4.380 -2.246 334 HG22 THR 56 HG22 THR 56 -9.147 -4.281 -3.985 335 HG23 THR 56 HG23 THR 56 -8.466 -2.904 -3.120 336 H ASP 57 HN ASP 57 -6.253 -5.981 -5.919 337 HA ASP 57 HA ASP 57 -4.014 -7.656 -5.713 338 HB2 ASP 57 HB2 ASP 57 -3.280 -6.646 -7.845 339 HB3 ASP 57 HB1 ASP 57 -4.970 -7.119 -7.884 340 H GLU 58 HN GLU 58 -2.048 -7.347 -5.021 341 HA GLU 58 HA GLU 58 -1.546 -5.413 -3.113 342 HB2 GLU 58 HB2 GLU 58 -0.449 -7.678 -3.456 343 HB3 GLU 58 HB1 GLU 58 0.590 -6.884 -4.624 344 HG2 GLU 58 HG2 GLU 58 1.459 -5.426 -2.917 345 HG3 GLU 58 HG1 GLU 58 0.353 -6.117 -1.729 346 H CYS 59 HN CYS 59 -0.976 -3.397 -3.207 347 HA CYS 59 HA CYS 59 -0.153 -2.254 -5.769 348 HB2 CYS 59 HB2 CYS 59 -0.994 -0.855 -3.222 349 HB3 CYS 59 HB1 CYS 59 -0.760 -0.106 -4.798 350 HG CYS 59 HG CYS 59 -2.955 -2.601 -4.925 351 H ILE 60 HN ILE 60 1.978 -2.621 -5.955 352 HA ILE 60 HA ILE 60 3.811 -2.301 -3.776 353 HB ILE 60 HB ILE 60 4.066 -2.963 -6.695 354 HG12 ILE 60 HG12 ILE 60 5.089 -5.001 -5.848 355 HG13 ILE 60 HG11 ILE 60 5.011 -4.389 -4.202 356 HG21 ILE 60 HG21 ILE 60 5.901 -1.449 -6.293 357 HG22 ILE 60 HG22 ILE 60 6.499 -3.099 -6.459 358 HG23 ILE 60 HG23 ILE 60 6.371 -2.363 -4.862 359 HD11 ILE 60 HD11 ILE 60 2.689 -5.086 -5.976 360 HD12 ILE 60 HD12 ILE 60 2.566 -4.388 -4.363 361 HD13 ILE 60 HD13 ILE 60 3.266 -5.992 -4.577 362 H GLY 61 HN GLY 61 4.769 -0.541 -3.157 363 HA2 GLY 61 HA2 GLY 61 4.390 1.940 -4.585 364 HA3 GLY 61 HA1 GLY 61 5.161 1.739 -3.020 365 H GLU 62 HN GLU 62 6.461 3.444 -4.251 366 HA GLU 62 HA GLU 62 8.298 2.420 -6.244 367 HB2 GLU 62 HB2 GLU 62 8.244 5.143 -4.934 368 HB3 GLU 62 HB1 GLU 62 9.025 4.706 -6.448 369 HG2 GLU 62 HG2 GLU 62 6.857 4.301 -7.471 370 HG3 GLU 62 HG1 GLU 62 6.053 4.690 -5.951 371 HA PRO 63 HA PRO 63 11.659 1.385 -3.496 372 HB2 PRO 63 HB2 PRO 63 13.350 2.786 -5.504 373 HB3 PRO 63 HB1 PRO 63 13.505 1.152 -4.850 374 HG2 PRO 63 HG2 PRO 63 12.587 1.559 -7.322 375 HG3 PRO 63 HG1 PRO 63 11.915 0.282 -6.293 376 HD2 PRO 63 HD2 PRO 63 10.770 2.944 -7.003 377 HD3 PRO 63 HD1 PRO 63 9.950 1.391 -6.751 378 H MET 64 HN MET 64 11.604 2.630 -1.691 379 HA MET 64 HA MET 64 12.285 5.479 -1.952 380 HB2 MET 64 HB2 MET 64 10.420 4.002 -0.119 381 HB3 MET 64 HB1 MET 64 11.038 5.591 0.301 382 HG2 MET 64 HG2 MET 64 9.465 4.923 -2.172 383 HG3 MET 64 HG1 MET 64 8.832 5.702 -0.724 384 HE1 MET 64 HE1 MET 64 8.777 8.715 -3.124 385 HE2 MET 64 HE2 MET 64 7.927 7.865 -1.833 386 HE3 MET 64 HE3 MET 64 8.257 7.047 -3.363 387 HA PRO 65 HA PRO 65 15.773 4.585 0.628 388 HB2 PRO 65 HB2 PRO 65 16.506 7.099 1.231 389 HB3 PRO 65 HB1 PRO 65 16.689 6.438 -0.398 390 HG2 PRO 65 HG2 PRO 65 14.538 8.219 0.692 391 HG3 PRO 65 HG1 PRO 65 15.409 8.336 -0.848 392 HD2 PRO 65 HD2 PRO 65 12.917 7.252 -0.621 393 HD3 PRO 65 HD1 PRO 65 14.092 6.742 -1.853 394 H SER 66 HN SER 66 12.831 5.352 1.827 395 HA SER 66 HA SER 66 13.730 5.050 4.554 396 HB2 SER 66 HB2 SER 66 13.714 7.476 4.359 397 HB3 SER 66 HB1 SER 66 12.106 7.442 3.641 398 HG SER 66 HG SER 66 12.785 7.512 6.226 399 H VAL 67 HN VAL 67 12.211 3.996 5.795 400 HA VAL 67 HA VAL 67 10.346 2.440 4.309 401 HB VAL 67 HB VAL 67 9.715 1.437 6.473 402 HG11 VAL 67 HG11 VAL 67 11.923 0.504 7.033 403 HG12 VAL 67 HG12 VAL 67 12.680 1.747 6.038 404 HG13 VAL 67 HG13 VAL 67 11.626 0.543 5.296 405 HG21 VAL 67 HG21 VAL 67 11.613 3.462 7.649 406 HG22 VAL 67 HG22 VAL 67 10.882 2.116 8.521 407 HG23 VAL 67 HG23 VAL 67 9.869 3.412 7.884 408 H LYS 68 HN LYS 68 10.082 5.418 6.015 409 HA LYS 68 HA LYS 68 7.306 5.181 6.672 410 HB2 LYS 68 HB2 LYS 68 9.113 7.601 6.541 411 HB3 LYS 68 HB1 LYS 68 7.485 7.594 7.207 412 HG2 LYS 68 HG2 LYS 68 8.171 6.020 8.922 413 HG3 LYS 68 HG1 LYS 68 9.796 5.966 8.241 414 HD2 LYS 68 HD2 LYS 68 10.106 8.323 8.735 415 HD3 LYS 68 HD1 LYS 68 8.453 8.431 9.344 416 HE2 LYS 68 HE2 LYS 68 9.007 6.815 11.101 417 HE3 LYS 68 HE1 LYS 68 10.661 6.732 10.501 418 HZ1 LYS 68 HZ1 LYS 68 10.954 9.050 11.034 419 HZ2 LYS 68 HZ2 LYS 68 10.427 8.219 12.409 420 HZ3 LYS 68 HZ3 LYS 68 9.344 9.180 11.537 421 H LYS 69 HN LYS 69 9.168 6.771 4.121 422 HA LYS 69 HA LYS 69 6.776 7.753 2.840 423 HB2 LYS 69 HB2 LYS 69 8.276 8.650 1.126 424 HB3 LYS 69 HB1 LYS 69 8.777 9.130 2.742 425 HG2 LYS 69 HG2 LYS 69 10.384 7.173 2.642 426 HG3 LYS 69 HG1 LYS 69 10.023 7.114 0.921 427 HD2 LYS 69 HD2 LYS 69 11.087 9.538 2.370 428 HD3 LYS 69 HD1 LYS 69 12.080 8.402 1.465 429 HE2 LYS 69 HE2 LYS 69 11.739 10.165 -0.024 430 HE3 LYS 69 HE1 LYS 69 10.563 8.954 -0.526 431 HZ1 LYS 69 HZ1 LYS 69 8.838 10.173 0.604 432 HZ2 LYS 69 HZ2 LYS 69 9.643 11.209 -0.456 433 HZ3 LYS 69 HZ3 LYS 69 9.953 11.294 1.201 434 H ALA 70 HN ALA 70 8.739 4.948 2.769 435 HA ALA 70 HA ALA 70 8.130 3.884 0.274 436 HB1 ALA 70 HB1 ALA 70 8.368 2.375 2.878 437 HB2 ALA 70 HB2 ALA 70 9.726 2.874 1.868 438 HB3 ALA 70 HB3 ALA 70 8.551 1.707 1.256 439 H LYS 71 HN LYS 71 6.411 3.281 3.355 440 HA LYS 71 HA LYS 71 4.155 2.048 2.419 441 HB2 LYS 71 HB2 LYS 71 4.348 4.090 4.643 442 HB3 LYS 71 HB1 LYS 71 2.995 2.995 4.394 443 HG2 LYS 71 HG2 LYS 71 4.438 1.082 4.794 444 HG3 LYS 71 HG1 LYS 71 5.828 2.153 4.979 445 HD2 LYS 71 HD2 LYS 71 5.022 1.503 7.162 446 HD3 LYS 71 HD1 LYS 71 4.702 3.219 6.908 447 HE2 LYS 71 HE2 LYS 71 2.379 2.671 6.297 448 HE3 LYS 71 HE1 LYS 71 2.713 0.969 6.610 449 HZ1 LYS 71 HZ1 LYS 71 2.920 3.137 8.627 450 HZ2 LYS 71 HZ2 LYS 71 3.138 1.484 8.910 451 HZ3 LYS 71 HZ3 LYS 71 1.615 2.074 8.478 452 H ASP 72 HN ASP 72 4.697 5.550 2.759 453 HA ASP 72 HA ASP 72 2.276 6.494 1.875 454 HB2 ASP 72 HB2 ASP 72 5.041 7.629 1.566 455 HB3 ASP 72 HB1 ASP 72 3.623 8.487 0.976 456 H SER 73 HN SER 73 5.106 5.752 -0.218 457 HA SER 73 HA SER 73 3.891 6.653 -2.571 458 HB2 SER 73 HB2 SER 73 5.643 5.384 -3.748 459 HB3 SER 73 HB1 SER 73 6.303 6.299 -2.395 460 HG SER 73 HG SER 73 6.027 4.227 -1.190 461 H ALA 74 HN ALA 74 3.894 3.457 -1.047 462 HA ALA 74 HA ALA 74 2.540 2.152 -3.196 463 HB1 ALA 74 HB1 ALA 74 2.285 0.313 -1.689 464 HB2 ALA 74 HB2 ALA 74 2.577 1.347 -0.291 465 HB3 ALA 74 HB3 ALA 74 3.885 1.007 -1.428 466 H ALA 75 HN ALA 75 1.524 3.540 -0.128 467 HA ALA 75 HA ALA 75 -1.197 3.010 -0.194 468 HB1 ALA 75 HB1 ALA 75 -1.460 4.859 1.354 469 HB2 ALA 75 HB2 ALA 75 0.136 5.472 0.926 470 HB3 ALA 75 HB3 ALA 75 -0.020 3.922 1.753 471 H VAL 76 HN VAL 76 0.592 5.618 -1.822 472 HA VAL 76 HA VAL 76 -1.668 7.117 -2.619 473 HB VAL 76 HB VAL 76 1.063 6.916 -3.904 474 HG11 VAL 76 HG11 VAL 76 0.509 9.039 -5.008 475 HG12 VAL 76 HG12 VAL 76 -1.131 8.936 -4.366 476 HG13 VAL 76 HG13 VAL 76 -0.559 7.734 -5.522 477 HG21 VAL 76 HG21 VAL 76 -0.106 8.956 -2.015 478 HG22 VAL 76 HG22 VAL 76 1.490 9.041 -2.765 479 HG23 VAL 76 HG23 VAL 76 1.120 7.752 -1.619 480 H LEU 77 HN LEU 77 0.020 4.383 -4.037 481 HA LEU 77 HA LEU 77 -1.454 4.443 -6.510 482 HB2 LEU 77 HB2 LEU 77 0.261 2.281 -5.280 483 HB3 LEU 77 HB1 LEU 77 -0.354 2.275 -6.917 484 HG LEU 77 HG LEU 77 1.586 4.305 -5.812 485 HD11 LEU 77 HD11 LEU 77 3.242 3.200 -7.203 486 HD12 LEU 77 HD12 LEU 77 2.050 1.995 -7.689 487 HD13 LEU 77 HD13 LEU 77 2.582 2.084 -6.009 488 HD21 LEU 77 HD21 LEU 77 0.570 3.842 -8.613 489 HD22 LEU 77 HD22 LEU 77 1.838 4.979 -8.155 490 HD23 LEU 77 HD23 LEU 77 0.188 5.218 -7.578 491 H LEU 78 HN LEU 78 -1.661 2.974 -3.407 492 HA LEU 78 HA LEU 78 -3.771 1.167 -3.900 493 HB2 LEU 78 HB2 LEU 78 -2.314 1.074 -1.948 494 HB3 LEU 78 HB1 LEU 78 -2.942 2.614 -1.402 495 HG LEU 78 HG LEU 78 -5.225 1.428 -1.369 496 HD11 LEU 78 HD11 LEU 78 -5.134 -0.964 -0.991 497 HD12 LEU 78 HD12 LEU 78 -3.394 -0.961 -1.255 498 HD13 LEU 78 HD13 LEU 78 -4.486 -0.570 -2.582 499 HD21 LEU 78 HD21 LEU 78 -4.679 0.516 0.915 500 HD22 LEU 78 HD22 LEU 78 -4.227 2.197 0.627 501 HD23 LEU 78 HD23 LEU 78 -2.993 0.938 0.584 502 H LEU 79 HN LEU 79 -3.751 4.440 -2.497 503 HA LEU 79 HA LEU 79 -6.452 4.658 -1.921 504 HB2 LEU 79 HB2 LEU 79 -4.193 6.515 -2.320 505 HB3 LEU 79 HB1 LEU 79 -5.790 7.219 -2.416 506 HG LEU 79 HG LEU 79 -6.278 6.713 -0.167 507 HD11 LEU 79 HD11 LEU 79 -5.502 4.407 -0.102 508 HD12 LEU 79 HD12 LEU 79 -4.858 5.323 1.261 509 HD13 LEU 79 HD13 LEU 79 -3.827 4.959 -0.122 510 HD21 LEU 79 HD21 LEU 79 -4.741 8.572 -0.430 511 HD22 LEU 79 HD22 LEU 79 -3.367 7.471 -0.336 512 HD23 LEU 79 HD23 LEU 79 -4.409 7.705 1.068 513 H GLU 80 HN GLU 80 -4.831 5.089 -4.968 514 HA GLU 80 HA GLU 80 -7.071 6.412 -6.195 515 HB2 GLU 80 HB2 GLU 80 -5.874 5.832 -8.361 516 HB3 GLU 80 HB1 GLU 80 -5.049 6.925 -7.245 517 HG2 GLU 80 HG2 GLU 80 -3.711 5.078 -6.437 518 HG3 GLU 80 HG1 GLU 80 -4.527 3.982 -7.548 519 H LEU 81 HN LEU 81 -6.000 3.127 -5.802 520 HA LEU 81 HA LEU 81 -7.593 1.920 -7.798 521 HB2 LEU 81 HB2 LEU 81 -5.593 1.112 -6.152 522 HB3 LEU 81 HB1 LEU 81 -6.978 0.401 -5.355 523 HG LEU 81 HG LEU 81 -6.095 -0.087 -8.185 524 HD11 LEU 81 HD11 LEU 81 -6.132 -1.869 -5.757 525 HD12 LEU 81 HD12 LEU 81 -4.703 -1.186 -6.530 526 HD13 LEU 81 HD13 LEU 81 -5.689 -2.369 -7.388 527 HD21 LEU 81 HD21 LEU 81 -8.531 -0.134 -8.041 528 HD22 LEU 81 HD22 LEU 81 -8.437 -1.262 -6.689 529 HD23 LEU 81 HD23 LEU 81 -7.882 -1.755 -8.288 530 H LEU 82 HN LEU 82 -7.981 2.285 -4.305 531 HA LEU 82 HA LEU 82 -10.528 1.067 -4.167 532 HB2 LEU 82 HB2 LEU 82 -9.181 2.972 -2.257 533 HB3 LEU 82 HB1 LEU 82 -10.702 2.178 -1.931 534 HG LEU 82 HG LEU 82 -9.302 0.787 -0.810 535 HD11 LEU 82 HD11 LEU 82 -9.087 -0.342 -3.585 536 HD12 LEU 82 HD12 LEU 82 -10.471 -0.519 -2.507 537 HD13 LEU 82 HD13 LEU 82 -8.918 -1.230 -2.069 538 HD21 LEU 82 HD21 LEU 82 -7.208 1.285 -2.901 539 HD22 LEU 82 HD22 LEU 82 -7.019 0.241 -1.494 540 HD23 LEU 82 HD23 LEU 82 -7.275 1.973 -1.278 541 H ASN 83 HN ASN 83 -9.498 4.312 -4.849 542 HA ASN 83 HA ASN 83 -12.182 5.374 -4.533 543 HB2 ASN 83 HB2 ASN 83 -10.007 6.633 -3.992 544 HB3 ASN 83 HB1 ASN 83 -9.813 6.808 -5.731 545 HD21 ASN 83 HD21 ASN 83 -12.894 6.887 -4.042 546 HD22 ASN 83 HD22 ASN 83 -13.230 8.551 -4.361 547 H LYS 84 HN LYS 84 -10.727 3.503 -6.682 548 HA LYS 84 HA LYS 84 -11.282 2.692 -8.688 549 HB2 LYS 84 HB2 LYS 84 -13.465 4.579 -8.147 550 HB3 LYS 84 HB1 LYS 84 -13.314 3.990 -9.800 551 HG2 LYS 84 HG2 LYS 84 -13.593 1.730 -9.075 552 HG3 LYS 84 HG1 LYS 84 -13.477 2.205 -7.379 553 HD2 LYS 84 HD2 LYS 84 -15.661 3.080 -9.268 554 HD3 LYS 84 HD1 LYS 84 -15.802 1.753 -8.115 555 HE2 LYS 84 HE2 LYS 84 -15.307 4.656 -7.460 556 HE3 LYS 84 HE1 LYS 84 -16.810 3.770 -7.214 557 HZ1 LYS 84 HZ1 LYS 84 -15.701 2.360 -5.615 558 HZ2 LYS 84 HZ2 LYS 84 -15.515 3.983 -5.171 559 HZ3 LYS 84 HZ3 LYS 84 -14.229 3.149 -5.881 560 H THR 85 HN THR 85 -9.986 2.951 -10.353 561 HA THR 85 HA THR 85 -9.629 5.578 -11.518 562 HB THR 85 HB THR 85 -7.909 5.637 -9.889 563 HG1 THR 85 HG1 THR 85 -6.094 4.838 -11.702 564 HG21 THR 85 HG21 THR 85 -6.211 3.835 -9.672 565 HG22 THR 85 HG22 THR 85 -7.182 2.848 -10.763 566 HG23 THR 85 HG23 THR 85 -7.838 3.341 -9.200 Start of MODEL 15 1 H1 ASN 15 HT1 ASN 15 -5.810 7.084 6.327 2 H2 ASN 15 HT2 ASN 15 -5.950 6.524 4.736 3 H3 ASN 15 HT3 ASN 15 -4.712 5.945 5.729 4 HA ASN 15 HA ASN 15 -6.417 4.303 5.531 5 HB2 ASN 15 HB2 ASN 15 -6.851 3.902 7.890 6 HB3 ASN 15 HB1 ASN 15 -5.210 4.503 7.681 7 HD21 ASN 15 HD21 ASN 15 -7.040 4.533 9.998 8 HD22 ASN 15 HD22 ASN 15 -7.145 6.195 10.476 9 H ASP 16 HN ASP 16 -7.612 7.487 5.756 10 HA ASP 16 HA ASP 16 -10.153 7.012 6.897 11 HB2 ASP 16 HB2 ASP 16 -9.153 9.239 5.117 12 HB3 ASP 16 HB1 ASP 16 -10.742 9.229 5.877 13 H ILE 17 HN ILE 17 -9.022 7.084 3.539 14 HA ILE 17 HA ILE 17 -11.450 6.838 2.238 15 HB ILE 17 HB ILE 17 -8.752 5.719 1.499 16 HG12 ILE 17 HG12 ILE 17 -8.943 7.527 -0.261 17 HG13 ILE 17 HG11 ILE 17 -10.366 8.099 0.592 18 HG21 ILE 17 HG21 ILE 17 -11.254 5.727 -0.183 19 HG22 ILE 17 HG22 ILE 17 -10.422 4.306 0.448 20 HG23 ILE 17 HG23 ILE 17 -9.634 5.324 -0.757 21 HD11 ILE 17 HD11 ILE 17 -8.341 9.369 1.133 22 HD12 ILE 17 HD12 ILE 17 -7.622 7.897 1.789 23 HD13 ILE 17 HD13 ILE 17 -9.063 8.585 2.539 24 H CYS 18 HN CYS 18 -9.431 4.369 3.699 25 HA CYS 18 HA CYS 18 -11.073 2.170 2.868 26 HB2 CYS 18 HB2 CYS 18 -8.598 2.060 3.372 27 HB3 CYS 18 HB1 CYS 18 -9.002 2.236 5.074 28 HG CYS 18 HG CYS 18 -9.635 -0.230 5.541 29 H LEU 19 HN LEU 19 -10.677 4.144 5.729 30 HA LEU 19 HA LEU 19 -12.273 2.730 7.546 31 HB2 LEU 19 HB2 LEU 19 -10.744 4.634 8.044 32 HB3 LEU 19 HB1 LEU 19 -11.925 5.713 7.349 33 HG LEU 19 HG LEU 19 -13.553 4.934 9.094 34 HD11 LEU 19 HD11 LEU 19 -12.470 2.816 9.640 35 HD12 LEU 19 HD12 LEU 19 -12.664 3.826 11.071 36 HD13 LEU 19 HD13 LEU 19 -11.085 3.688 10.298 37 HD21 LEU 19 HD21 LEU 19 -11.006 6.236 10.052 38 HD22 LEU 19 HD22 LEU 19 -12.561 6.289 10.880 39 HD23 LEU 19 HD23 LEU 19 -12.376 7.052 9.300 40 H ARG 20 HN ARG 20 -13.059 5.504 5.494 41 HA ARG 20 HA ARG 20 -15.756 5.764 6.072 42 HB2 ARG 20 HB2 ARG 20 -14.457 7.406 4.824 43 HB3 ARG 20 HB1 ARG 20 -14.298 6.288 3.482 44 HG2 ARG 20 HG2 ARG 20 -16.774 6.332 3.237 45 HG3 ARG 20 HG1 ARG 20 -16.816 7.600 4.464 46 HD2 ARG 20 HD2 ARG 20 -15.426 9.022 3.079 47 HD3 ARG 20 HD1 ARG 20 -15.289 7.745 1.875 48 HE ARG 20 HE ARG 20 -18.001 8.522 2.434 49 HH11 ARG 20 HH11 ARG 20 -15.141 9.173 0.540 50 HH12 ARG 20 HH12 ARG 20 -15.999 9.974 -0.736 51 HH21 ARG 20 HH21 ARG 20 -19.155 9.569 0.751 52 HH22 ARG 20 HH22 ARG 20 -18.289 10.201 -0.614 53 H LYS 21 HN LYS 21 -14.148 3.649 3.774 54 HA LYS 21 HA LYS 21 -16.530 2.823 2.436 55 HB2 LYS 21 HB2 LYS 21 -13.662 2.271 2.286 56 HB3 LYS 21 HB1 LYS 21 -14.665 0.875 1.919 57 HG2 LYS 21 HG2 LYS 21 -14.895 3.564 0.589 58 HG3 LYS 21 HG1 LYS 21 -14.066 2.156 -0.080 59 HD2 LYS 21 HD2 LYS 21 -16.157 0.893 -0.013 60 HD3 LYS 21 HD1 LYS 21 -16.981 2.305 0.643 61 HE2 LYS 21 HE2 LYS 21 -15.652 2.093 -2.048 62 HE3 LYS 21 HE1 LYS 21 -17.384 2.112 -1.740 63 HZ1 LYS 21 HZ1 LYS 21 -17.137 4.356 -0.835 64 HZ2 LYS 21 HZ2 LYS 21 -16.627 4.276 -2.444 65 HZ3 LYS 21 HZ3 LYS 21 -15.485 4.328 -1.199 66 H ASN 22 HN ASN 22 -15.730 2.302 5.466 67 HA ASN 22 HA ASN 22 -16.357 0.918 7.090 68 HB2 ASN 22 HB2 ASN 22 -18.000 -0.413 4.935 69 HB3 ASN 22 HB1 ASN 22 -18.131 -0.685 6.659 70 HD21 ASN 22 HD21 ASN 22 -18.771 1.515 4.072 71 HD22 ASN 22 HD22 ASN 22 -19.814 2.572 4.955 72 H TRP 23 HN TRP 23 -14.064 0.406 5.327 73 HA TRP 23 HA TRP 23 -13.752 -2.486 5.699 74 HB2 TRP 23 HB2 TRP 23 -11.909 -0.509 4.330 75 HB3 TRP 23 HB1 TRP 23 -11.712 -2.254 4.361 76 HD1 TRP 23 HD1 TRP 23 -14.923 -2.759 3.622 77 HE1 TRP 23 HE1 TRP 23 -15.587 -2.469 1.136 78 HE3 TRP 23 HE3 TRP 23 -10.985 0.083 2.083 79 HZ2 TRP 23 HZ2 TRP 23 -14.525 -1.215 -1.172 80 HZ3 TRP 23 HZ3 TRP 23 -10.871 0.786 -0.261 81 HH2 TRP 23 HH2 TRP 23 -12.595 0.149 -1.859 82 HA PRO 24 HA PRO 24 -11.094 -1.697 9.204 83 HB2 PRO 24 HB2 PRO 24 -9.569 -3.909 9.185 84 HB3 PRO 24 HB1 PRO 24 -11.275 -3.957 9.637 85 HG2 PRO 24 HG2 PRO 24 -9.980 -4.690 7.051 86 HG3 PRO 24 HG1 PRO 24 -11.287 -5.512 7.918 87 HD2 PRO 24 HD2 PRO 24 -11.677 -3.848 5.779 88 HD3 PRO 24 HD1 PRO 24 -12.892 -4.131 7.039 89 H MET 25 HN MET 25 -8.622 -1.668 9.704 90 HA MET 25 HA MET 25 -7.398 0.046 7.858 91 HB2 MET 25 HB2 MET 25 -6.165 -1.523 10.119 92 HB3 MET 25 HB1 MET 25 -5.420 -0.157 9.302 93 HG2 MET 25 HG2 MET 25 -8.018 -0.013 10.808 94 HG3 MET 25 HG1 MET 25 -6.454 0.373 11.500 95 HE1 MET 25 HE1 MET 25 -8.773 1.255 8.379 96 HE2 MET 25 HE2 MET 25 -9.019 2.961 8.748 97 HE3 MET 25 HE3 MET 25 -9.544 1.727 9.893 98 HA PRO 26 HA PRO 26 -5.884 -2.759 4.760 99 HB2 PRO 26 HB2 PRO 26 -3.887 -0.568 4.476 100 HB3 PRO 26 HB1 PRO 26 -4.862 -1.366 3.241 101 HG2 PRO 26 HG2 PRO 26 -5.507 1.065 4.079 102 HG3 PRO 26 HG1 PRO 26 -6.774 -0.142 3.788 103 HD2 PRO 26 HD2 PRO 26 -5.622 0.807 6.375 104 HD3 PRO 26 HD1 PRO 26 -7.298 0.388 5.972 105 H SER 27 HN SER 27 -3.939 -3.821 4.148 106 HA SER 27 HA SER 27 -2.172 -4.348 6.396 107 HB2 SER 27 HB2 SER 27 -3.169 -6.208 5.051 108 HB3 SER 27 HB1 SER 27 -2.266 -5.632 3.663 109 HG SER 27 HG SER 27 -1.142 -6.521 6.116 110 H TYR 28 HN TYR 28 0.085 -4.005 6.336 111 HA TYR 28 HA TYR 28 1.164 -2.664 4.005 112 HB2 TYR 28 HB2 TYR 28 1.187 -1.452 6.785 113 HB3 TYR 28 HB1 TYR 28 2.229 -0.911 5.475 114 HD1 TYR 28 HD2 TYR 28 -1.202 -0.960 6.768 115 HD2 TYR 28 HD1 TYR 28 1.317 0.393 3.615 116 HE1 TYR 28 HE2 TYR 28 -2.966 0.576 6.014 117 HE2 TYR 28 HE1 TYR 28 -0.439 1.906 2.842 118 HH TYR 28 HH TYR 28 -2.898 2.114 3.000 119 H ARG 29 HN ARG 29 2.877 -3.943 3.548 120 HA ARG 29 HA ARG 29 4.670 -4.845 5.645 121 HB2 ARG 29 HB2 ARG 29 3.194 -6.771 3.826 122 HB3 ARG 29 HB1 ARG 29 4.520 -7.204 4.887 123 HG2 ARG 29 HG2 ARG 29 1.861 -6.137 5.802 124 HG3 ARG 29 HG1 ARG 29 2.328 -7.839 5.787 125 HD2 ARG 29 HD2 ARG 29 4.192 -7.303 7.307 126 HD3 ARG 29 HD1 ARG 29 3.642 -5.631 7.363 127 HE ARG 29 HE ARG 29 2.101 -7.931 8.381 128 HH11 ARG 29 HH11 ARG 29 2.889 -4.522 8.416 129 HH12 ARG 29 HH12 ARG 29 2.060 -4.215 9.909 130 HH21 ARG 29 HH21 ARG 29 0.993 -7.529 10.341 131 HH22 ARG 29 HH22 ARG 29 0.963 -5.923 10.991 132 H CYS 30 HN CYS 30 6.661 -4.437 4.841 133 HA CYS 30 HA CYS 30 7.031 -3.801 2.098 134 HB2 CYS 30 HB2 CYS 30 9.454 -3.628 2.717 135 HB3 CYS 30 HB1 CYS 30 8.379 -2.653 3.712 136 HG CYS 30 HG CYS 30 10.341 -5.242 4.565 137 H VAL 31 HN VAL 31 7.611 -5.005 0.436 138 HA VAL 31 HA VAL 31 7.901 -7.851 0.849 139 HB VAL 31 HB VAL 31 7.845 -8.022 -1.601 140 HG11 VAL 31 HG11 VAL 31 5.670 -6.324 -0.404 141 HG12 VAL 31 HG12 VAL 31 5.775 -8.084 -0.334 142 HG13 VAL 31 HG13 VAL 31 5.520 -7.274 -1.882 143 HG21 VAL 31 HG21 VAL 31 8.917 -5.912 -2.185 144 HG22 VAL 31 HG22 VAL 31 7.521 -5.028 -1.569 145 HG23 VAL 31 HG23 VAL 31 7.352 -6.072 -2.980 146 H LYS 32 HN LYS 32 9.864 -5.135 -0.187 147 HA LYS 32 HA LYS 32 12.219 -6.855 0.061 148 HB2 LYS 32 HB2 LYS 32 11.648 -6.451 -2.356 149 HB3 LYS 32 HB1 LYS 32 11.858 -4.737 -2.050 150 HG2 LYS 32 HG2 LYS 32 14.177 -5.037 -1.539 151 HG3 LYS 32 HG1 LYS 32 14.015 -6.790 -1.663 152 HD2 LYS 32 HD2 LYS 32 13.492 -6.606 -4.021 153 HD3 LYS 32 HD1 LYS 32 13.531 -4.845 -3.917 154 HE2 LYS 32 HE2 LYS 32 15.873 -6.654 -3.342 155 HE3 LYS 32 HE1 LYS 32 15.597 -5.833 -4.876 156 HZ1 LYS 32 HZ1 LYS 32 16.017 -4.513 -2.250 157 HZ2 LYS 32 HZ2 LYS 32 15.717 -3.713 -3.707 158 HZ3 LYS 32 HZ3 LYS 32 17.141 -4.601 -3.509 159 H GLU 33 HN GLU 33 13.551 -6.044 1.520 160 HA GLU 33 HA GLU 33 14.044 -3.187 1.671 161 HB2 GLU 33 HB2 GLU 33 13.531 -2.906 3.958 162 HB3 GLU 33 HB1 GLU 33 12.147 -3.738 3.272 163 HG2 GLU 33 HG2 GLU 33 14.359 -5.075 4.815 164 HG3 GLU 33 HG1 GLU 33 12.819 -4.566 5.499 165 H GLY 34 HN GLY 34 16.007 -2.661 2.903 166 HA2 GLY 34 HA2 GLY 34 17.833 -3.389 4.277 167 HA3 GLY 34 HA1 GLY 34 17.599 -5.018 3.665 168 H GLY 35 HN GLY 35 19.967 -3.249 3.789 169 HA2 GLY 35 HA2 GLY 35 21.417 -4.026 1.657 170 HA3 GLY 35 HA1 GLY 35 20.585 -2.600 1.042 171 HA PRO 36 HA PRO 36 24.741 -1.738 3.460 172 HB2 PRO 36 HB2 PRO 36 25.520 -0.228 1.163 173 HB3 PRO 36 HB1 PRO 36 26.245 -1.715 1.770 174 HG2 PRO 36 HG2 PRO 36 24.268 -1.324 -0.397 175 HG3 PRO 36 HG1 PRO 36 25.476 -2.602 -0.190 176 HD2 PRO 36 HD2 PRO 36 22.864 -3.066 0.193 177 HD3 PRO 36 HD1 PRO 36 24.100 -3.847 1.203 178 H ALA 37 HN ALA 37 23.861 0.657 1.023 179 HA ALA 37 HA ALA 37 22.270 2.203 2.872 180 HB1 ALA 37 HB1 ALA 37 24.610 2.893 3.386 181 HB2 ALA 37 HB2 ALA 37 23.588 4.206 2.810 182 HB3 ALA 37 HB3 ALA 37 24.759 3.463 1.725 183 H HIS 38 HN HIS 38 23.968 2.158 -0.237 184 HA HIS 38 HA HIS 38 22.074 3.781 -1.602 185 HB2 HIS 38 HB2 HIS 38 23.179 3.045 -3.653 186 HB3 HIS 38 HB1 HIS 38 24.381 3.447 -2.436 187 HD1 HIS 38 HD1 HIS 38 25.925 1.587 -1.645 188 HD2 HIS 38 HD2 HIS 38 23.010 0.276 -4.300 189 HE1 HIS 38 HE1 HIS 38 26.526 -0.790 -2.182 190 HE2 HIS 38 HE2 HIS 38 24.889 -1.474 -3.975 191 H ALA 39 HN ALA 39 21.848 0.697 -0.375 192 HA ALA 39 HA ALA 39 19.695 0.021 -2.249 193 HB1 ALA 39 HB1 ALA 39 20.160 -2.331 -1.889 194 HB2 ALA 39 HB2 ALA 39 21.461 -1.919 -0.776 195 HB3 ALA 39 HB3 ALA 39 21.600 -1.507 -2.484 196 H LYS 40 HN LYS 40 19.993 1.385 0.464 197 HA LYS 40 HA LYS 40 18.369 -0.216 2.215 198 HB2 LYS 40 HB2 LYS 40 20.106 1.559 2.900 199 HB3 LYS 40 HB1 LYS 40 18.843 2.732 2.551 200 HG2 LYS 40 HG2 LYS 40 18.956 2.176 4.929 201 HG3 LYS 40 HG1 LYS 40 17.407 1.731 4.220 202 HD2 LYS 40 HD2 LYS 40 17.952 -0.562 4.217 203 HD3 LYS 40 HD1 LYS 40 19.662 -0.236 4.503 204 HE2 LYS 40 HE2 LYS 40 18.518 -1.082 6.508 205 HE3 LYS 40 HE1 LYS 40 19.174 0.537 6.745 206 HZ1 LYS 40 HZ1 LYS 40 16.915 1.398 6.296 207 HZ2 LYS 40 HZ2 LYS 40 16.999 0.429 7.677 208 HZ3 LYS 40 HZ3 LYS 40 16.344 -0.195 6.251 209 H ARG 41 HN ARG 41 17.440 0.591 -0.490 210 HA ARG 41 HA ARG 41 15.210 2.362 -0.006 211 HB2 ARG 41 HB2 ARG 41 14.620 1.712 -2.397 212 HB3 ARG 41 HB1 ARG 41 16.138 2.567 -2.176 213 HG2 ARG 41 HG2 ARG 41 17.382 0.520 -2.383 214 HG3 ARG 41 HG1 ARG 41 15.891 -0.423 -2.424 215 HD2 ARG 41 HD2 ARG 41 16.878 -0.111 -4.656 216 HD3 ARG 41 HD1 ARG 41 15.266 0.586 -4.525 217 HE ARG 41 HE ARG 41 17.314 2.502 -3.988 218 HH11 ARG 41 HH11 ARG 41 15.647 0.826 -6.558 219 HH12 ARG 41 HH12 ARG 41 15.866 2.102 -7.714 220 HH21 ARG 41 HH21 ARG 41 17.629 4.180 -5.496 221 HH22 ARG 41 HH22 ARG 41 17.008 4.015 -7.107 222 H PHE 42 HN PHE 42 13.087 1.781 -0.007 223 HA PHE 42 HA PHE 42 12.615 -1.046 0.629 224 HB2 PHE 42 HB2 PHE 42 11.100 1.381 1.608 225 HB3 PHE 42 HB1 PHE 42 10.768 -0.290 2.058 226 HD1 PHE 42 HD2 PHE 42 13.222 2.449 2.332 227 HD2 PHE 42 HD1 PHE 42 12.016 -1.380 3.701 228 HE1 PHE 42 HE2 PHE 42 14.797 2.634 4.216 229 HE2 PHE 42 HE1 PHE 42 13.586 -1.209 5.597 230 HZ PHE 42 HZ PHE 42 15.070 0.813 5.768 231 H THR 43 HN THR 43 11.201 -2.144 -0.505 232 HA THR 43 HA THR 43 9.364 -0.693 -2.293 233 HB THR 43 HB THR 43 10.520 -3.451 -2.809 234 HG1 THR 43 HG1 THR 43 11.487 -0.880 -3.428 235 HG21 THR 43 HG21 THR 43 9.738 -3.039 -5.100 236 HG22 THR 43 HG22 THR 43 9.097 -1.475 -4.602 237 HG23 THR 43 HG23 THR 43 8.407 -2.960 -3.946 238 H PHE 44 HN PHE 44 7.186 -1.132 -1.790 239 HA PHE 44 HA PHE 44 6.680 -3.472 -0.138 240 HB2 PHE 44 HB2 PHE 44 6.743 -2.078 1.666 241 HB3 PHE 44 HB1 PHE 44 6.687 -0.641 0.663 242 HD1 PHE 44 HD2 PHE 44 4.524 -3.372 1.924 243 HD2 PHE 44 HD1 PHE 44 4.806 0.687 0.711 244 HE1 PHE 44 HE2 PHE 44 2.217 -2.983 2.674 245 HE2 PHE 44 HE1 PHE 44 2.508 1.079 1.475 246 HZ PHE 44 HZ PHE 44 1.157 -0.759 2.265 247 H GLY 45 HN GLY 45 4.438 -4.120 -0.179 248 HA2 GLY 45 HA2 GLY 45 2.852 -2.825 -2.309 249 HA3 GLY 45 HA1 GLY 45 2.941 -4.572 -2.128 250 H VAL 46 HN VAL 46 0.695 -2.494 -1.897 251 HA VAL 46 HA VAL 46 -0.119 -2.989 0.898 252 HB VAL 46 HB VAL 46 -1.719 -1.155 -0.785 253 HG11 VAL 46 HG11 VAL 46 -0.747 -1.190 2.052 254 HG12 VAL 46 HG12 VAL 46 -2.389 -1.411 1.452 255 HG13 VAL 46 HG13 VAL 46 -1.620 0.173 1.357 256 HG21 VAL 46 HG21 VAL 46 1.028 -0.375 0.162 257 HG22 VAL 46 HG22 VAL 46 -0.199 0.740 -0.440 258 HG23 VAL 46 HG23 VAL 46 0.480 -0.485 -1.511 259 H ARG 47 HN ARG 47 -2.355 -3.627 1.294 260 HA ARG 47 HA ARG 47 -3.945 -4.360 -0.998 261 HB2 ARG 47 HB2 ARG 47 -4.320 -6.650 -0.103 262 HB3 ARG 47 HB1 ARG 47 -2.652 -6.397 -0.602 263 HG2 ARG 47 HG2 ARG 47 -2.156 -5.893 1.827 264 HG3 ARG 47 HG1 ARG 47 -3.766 -6.513 2.181 265 HD2 ARG 47 HD2 ARG 47 -2.293 -8.319 2.508 266 HD3 ARG 47 HD1 ARG 47 -3.075 -8.615 0.957 267 HE ARG 47 HE ARG 47 -1.048 -7.902 -0.131 268 HH11 ARG 47 HH11 ARG 47 -0.802 -8.495 3.315 269 HH12 ARG 47 HH12 ARG 47 0.914 -8.729 3.280 270 HH21 ARG 47 HH21 ARG 47 1.226 -8.190 -0.179 271 HH22 ARG 47 HH22 ARG 47 2.063 -8.549 1.300 272 H VAL 48 HN VAL 48 -6.108 -4.260 -0.528 273 HA VAL 48 HA VAL 48 -6.849 -3.610 2.268 274 HB VAL 48 HB VAL 48 -7.994 -2.404 -0.259 275 HG11 VAL 48 HG11 VAL 48 -9.287 -0.959 1.234 276 HG12 VAL 48 HG12 VAL 48 -8.683 -1.862 2.622 277 HG13 VAL 48 HG13 VAL 48 -9.716 -2.658 1.433 278 HG21 VAL 48 HG21 VAL 48 -5.740 -1.599 0.404 279 HG22 VAL 48 HG22 VAL 48 -6.427 -1.081 1.943 280 HG23 VAL 48 HG23 VAL 48 -6.982 -0.350 0.440 281 H ASN 49 HN ASN 49 -9.005 -4.245 2.917 282 HA ASN 49 HA ASN 49 -9.887 -6.631 1.487 283 HB2 ASN 49 HB2 ASN 49 -9.544 -6.763 3.942 284 HB3 ASN 49 HB1 ASN 49 -10.814 -5.562 4.159 285 HD21 ASN 49 HD21 ASN 49 -12.087 -6.969 5.347 286 HD22 ASN 49 HD22 ASN 49 -12.939 -8.284 4.618 287 H THR 50 HN THR 50 -10.716 -5.526 -0.222 288 HA THR 50 HA THR 50 -12.882 -3.665 -0.016 289 HB THR 50 HB THR 50 -13.352 -4.171 -2.425 290 HG1 THR 50 HG1 THR 50 -11.170 -5.976 -2.032 291 HG21 THR 50 HG21 THR 50 -11.850 -2.374 -1.807 292 HG22 THR 50 HG22 THR 50 -11.246 -3.187 -3.252 293 HG23 THR 50 HG23 THR 50 -10.504 -3.506 -1.683 294 H SER 51 HN SER 51 -14.758 -3.992 0.647 295 HA SER 51 HA SER 51 -15.801 -6.338 1.575 296 HB2 SER 51 HB2 SER 51 -17.963 -5.049 1.591 297 HB3 SER 51 HB1 SER 51 -16.577 -4.215 2.301 298 HG SER 51 HG SER 51 -18.023 -3.069 0.684 299 H ASP 52 HN ASP 52 -15.964 -5.105 -1.702 300 HA ASP 52 HA ASP 52 -18.046 -6.956 -2.454 301 HB2 ASP 52 HB2 ASP 52 -17.783 -5.963 -4.698 302 HB3 ASP 52 HB1 ASP 52 -18.065 -4.765 -3.441 303 H ARG 53 HN ARG 53 -14.587 -7.110 -2.331 304 HA ARG 53 HA ARG 53 -14.700 -9.498 -4.028 305 HB2 ARG 53 HB2 ARG 53 -13.959 -7.693 -5.479 306 HB3 ARG 53 HB1 ARG 53 -12.691 -7.269 -4.340 307 HG2 ARG 53 HG2 ARG 53 -11.622 -9.425 -4.715 308 HG3 ARG 53 HG1 ARG 53 -12.904 -9.866 -5.847 309 HD2 ARG 53 HD2 ARG 53 -12.287 -7.976 -7.269 310 HD3 ARG 53 HD1 ARG 53 -11.004 -7.549 -6.141 311 HE ARG 53 HE ARG 53 -10.375 -10.076 -6.742 312 HH11 ARG 53 HH11 ARG 53 -11.237 -7.359 -8.764 313 HH12 ARG 53 HH12 ARG 53 -10.248 -7.870 -10.095 314 HH21 ARG 53 HH21 ARG 53 -9.088 -10.773 -8.495 315 HH22 ARG 53 HH22 ARG 53 -9.043 -9.826 -9.947 316 H GLY 54 HN GLY 54 -12.775 -7.578 -1.768 317 HA2 GLY 54 HA2 GLY 54 -11.959 -8.865 0.196 318 HA3 GLY 54 HA1 GLY 54 -11.416 -10.065 -0.961 319 H TRP 55 HN TRP 55 -9.311 -9.926 -0.184 320 HA TRP 55 HA TRP 55 -7.748 -7.652 0.012 321 HB2 TRP 55 HB2 TRP 55 -7.125 -10.511 -0.596 322 HB3 TRP 55 HB1 TRP 55 -5.855 -9.313 -0.771 323 HD1 TRP 55 HD1 TRP 55 -6.604 -11.751 1.583 324 HE1 TRP 55 HE1 TRP 55 -6.051 -11.077 4.004 325 HE3 TRP 55 HE3 TRP 55 -6.336 -6.687 0.977 326 HZ2 TRP 55 HZ2 TRP 55 -5.555 -8.700 5.451 327 HZ3 TRP 55 HZ3 TRP 55 -5.816 -5.291 2.927 328 HH2 TRP 55 HH2 TRP 55 -5.444 -6.270 5.119 329 H THR 56 HN THR 56 -7.297 -6.149 -1.387 330 HA THR 56 HA THR 56 -7.816 -6.293 -4.153 331 HB THR 56 HB THR 56 -6.555 -4.139 -4.269 332 HG1 THR 56 HG1 THR 56 -5.059 -4.163 -2.705 333 HG21 THR 56 HG21 THR 56 -8.942 -4.150 -3.771 334 HG22 THR 56 HG22 THR 56 -8.125 -2.867 -2.880 335 HG23 THR 56 HG23 THR 56 -8.591 -4.353 -2.055 336 H ASP 57 HN ASP 57 -6.195 -5.914 -5.897 337 HA ASP 57 HA ASP 57 -4.036 -7.720 -5.859 338 HB2 ASP 57 HB2 ASP 57 -4.559 -5.318 -7.622 339 HB3 ASP 57 HB1 ASP 57 -3.231 -6.438 -7.880 340 H GLU 58 HN GLU 58 -1.949 -7.484 -5.331 341 HA GLU 58 HA GLU 58 -1.282 -5.677 -3.325 342 HB2 GLU 58 HB2 GLU 58 -0.257 -7.921 -3.775 343 HB3 GLU 58 HB1 GLU 58 0.647 -7.166 -5.069 344 HG2 GLU 58 HG2 GLU 58 1.841 -5.793 -3.550 345 HG3 GLU 58 HG1 GLU 58 0.799 -6.280 -2.209 346 H CYS 59 HN CYS 59 -0.979 -3.629 -3.507 347 HA CYS 59 HA CYS 59 -0.126 -2.456 -6.036 348 HB2 CYS 59 HB2 CYS 59 -1.025 -1.087 -3.490 349 HB3 CYS 59 HB1 CYS 59 -0.776 -0.312 -5.055 350 HG CYS 59 HG CYS 59 -2.964 -2.868 -5.055 351 H ILE 60 HN ILE 60 2.028 -2.776 -6.200 352 HA ILE 60 HA ILE 60 3.800 -2.315 -3.984 353 HB ILE 60 HB ILE 60 4.482 -2.782 -6.884 354 HG12 ILE 60 HG12 ILE 60 3.089 -4.599 -5.774 355 HG13 ILE 60 HG11 ILE 60 4.639 -5.101 -6.440 356 HG21 ILE 60 HG21 ILE 60 6.091 -3.043 -4.361 357 HG22 ILE 60 HG22 ILE 60 6.292 -1.821 -5.617 358 HG23 ILE 60 HG23 ILE 60 6.644 -3.512 -5.970 359 HD11 ILE 60 HD11 ILE 60 5.622 -5.126 -4.267 360 HD12 ILE 60 HD12 ILE 60 4.136 -6.078 -4.237 361 HD13 ILE 60 HD13 ILE 60 4.161 -4.451 -3.557 362 H GLY 61 HN GLY 61 4.675 -0.431 -3.477 363 HA2 GLY 61 HA2 GLY 61 4.273 1.875 -5.179 364 HA3 GLY 61 HA1 GLY 61 4.991 1.872 -3.573 365 H GLU 62 HN GLU 62 6.422 3.428 -4.794 366 HA GLU 62 HA GLU 62 8.383 2.146 -6.520 367 HB2 GLU 62 HB2 GLU 62 8.255 5.007 -5.539 368 HB3 GLU 62 HB1 GLU 62 9.277 4.389 -6.829 369 HG2 GLU 62 HG2 GLU 62 7.214 3.805 -8.093 370 HG3 GLU 62 HG1 GLU 62 6.276 4.609 -6.836 371 HA PRO 63 HA PRO 63 11.308 1.252 -3.286 372 HB2 PRO 63 HB2 PRO 63 13.334 2.266 -5.213 373 HB3 PRO 63 HB1 PRO 63 13.261 0.715 -4.368 374 HG2 PRO 63 HG2 PRO 63 12.678 0.897 -6.966 375 HG3 PRO 63 HG1 PRO 63 11.785 -0.199 -5.896 376 HD2 PRO 63 HD2 PRO 63 10.961 2.438 -7.026 377 HD3 PRO 63 HD1 PRO 63 9.990 0.987 -6.713 378 H MET 64 HN MET 64 11.329 2.649 -1.615 379 HA MET 64 HA MET 64 12.156 5.427 -2.131 380 HB2 MET 64 HB2 MET 64 10.308 4.366 0.008 381 HB3 MET 64 HB1 MET 64 10.794 6.045 -0.179 382 HG2 MET 64 HG2 MET 64 9.202 4.429 -2.155 383 HG3 MET 64 HG1 MET 64 8.581 5.666 -1.072 384 HE1 MET 64 HE1 MET 64 8.918 8.180 -1.313 385 HE2 MET 64 HE2 MET 64 9.967 8.956 -2.500 386 HE3 MET 64 HE3 MET 64 10.669 8.008 -1.189 387 HA PRO 65 HA PRO 65 15.552 4.466 0.488 388 HB2 PRO 65 HB2 PRO 65 16.513 6.924 0.960 389 HB3 PRO 65 HB1 PRO 65 16.564 6.196 -0.650 390 HG2 PRO 65 HG2 PRO 65 14.645 8.206 0.458 391 HG3 PRO 65 HG1 PRO 65 15.422 8.162 -1.134 392 HD2 PRO 65 HD2 PRO 65 12.858 7.319 -0.659 393 HD3 PRO 65 HD1 PRO 65 13.872 6.707 -1.980 394 H SER 66 HN SER 66 12.770 5.198 1.818 395 HA SER 66 HA SER 66 13.783 5.120 4.505 396 HB2 SER 66 HB2 SER 66 12.047 7.451 3.642 397 HB3 SER 66 HB1 SER 66 12.600 7.119 5.281 398 HG SER 66 HG SER 66 14.760 7.155 3.803 399 H VAL 67 HN VAL 67 12.280 4.280 5.915 400 HA VAL 67 HA VAL 67 10.552 2.437 4.626 401 HB VAL 67 HB VAL 67 10.293 2.837 7.557 402 HG11 VAL 67 HG11 VAL 67 9.161 1.006 6.444 403 HG12 VAL 67 HG12 VAL 67 10.397 0.388 7.542 404 HG13 VAL 67 HG13 VAL 67 10.696 0.422 5.803 405 HG21 VAL 67 HG21 VAL 67 12.653 3.269 7.290 406 HG22 VAL 67 HG22 VAL 67 12.834 1.840 6.275 407 HG23 VAL 67 HG23 VAL 67 12.423 1.663 7.981 408 H LYS 68 HN LYS 68 9.962 5.366 6.495 409 HA LYS 68 HA LYS 68 7.179 4.870 6.833 410 HB2 LYS 68 HB2 LYS 68 8.759 7.430 7.092 411 HB3 LYS 68 HB1 LYS 68 7.089 7.223 7.597 412 HG2 LYS 68 HG2 LYS 68 7.768 5.541 9.216 413 HG3 LYS 68 HG1 LYS 68 9.444 5.702 8.691 414 HD2 LYS 68 HD2 LYS 68 9.445 8.040 9.399 415 HD3 LYS 68 HD1 LYS 68 7.765 7.886 9.917 416 HE2 LYS 68 HE2 LYS 68 8.446 6.146 11.522 417 HE3 LYS 68 HE1 LYS 68 10.123 6.368 11.027 418 HZ1 LYS 68 HZ1 LYS 68 9.958 8.684 11.766 419 HZ2 LYS 68 HZ2 LYS 68 9.696 7.592 13.026 420 HZ3 LYS 68 HZ3 LYS 68 8.387 8.397 12.320 421 H LYS 69 HN LYS 69 9.082 6.704 4.493 422 HA LYS 69 HA LYS 69 6.716 7.751 3.216 423 HB2 LYS 69 HB2 LYS 69 8.186 8.872 1.700 424 HB3 LYS 69 HB1 LYS 69 8.843 9.041 3.318 425 HG2 LYS 69 HG2 LYS 69 10.301 7.036 2.736 426 HG3 LYS 69 HG1 LYS 69 9.816 7.333 1.069 427 HD2 LYS 69 HD2 LYS 69 11.258 9.240 2.908 428 HD3 LYS 69 HD1 LYS 69 11.919 8.442 1.483 429 HE2 LYS 69 HE2 LYS 69 10.354 9.674 0.067 430 HE3 LYS 69 HE1 LYS 69 9.672 10.455 1.491 431 HZ1 LYS 69 HZ1 LYS 69 11.251 11.899 0.403 432 HZ2 LYS 69 HZ2 LYS 69 12.466 10.733 0.524 433 HZ3 LYS 69 HZ3 LYS 69 11.844 11.449 1.921 434 H ALA 70 HN ALA 70 8.699 4.957 2.984 435 HA ALA 70 HA ALA 70 8.129 4.120 0.387 436 HB1 ALA 70 HB1 ALA 70 9.775 3.009 1.813 437 HB2 ALA 70 HB2 ALA 70 8.590 1.859 1.185 438 HB3 ALA 70 HB3 ALA 70 8.477 2.420 2.854 439 H LYS 71 HN LYS 71 6.428 3.220 3.404 440 HA LYS 71 HA LYS 71 4.301 1.909 2.199 441 HB2 LYS 71 HB2 LYS 71 3.252 1.860 4.267 442 HB3 LYS 71 HB1 LYS 71 4.953 1.996 4.671 443 HG2 LYS 71 HG2 LYS 71 4.760 4.185 5.365 444 HG3 LYS 71 HG1 LYS 71 3.267 4.421 4.456 445 HD2 LYS 71 HD2 LYS 71 2.783 4.305 6.838 446 HD3 LYS 71 HD1 LYS 71 2.097 2.910 6.009 447 HE2 LYS 71 HE2 LYS 71 3.095 2.136 8.035 448 HE3 LYS 71 HE1 LYS 71 4.113 1.605 6.699 449 HZ1 LYS 71 HZ1 LYS 71 5.613 3.441 7.159 450 HZ2 LYS 71 HZ2 LYS 71 5.428 2.470 8.527 451 HZ3 LYS 71 HZ3 LYS 71 4.631 3.956 8.436 452 H ASP 72 HN ASP 72 4.582 5.308 3.123 453 HA ASP 72 HA ASP 72 2.097 6.198 2.328 454 HB2 ASP 72 HB2 ASP 72 4.771 7.504 2.464 455 HB3 ASP 72 HB1 ASP 72 3.473 8.357 1.639 456 H SER 73 HN SER 73 4.991 5.821 0.252 457 HA SER 73 HA SER 73 3.907 6.961 -2.044 458 HB2 SER 73 HB2 SER 73 6.302 6.468 -1.762 459 HB3 SER 73 HB1 SER 73 5.955 4.740 -1.821 460 HG SER 73 HG SER 73 5.283 6.520 -3.924 461 H ALA 74 HN ALA 74 3.850 3.584 -0.942 462 HA ALA 74 HA ALA 74 2.570 2.593 -3.296 463 HB1 ALA 74 HB1 ALA 74 3.922 1.232 -1.684 464 HB2 ALA 74 HB2 ALA 74 2.362 0.536 -2.122 465 HB3 ALA 74 HB3 ALA 74 2.561 1.338 -0.562 466 H ALA 75 HN ALA 75 1.472 3.518 -0.087 467 HA ALA 75 HA ALA 75 -1.224 2.906 -0.280 468 HB1 ALA 75 HB1 ALA 75 -1.575 4.502 1.507 469 HB2 ALA 75 HB2 ALA 75 -0.003 5.237 1.193 470 HB3 ALA 75 HB3 ALA 75 -0.096 3.578 1.796 471 H VAL 76 HN VAL 76 0.518 5.725 -1.556 472 HA VAL 76 HA VAL 76 -1.737 7.270 -2.253 473 HB VAL 76 HB VAL 76 1.004 7.189 -3.535 474 HG11 VAL 76 HG11 VAL 76 -1.172 9.263 -3.815 475 HG12 VAL 76 HG12 VAL 76 -0.649 8.140 -5.070 476 HG13 VAL 76 HG13 VAL 76 0.458 9.379 -4.477 477 HG21 VAL 76 HG21 VAL 76 -0.179 9.064 -1.490 478 HG22 VAL 76 HG22 VAL 76 1.425 9.201 -2.212 479 HG23 VAL 76 HG23 VAL 76 1.037 7.822 -1.182 480 H LEU 77 HN LEU 77 -0.056 4.644 -3.858 481 HA LEU 77 HA LEU 77 -1.458 4.891 -6.356 482 HB2 LEU 77 HB2 LEU 77 0.078 2.560 -5.189 483 HB3 LEU 77 HB1 LEU 77 -0.458 2.697 -6.847 484 HG LEU 77 HG LEU 77 1.553 4.521 -5.533 485 HD11 LEU 77 HD11 LEU 77 2.391 2.240 -5.837 486 HD12 LEU 77 HD12 LEU 77 3.202 3.387 -6.902 487 HD13 LEU 77 HD13 LEU 77 1.958 2.314 -7.544 488 HD21 LEU 77 HD21 LEU 77 1.963 5.308 -7.824 489 HD22 LEU 77 HD22 LEU 77 0.320 5.652 -7.286 490 HD23 LEU 77 HD23 LEU 77 0.622 4.313 -8.394 491 H LEU 78 HN LEU 78 -1.769 3.151 -3.380 492 HA LEU 78 HA LEU 78 -3.825 1.355 -4.059 493 HB2 LEU 78 HB2 LEU 78 -2.472 1.072 -2.101 494 HB3 LEU 78 HB1 LEU 78 -2.977 2.627 -1.477 495 HG LEU 78 HG LEU 78 -5.324 1.665 -1.366 496 HD11 LEU 78 HD11 LEU 78 -5.544 -0.727 -1.318 497 HD12 LEU 78 HD12 LEU 78 -3.817 -0.937 -1.595 498 HD13 LEU 78 HD13 LEU 78 -4.835 -0.257 -2.863 499 HD21 LEU 78 HD21 LEU 78 -3.277 0.326 0.381 500 HD22 LEU 78 HD22 LEU 78 -4.924 0.797 0.803 501 HD23 LEU 78 HD23 LEU 78 -3.690 2.032 0.522 502 H LEU 79 HN LEU 79 -3.861 4.632 -2.699 503 HA LEU 79 HA LEU 79 -6.622 4.870 -2.315 504 HB2 LEU 79 HB2 LEU 79 -4.335 6.717 -2.563 505 HB3 LEU 79 HB1 LEU 79 -5.905 7.411 -2.897 506 HG LEU 79 HG LEU 79 -6.696 6.805 -0.680 507 HD11 LEU 79 HD11 LEU 79 -5.148 5.853 0.979 508 HD12 LEU 79 HD12 LEU 79 -3.957 5.605 -0.298 509 HD13 LEU 79 HD13 LEU 79 -5.493 4.739 -0.342 510 HD21 LEU 79 HD21 LEU 79 -5.563 8.942 -0.949 511 HD22 LEU 79 HD22 LEU 79 -4.011 8.175 -0.607 512 HD23 LEU 79 HD23 LEU 79 -5.248 8.261 0.648 513 H GLU 80 HN GLU 80 -4.697 5.091 -5.206 514 HA GLU 80 HA GLU 80 -6.684 6.287 -6.862 515 HB2 GLU 80 HB2 GLU 80 -4.364 4.487 -7.582 516 HB3 GLU 80 HB1 GLU 80 -5.272 5.507 -8.702 517 HG2 GLU 80 HG2 GLU 80 -3.762 6.582 -6.340 518 HG3 GLU 80 HG1 GLU 80 -3.061 6.408 -7.941 519 H LEU 81 HN LEU 81 -5.779 3.013 -6.021 520 HA LEU 81 HA LEU 81 -7.441 1.632 -7.841 521 HB2 LEU 81 HB2 LEU 81 -5.532 0.646 -6.654 522 HB3 LEU 81 HB1 LEU 81 -6.402 0.814 -5.160 523 HG LEU 81 HG LEU 81 -8.112 -0.753 -5.973 524 HD11 LEU 81 HD11 LEU 81 -6.259 -1.076 -8.325 525 HD12 LEU 81 HD12 LEU 81 -7.877 -0.377 -8.360 526 HD13 LEU 81 HD13 LEU 81 -7.663 -2.084 -7.976 527 HD21 LEU 81 HD21 LEU 81 -6.241 -1.534 -4.613 528 HD22 LEU 81 HD22 LEU 81 -5.293 -1.814 -6.073 529 HD23 LEU 81 HD23 LEU 81 -6.751 -2.761 -5.772 530 H LEU 82 HN LEU 82 -7.739 2.530 -4.478 531 HA LEU 82 HA LEU 82 -10.361 1.529 -4.084 532 HB2 LEU 82 HB2 LEU 82 -8.951 3.702 -2.543 533 HB3 LEU 82 HB1 LEU 82 -10.293 2.724 -1.992 534 HG LEU 82 HG LEU 82 -7.476 1.802 -2.517 535 HD11 LEU 82 HD11 LEU 82 -9.081 1.788 0.028 536 HD12 LEU 82 HD12 LEU 82 -7.924 3.042 -0.412 537 HD13 LEU 82 HD13 LEU 82 -7.376 1.385 -0.170 538 HD21 LEU 82 HD21 LEU 82 -8.236 -0.415 -1.787 539 HD22 LEU 82 HD22 LEU 82 -9.029 0.101 -3.277 540 HD23 LEU 82 HD23 LEU 82 -9.898 0.175 -1.748 541 H ASN 83 HN ASN 83 -9.201 4.253 -5.684 542 HA ASN 83 HA ASN 83 -11.641 5.812 -5.357 543 HB2 ASN 83 HB2 ASN 83 -9.367 6.890 -5.537 544 HB3 ASN 83 HB1 ASN 83 -9.312 6.352 -7.212 545 HD21 ASN 83 HD21 ASN 83 -10.824 8.495 -4.937 546 HD22 ASN 83 HD22 ASN 83 -11.564 9.536 -6.104 547 H LYS 84 HN LYS 84 -10.648 3.216 -7.103 548 HA LYS 84 HA LYS 84 -12.232 3.891 -9.477 549 HB2 LYS 84 HB2 LYS 84 -10.128 1.769 -9.028 550 HB3 LYS 84 HB1 LYS 84 -11.083 1.904 -10.500 551 HG2 LYS 84 HG2 LYS 84 -10.112 3.966 -11.064 552 HG3 LYS 84 HG1 LYS 84 -9.423 4.169 -9.456 553 HD2 LYS 84 HD2 LYS 84 -7.929 2.272 -9.863 554 HD3 LYS 84 HD1 LYS 84 -8.628 2.068 -11.472 555 HE2 LYS 84 HE2 LYS 84 -7.130 4.486 -10.470 556 HE3 LYS 84 HE1 LYS 84 -6.511 3.272 -11.587 557 HZ1 LYS 84 HZ1 LYS 84 -8.748 5.161 -12.076 558 HZ2 LYS 84 HZ2 LYS 84 -8.313 3.910 -13.128 559 HZ3 LYS 84 HZ3 LYS 84 -7.229 5.169 -12.821 560 H THR 85 HN THR 85 -13.554 3.347 -7.138 561 HA THR 85 HA THR 85 -15.140 1.084 -7.921 562 HB THR 85 HB THR 85 -13.704 -0.212 -6.604 563 HG1 THR 85 HG1 THR 85 -15.841 0.628 -4.909 564 HG21 THR 85 HG21 THR 85 -12.420 1.586 -5.581 565 HG22 THR 85 HG22 THR 85 -12.917 0.404 -4.370 566 HG23 THR 85 HG23 THR 85 -13.764 1.946 -4.500 Start of MODEL 16 1 H1 ASN 15 HT1 ASN 15 -5.799 6.631 4.030 2 H2 ASN 15 HT2 ASN 15 -4.442 6.050 4.848 3 H3 ASN 15 HT3 ASN 15 -5.425 7.216 5.575 4 HA ASN 15 HA ASN 15 -6.173 4.423 4.939 5 HB2 ASN 15 HB2 ASN 15 -4.652 4.799 6.910 6 HB3 ASN 15 HB1 ASN 15 -5.918 5.784 7.629 7 HD21 ASN 15 HD21 ASN 15 -6.089 4.412 9.391 8 HD22 ASN 15 HD22 ASN 15 -6.840 2.856 9.274 9 H ASP 16 HN ASP 16 -7.195 7.644 5.366 10 HA ASP 16 HA ASP 16 -9.653 7.327 6.680 11 HB2 ASP 16 HB2 ASP 16 -8.537 9.491 6.371 12 HB3 ASP 16 HB1 ASP 16 -8.834 9.405 4.642 13 H ILE 17 HN ILE 17 -8.811 7.278 3.264 14 HA ILE 17 HA ILE 17 -11.402 7.207 2.229 15 HB ILE 17 HB ILE 17 -8.840 6.135 1.053 16 HG12 ILE 17 HG12 ILE 17 -9.156 8.154 -0.442 17 HG13 ILE 17 HG11 ILE 17 -10.448 8.657 0.633 18 HG21 ILE 17 HG21 ILE 17 -11.525 6.464 -0.285 19 HG22 ILE 17 HG22 ILE 17 -10.729 4.935 0.083 20 HG23 ILE 17 HG23 ILE 17 -10.016 6.039 -1.092 21 HD11 ILE 17 HD11 ILE 17 -8.910 8.882 2.454 22 HD12 ILE 17 HD12 ILE 17 -8.326 9.805 1.067 23 HD13 ILE 17 HD13 ILE 17 -7.592 8.250 1.465 24 H CYS 18 HN CYS 18 -9.285 4.625 3.334 25 HA CYS 18 HA CYS 18 -10.969 2.484 2.478 26 HB2 CYS 18 HB2 CYS 18 -8.580 2.126 2.827 27 HB3 CYS 18 HB1 CYS 18 -8.736 2.575 4.521 28 HG CYS 18 HG CYS 18 -10.479 0.337 5.036 29 H LEU 19 HN LEU 19 -10.483 4.277 5.449 30 HA LEU 19 HA LEU 19 -12.134 2.783 7.154 31 HB2 LEU 19 HB2 LEU 19 -10.511 4.567 7.784 32 HB3 LEU 19 HB1 LEU 19 -11.653 5.753 7.206 33 HG LEU 19 HG LEU 19 -13.271 5.030 8.913 34 HD11 LEU 19 HD11 LEU 19 -12.537 3.536 10.715 35 HD12 LEU 19 HD12 LEU 19 -11.038 3.225 9.839 36 HD13 LEU 19 HD13 LEU 19 -12.582 2.712 9.157 37 HD21 LEU 19 HD21 LEU 19 -12.082 5.942 10.843 38 HD22 LEU 19 HD22 LEU 19 -11.747 6.871 9.382 39 HD23 LEU 19 HD23 LEU 19 -10.547 5.735 9.998 40 H ARG 20 HN ARG 20 -12.800 5.748 5.311 41 HA ARG 20 HA ARG 20 -15.513 6.015 5.772 42 HB2 ARG 20 HB2 ARG 20 -14.154 7.682 4.611 43 HB3 ARG 20 HB1 ARG 20 -13.955 6.598 3.247 44 HG2 ARG 20 HG2 ARG 20 -16.408 6.676 2.887 45 HG3 ARG 20 HG1 ARG 20 -16.516 7.882 4.170 46 HD2 ARG 20 HD2 ARG 20 -15.101 9.393 2.914 47 HD3 ARG 20 HD1 ARG 20 -14.863 8.174 1.664 48 HE ARG 20 HE ARG 20 -17.627 8.830 2.100 49 HH11 ARG 20 HH11 ARG 20 -14.706 9.763 0.396 50 HH12 ARG 20 HH12 ARG 20 -15.560 10.593 -0.864 51 HH21 ARG 20 HH21 ARG 20 -18.744 9.919 0.440 52 HH22 ARG 20 HH22 ARG 20 -17.854 10.689 -0.837 53 H LYS 21 HN LYS 21 -13.842 3.923 3.506 54 HA LYS 21 HA LYS 21 -16.135 3.152 2.008 55 HB2 LYS 21 HB2 LYS 21 -13.282 2.439 2.140 56 HB3 LYS 21 HB1 LYS 21 -14.342 1.151 1.587 57 HG2 LYS 21 HG2 LYS 21 -14.228 3.909 0.394 58 HG3 LYS 21 HG1 LYS 21 -13.402 2.485 -0.247 59 HD2 LYS 21 HD2 LYS 21 -15.565 1.351 -0.470 60 HD3 LYS 21 HD1 LYS 21 -16.366 2.806 0.122 61 HE2 LYS 21 HE2 LYS 21 -15.528 4.057 -1.792 62 HE3 LYS 21 HE1 LYS 21 -14.669 2.631 -2.360 63 HZ1 LYS 21 HZ1 LYS 21 -17.611 2.896 -2.109 64 HZ2 LYS 21 HZ2 LYS 21 -16.796 1.510 -2.620 65 HZ3 LYS 21 HZ3 LYS 21 -16.730 2.917 -3.553 66 H ASN 22 HN ASN 22 -15.466 2.552 5.088 67 HA ASN 22 HA ASN 22 -16.210 1.178 6.673 68 HB2 ASN 22 HB2 ASN 22 -17.950 0.116 4.447 69 HB3 ASN 22 HB1 ASN 22 -18.087 -0.312 6.136 70 HD21 ASN 22 HD21 ASN 22 -18.634 2.136 3.769 71 HD22 ASN 22 HD22 ASN 22 -19.593 3.170 4.770 72 H TRP 23 HN TRP 23 -13.939 0.464 4.899 73 HA TRP 23 HA TRP 23 -13.978 -2.457 5.101 74 HB2 TRP 23 HB2 TRP 23 -11.863 -0.611 3.970 75 HB3 TRP 23 HB1 TRP 23 -11.823 -2.366 3.914 76 HD1 TRP 23 HD1 TRP 23 -15.026 -2.539 2.989 77 HE1 TRP 23 HE1 TRP 23 -15.515 -2.055 0.494 78 HE3 TRP 23 HE3 TRP 23 -10.765 -0.017 1.831 79 HZ2 TRP 23 HZ2 TRP 23 -14.208 -0.760 -1.680 80 HZ3 TRP 23 HZ3 TRP 23 -10.446 0.799 -0.455 81 HH2 TRP 23 HH2 TRP 23 -12.131 0.438 -2.174 82 HA PRO 24 HA PRO 24 -11.406 -2.388 8.758 83 HB2 PRO 24 HB2 PRO 24 -10.071 -4.709 8.460 84 HB3 PRO 24 HB1 PRO 24 -11.783 -4.660 8.894 85 HG2 PRO 24 HG2 PRO 24 -10.521 -5.111 6.229 86 HG3 PRO 24 HG1 PRO 24 -11.867 -5.981 6.983 87 HD2 PRO 24 HD2 PRO 24 -12.235 -4.056 5.111 88 HD3 PRO 24 HD1 PRO 24 -13.398 -4.347 6.418 89 H MET 25 HN MET 25 -9.019 -2.571 9.328 90 HA MET 25 HA MET 25 -7.607 -0.730 7.760 91 HB2 MET 25 HB2 MET 25 -6.556 -2.577 9.900 92 HB3 MET 25 HB1 MET 25 -5.773 -1.115 9.319 93 HG2 MET 25 HG2 MET 25 -8.470 -1.158 10.646 94 HG3 MET 25 HG1 MET 25 -6.960 -0.896 11.502 95 HE1 MET 25 HE1 MET 25 -9.891 0.695 9.757 96 HE2 MET 25 HE2 MET 25 -8.938 0.486 8.291 97 HE3 MET 25 HE3 MET 25 -9.255 2.105 8.914 98 HA PRO 26 HA PRO 26 -5.932 -3.418 4.666 99 HB2 PRO 26 HB2 PRO 26 -3.957 -1.325 4.178 100 HB3 PRO 26 HB1 PRO 26 -5.223 -1.935 3.117 101 HG2 PRO 26 HG2 PRO 26 -5.324 0.525 4.237 102 HG3 PRO 26 HG1 PRO 26 -6.775 -0.426 3.874 103 HD2 PRO 26 HD2 PRO 26 -5.406 0.028 6.489 104 HD3 PRO 26 HD1 PRO 26 -7.139 -0.095 6.121 105 H SER 27 HN SER 27 -3.918 -4.351 4.025 106 HA SER 27 HA SER 27 -2.166 -4.884 6.284 107 HB2 SER 27 HB2 SER 27 -3.067 -6.683 4.771 108 HB3 SER 27 HB1 SER 27 -2.060 -6.021 3.490 109 HG SER 27 HG SER 27 -1.283 -7.296 5.891 110 H TYR 28 HN TYR 28 0.045 -4.420 6.344 111 HA TYR 28 HA TYR 28 1.165 -2.915 4.130 112 HB2 TYR 28 HB2 TYR 28 0.974 -1.932 6.978 113 HB3 TYR 28 HB1 TYR 28 2.180 -1.320 5.857 114 HD1 TYR 28 HD2 TYR 28 -1.394 -1.379 6.699 115 HD2 TYR 28 HD1 TYR 28 1.555 0.171 4.051 116 HE1 TYR 28 HE2 TYR 28 -2.989 0.326 5.925 117 HE2 TYR 28 HE1 TYR 28 -0.022 1.884 3.274 118 HH TYR 28 HH TYR 28 -2.938 2.551 4.902 119 H ARG 29 HN ARG 29 2.977 -4.136 3.650 120 HA ARG 29 HA ARG 29 4.758 -4.908 5.799 121 HB2 ARG 29 HB2 ARG 29 3.487 -6.916 3.948 122 HB3 ARG 29 HB1 ARG 29 4.897 -7.254 4.932 123 HG2 ARG 29 HG2 ARG 29 3.570 -6.817 6.952 124 HG3 ARG 29 HG1 ARG 29 2.153 -6.534 5.941 125 HD2 ARG 29 HD2 ARG 29 2.100 -8.786 6.814 126 HD3 ARG 29 HD1 ARG 29 2.348 -8.827 5.069 127 HE ARG 29 HE ARG 29 4.859 -8.880 6.275 128 HH11 ARG 29 HH11 ARG 29 2.008 -10.901 6.074 129 HH12 ARG 29 HH12 ARG 29 2.891 -12.379 6.297 130 HH21 ARG 29 HH21 ARG 29 6.019 -10.820 6.564 131 HH22 ARG 29 HH22 ARG 29 5.173 -12.334 6.569 132 H CYS 30 HN CYS 30 6.765 -4.429 5.154 133 HA CYS 30 HA CYS 30 7.397 -3.579 2.564 134 HB2 CYS 30 HB2 CYS 30 9.235 -4.567 4.747 135 HB3 CYS 30 HB1 CYS 30 9.763 -3.722 3.298 136 HG CYS 30 HG CYS 30 9.906 -1.941 5.413 137 H VAL 31 HN VAL 31 7.724 -4.663 0.767 138 HA VAL 31 HA VAL 31 7.812 -7.549 0.826 139 HB VAL 31 HB VAL 31 7.860 -5.668 -1.546 140 HG11 VAL 31 HG11 VAL 31 8.744 -7.869 -2.092 141 HG12 VAL 31 HG12 VAL 31 7.162 -7.634 -2.836 142 HG13 VAL 31 HG13 VAL 31 7.317 -8.631 -1.389 143 HG21 VAL 31 HG21 VAL 31 5.555 -7.151 -0.284 144 HG22 VAL 31 HG22 VAL 31 5.477 -6.190 -1.762 145 HG23 VAL 31 HG23 VAL 31 5.828 -5.411 -0.219 146 H LYS 32 HN LYS 32 9.924 -4.855 -0.079 147 HA LYS 32 HA LYS 32 12.202 -6.695 0.089 148 HB2 LYS 32 HB2 LYS 32 11.670 -6.215 -2.302 149 HB3 LYS 32 HB1 LYS 32 11.863 -4.505 -1.959 150 HG2 LYS 32 HG2 LYS 32 14.215 -4.936 -1.328 151 HG3 LYS 32 HG1 LYS 32 13.999 -6.615 -1.829 152 HD2 LYS 32 HD2 LYS 32 13.455 -5.890 -4.085 153 HD3 LYS 32 HD1 LYS 32 13.605 -4.203 -3.594 154 HE2 LYS 32 HE2 LYS 32 15.979 -4.628 -3.025 155 HE3 LYS 32 HE1 LYS 32 15.799 -6.270 -3.643 156 HZ1 LYS 32 HZ1 LYS 32 16.765 -4.797 -5.298 157 HZ2 LYS 32 HZ2 LYS 32 15.411 -3.785 -5.219 158 HZ3 LYS 32 HZ3 LYS 32 15.254 -5.360 -5.810 159 H GLU 33 HN GLU 33 13.563 -5.980 1.563 160 HA GLU 33 HA GLU 33 14.037 -3.129 1.940 161 HB2 GLU 33 HB2 GLU 33 12.138 -3.728 3.442 162 HB3 GLU 33 HB1 GLU 33 13.169 -4.916 4.224 163 HG2 GLU 33 HG2 GLU 33 14.710 -3.055 4.842 164 HG3 GLU 33 HG1 GLU 33 13.502 -1.928 4.226 165 H GLY 34 HN GLY 34 16.122 -2.712 2.497 166 HA2 GLY 34 HA2 GLY 34 18.163 -3.031 3.564 167 HA3 GLY 34 HA1 GLY 34 17.641 -4.642 4.027 168 H GLY 35 HN GLY 35 17.398 -6.170 2.077 169 HA2 GLY 35 HA2 GLY 35 18.442 -7.337 0.393 170 HA3 GLY 35 HA1 GLY 35 18.926 -5.779 -0.248 171 HA PRO 36 HA PRO 36 22.881 -7.986 0.803 172 HB2 PRO 36 HB2 PRO 36 24.176 -6.437 -1.127 173 HB3 PRO 36 HB1 PRO 36 23.600 -8.086 -1.355 174 HG2 PRO 36 HG2 PRO 36 22.337 -5.508 -2.147 175 HG3 PRO 36 HG1 PRO 36 22.330 -7.072 -2.981 176 HD2 PRO 36 HD2 PRO 36 20.184 -6.192 -1.639 177 HD3 PRO 36 HD1 PRO 36 20.620 -7.912 -1.661 178 H ALA 37 HN ALA 37 22.704 -4.592 -0.255 179 HA ALA 37 HA ALA 37 23.305 -3.429 2.235 180 HB1 ALA 37 HB1 ALA 37 25.505 -4.479 1.904 181 HB2 ALA 37 HB2 ALA 37 25.610 -2.719 1.873 182 HB3 ALA 37 HB3 ALA 37 25.670 -3.631 0.365 183 H HIS 38 HN HIS 38 24.002 -3.135 -1.214 184 HA HIS 38 HA HIS 38 23.514 -0.304 -1.281 185 HB2 HIS 38 HB2 HIS 38 23.819 -0.559 -3.732 186 HB3 HIS 38 HB1 HIS 38 25.140 -1.262 -2.809 187 HD1 HIS 38 HD1 HIS 38 25.622 -3.711 -3.152 188 HD2 HIS 38 HD2 HIS 38 22.054 -2.514 -4.925 189 HE1 HIS 38 HE1 HIS 38 24.817 -5.697 -4.465 190 HE2 HIS 38 HE2 HIS 38 22.803 -4.859 -5.726 191 H ALA 39 HN ALA 39 21.326 -2.286 -0.510 192 HA ALA 39 HA ALA 39 19.335 -1.387 -2.477 193 HB1 ALA 39 HB1 ALA 39 19.762 -3.775 -2.741 194 HB2 ALA 39 HB2 ALA 39 18.127 -3.483 -2.148 195 HB3 ALA 39 HB3 ALA 39 19.381 -4.036 -1.040 196 H LYS 40 HN LYS 40 19.823 0.227 -0.403 197 HA LYS 40 HA LYS 40 18.014 -0.433 1.771 198 HB2 LYS 40 HB2 LYS 40 20.326 0.911 1.824 199 HB3 LYS 40 HB1 LYS 40 19.229 2.257 1.572 200 HG2 LYS 40 HG2 LYS 40 19.637 2.012 3.915 201 HG3 LYS 40 HG1 LYS 40 17.963 1.573 3.568 202 HD2 LYS 40 HD2 LYS 40 18.514 -0.775 3.673 203 HD3 LYS 40 HD1 LYS 40 20.226 -0.401 3.867 204 HE2 LYS 40 HE2 LYS 40 18.014 0.279 5.800 205 HE3 LYS 40 HE1 LYS 40 19.222 -0.990 6.000 206 HZ1 LYS 40 HZ1 LYS 40 19.818 0.964 7.258 207 HZ2 LYS 40 HZ2 LYS 40 19.761 1.925 5.872 208 HZ3 LYS 40 HZ3 LYS 40 20.942 0.725 6.018 209 H ARG 41 HN ARG 41 17.431 0.404 -1.201 210 HA ARG 41 HA ARG 41 15.323 2.321 -0.620 211 HB2 ARG 41 HB2 ARG 41 15.699 0.701 -3.145 212 HB3 ARG 41 HB1 ARG 41 14.658 2.094 -2.933 213 HG2 ARG 41 HG2 ARG 41 16.616 3.517 -2.605 214 HG3 ARG 41 HG1 ARG 41 17.666 2.118 -2.842 215 HD2 ARG 41 HD2 ARG 41 16.837 1.836 -5.098 216 HD3 ARG 41 HD1 ARG 41 15.688 3.153 -4.869 217 HE ARG 41 HE ARG 41 18.299 4.090 -4.384 218 HH11 ARG 41 HH11 ARG 41 16.279 3.015 -7.033 219 HH12 ARG 41 HH12 ARG 41 17.071 4.014 -8.209 220 HH21 ARG 41 HH21 ARG 41 19.338 5.405 -5.924 221 HH22 ARG 41 HH22 ARG 41 18.805 5.380 -7.575 222 H PHE 42 HN PHE 42 13.273 1.746 -0.190 223 HA PHE 42 HA PHE 42 12.893 -1.134 0.236 224 HB2 PHE 42 HB2 PHE 42 11.397 1.077 1.643 225 HB3 PHE 42 HB1 PHE 42 11.504 -0.618 2.104 226 HD1 PHE 42 HD1 PHE 42 14.425 -1.085 1.864 227 HD2 PHE 42 HD2 PHE 42 12.263 2.212 3.458 228 HE1 PHE 42 HE1 PHE 42 16.336 -0.541 3.320 229 HE2 PHE 42 HE2 PHE 42 14.160 2.751 4.921 230 HZ PHE 42 HZ PHE 42 16.197 1.374 4.858 231 H THR 43 HN THR 43 11.231 -2.150 -0.610 232 HA THR 43 HA THR 43 9.367 -0.585 -2.260 233 HB THR 43 HB THR 43 10.449 -3.339 -2.915 234 HG1 THR 43 HG1 THR 43 11.727 -2.218 -4.480 235 HG21 THR 43 HG21 THR 43 8.909 -1.331 -4.562 236 HG22 THR 43 HG22 THR 43 8.268 -2.829 -3.885 237 HG23 THR 43 HG23 THR 43 9.512 -2.885 -5.135 238 H PHE 44 HN PHE 44 7.266 -0.909 -1.566 239 HA PHE 44 HA PHE 44 6.741 -3.350 -0.061 240 HB2 PHE 44 HB2 PHE 44 6.806 -2.025 1.791 241 HB3 PHE 44 HB1 PHE 44 6.732 -0.546 0.844 242 HD1 PHE 44 HD2 PHE 44 4.673 -3.301 2.178 243 HD2 PHE 44 HD1 PHE 44 4.785 0.701 0.771 244 HE1 PHE 44 HE2 PHE 44 2.364 -2.968 2.937 245 HE2 PHE 44 HE1 PHE 44 2.484 1.044 1.547 246 HZ PHE 44 HZ PHE 44 1.221 -0.808 2.467 247 H GLY 45 HN GLY 45 4.476 -3.938 -0.056 248 HA2 GLY 45 HA2 GLY 45 2.887 -2.566 -2.125 249 HA3 GLY 45 HA1 GLY 45 2.995 -4.319 -2.056 250 H VAL 46 HN VAL 46 0.766 -2.243 -1.643 251 HA VAL 46 HA VAL 46 -0.051 -3.047 1.079 252 HB VAL 46 HB VAL 46 -1.759 -1.148 -0.382 253 HG11 VAL 46 HG11 VAL 46 -1.657 0.010 1.833 254 HG12 VAL 46 HG12 VAL 46 -0.625 -1.306 2.393 255 HG13 VAL 46 HG13 VAL 46 -2.271 -1.642 1.865 256 HG21 VAL 46 HG21 VAL 46 1.001 -0.306 0.458 257 HG22 VAL 46 HG22 VAL 46 -0.315 0.795 0.057 258 HG23 VAL 46 HG23 VAL 46 0.335 -0.288 -1.173 259 H ARG 47 HN ARG 47 -2.236 -3.829 1.384 260 HA ARG 47 HA ARG 47 -3.802 -4.266 -0.997 261 HB2 ARG 47 HB2 ARG 47 -4.301 -6.617 -0.271 262 HB3 ARG 47 HB1 ARG 47 -2.657 -6.385 -0.844 263 HG2 ARG 47 HG2 ARG 47 -1.908 -6.265 1.515 264 HG3 ARG 47 HG1 ARG 47 -3.561 -6.614 2.017 265 HD2 ARG 47 HD2 ARG 47 -2.271 -8.651 2.042 266 HD3 ARG 47 HD1 ARG 47 -3.465 -8.729 0.749 267 HE ARG 47 HE ARG 47 -0.659 -8.002 0.218 268 HH11 ARG 47 HH11 ARG 47 -3.469 -10.004 -0.426 269 HH12 ARG 47 HH12 ARG 47 -2.738 -10.803 -1.777 270 HH21 ARG 47 HH21 ARG 47 0.299 -9.061 -1.536 271 HH22 ARG 47 HH22 ARG 47 -0.597 -10.270 -2.412 272 H VAL 48 HN VAL 48 -5.960 -4.157 -0.559 273 HA VAL 48 HA VAL 48 -6.661 -3.515 2.245 274 HB VAL 48 HB VAL 48 -7.998 -2.484 -0.251 275 HG11 VAL 48 HG11 VAL 48 -9.024 -0.856 1.313 276 HG12 VAL 48 HG12 VAL 48 -8.315 -1.763 2.651 277 HG13 VAL 48 HG13 VAL 48 -9.512 -2.525 1.602 278 HG21 VAL 48 HG21 VAL 48 -6.057 -1.068 1.564 279 HG22 VAL 48 HG22 VAL 48 -6.930 -0.340 0.217 280 HG23 VAL 48 HG23 VAL 48 -5.734 -1.599 -0.086 281 H ASN 49 HN ASN 49 -8.773 -4.185 2.973 282 HA ASN 49 HA ASN 49 -9.673 -6.591 1.586 283 HB2 ASN 49 HB2 ASN 49 -9.136 -6.747 4.010 284 HB3 ASN 49 HB1 ASN 49 -10.437 -5.608 4.339 285 HD21 ASN 49 HD21 ASN 49 -11.419 -7.208 5.639 286 HD22 ASN 49 HD22 ASN 49 -12.317 -8.502 4.931 287 H THR 50 HN THR 50 -10.628 -5.551 -0.016 288 HA THR 50 HA THR 50 -12.783 -3.671 0.316 289 HB THR 50 HB THR 50 -13.342 -4.052 -2.060 290 HG1 THR 50 HG1 THR 50 -11.156 -5.894 -2.070 291 HG21 THR 50 HG21 THR 50 -10.413 -3.648 -1.475 292 HG22 THR 50 HG22 THR 50 -11.663 -2.405 -1.516 293 HG23 THR 50 HG23 THR 50 -11.203 -3.245 -2.999 294 H SER 51 HN SER 51 -14.634 -4.142 1.200 295 HA SER 51 HA SER 51 -15.673 -6.635 1.749 296 HB2 SER 51 HB2 SER 51 -16.491 -4.544 2.758 297 HB3 SER 51 HB1 SER 51 -17.198 -4.073 1.217 298 HG SER 51 HG SER 51 -18.806 -5.422 1.515 299 H ASP 52 HN ASP 52 -15.836 -4.759 -1.176 300 HA ASP 52 HA ASP 52 -17.776 -6.144 -2.589 301 HB2 ASP 52 HB2 ASP 52 -15.322 -4.888 -3.713 302 HB3 ASP 52 HB1 ASP 52 -16.844 -5.145 -4.539 303 H ARG 53 HN ARG 53 -14.216 -6.679 -2.653 304 HA ARG 53 HA ARG 53 -14.788 -9.237 -4.005 305 HB2 ARG 53 HB2 ARG 53 -12.527 -7.318 -4.588 306 HB3 ARG 53 HB1 ARG 53 -12.704 -8.912 -5.303 307 HG2 ARG 53 HG2 ARG 53 -14.777 -8.231 -6.368 308 HG3 ARG 53 HG1 ARG 53 -14.650 -6.642 -5.614 309 HD2 ARG 53 HD2 ARG 53 -12.555 -6.241 -6.805 310 HD3 ARG 53 HD1 ARG 53 -12.673 -7.832 -7.553 311 HE ARG 53 HE ARG 53 -14.990 -6.241 -8.056 312 HH11 ARG 53 HH11 ARG 53 -11.678 -6.756 -9.054 313 HH12 ARG 53 HH12 ARG 53 -11.933 -6.170 -10.666 314 HH21 ARG 53 HH21 ARG 53 -15.333 -5.459 -10.183 315 HH22 ARG 53 HH22 ARG 53 -14.017 -5.449 -11.313 316 H GLY 54 HN GLY 54 -12.769 -7.501 -1.743 317 HA2 GLY 54 HA2 GLY 54 -11.979 -8.872 0.163 318 HA3 GLY 54 HA1 GLY 54 -11.453 -10.037 -1.036 319 H TRP 55 HN TRP 55 -9.343 -9.966 -0.242 320 HA TRP 55 HA TRP 55 -7.721 -7.740 -0.011 321 HB2 TRP 55 HB2 TRP 55 -7.208 -10.600 -0.669 322 HB3 TRP 55 HB1 TRP 55 -5.899 -9.450 -0.901 323 HD1 TRP 55 HD1 TRP 55 -6.603 -11.857 1.482 324 HE1 TRP 55 HE1 TRP 55 -5.933 -11.194 3.877 325 HE3 TRP 55 HE3 TRP 55 -6.269 -6.803 0.866 326 HZ2 TRP 55 HZ2 TRP 55 -5.336 -8.830 5.298 327 HZ3 TRP 55 HZ3 TRP 55 -5.645 -5.417 2.792 328 HH2 TRP 55 HH2 TRP 55 -5.201 -6.402 4.968 329 H THR 56 HN THR 56 -7.257 -6.210 -1.376 330 HA THR 56 HA THR 56 -7.797 -6.310 -4.150 331 HB THR 56 HB THR 56 -6.586 -4.139 -4.247 332 HG1 THR 56 HG1 THR 56 -5.072 -4.028 -2.745 333 HG21 THR 56 HG21 THR 56 -8.957 -4.191 -3.671 334 HG22 THR 56 HG22 THR 56 -8.127 -2.902 -2.800 335 HG23 THR 56 HG23 THR 56 -8.547 -4.399 -1.969 336 H ASP 57 HN ASP 57 -6.125 -5.741 -5.826 337 HA ASP 57 HA ASP 57 -3.953 -7.552 -5.851 338 HB2 ASP 57 HB2 ASP 57 -4.305 -5.036 -7.500 339 HB3 ASP 57 HB1 ASP 57 -3.219 -6.370 -7.863 340 H GLU 58 HN GLU 58 -1.988 -7.351 -5.004 341 HA GLU 58 HA GLU 58 -1.484 -5.396 -3.088 342 HB2 GLU 58 HB2 GLU 58 -0.459 -7.667 -3.164 343 HB3 GLU 58 HB1 GLU 58 0.569 -7.097 -4.465 344 HG2 GLU 58 HG2 GLU 58 1.731 -5.632 -3.073 345 HG3 GLU 58 HG1 GLU 58 0.510 -5.736 -1.805 346 H CYS 59 HN CYS 59 -1.047 -3.394 -3.353 347 HA CYS 59 HA CYS 59 -0.101 -2.398 -5.909 348 HB2 CYS 59 HB2 CYS 59 -0.916 -0.877 -3.422 349 HB3 CYS 59 HB1 CYS 59 -0.649 -0.190 -5.022 350 HG CYS 59 HG CYS 59 -2.921 -2.644 -4.990 351 H ILE 60 HN ILE 60 2.009 -2.870 -6.053 352 HA ILE 60 HA ILE 60 3.872 -2.417 -3.925 353 HB ILE 60 HB ILE 60 4.345 -2.945 -6.866 354 HG12 ILE 60 HG12 ILE 60 3.055 -4.722 -5.636 355 HG13 ILE 60 HG11 ILE 60 4.577 -5.257 -6.337 356 HG21 ILE 60 HG21 ILE 60 6.579 -3.634 -6.195 357 HG22 ILE 60 HG22 ILE 60 6.213 -3.190 -4.529 358 HG23 ILE 60 HG23 ILE 60 6.269 -1.949 -5.780 359 HD11 ILE 60 HD11 ILE 60 4.146 -6.129 -4.068 360 HD12 ILE 60 HD12 ILE 60 4.229 -4.472 -3.468 361 HD13 ILE 60 HD13 ILE 60 5.643 -5.208 -4.211 362 H GLY 61 HN GLY 61 4.675 -0.496 -3.413 363 HA2 GLY 61 HA2 GLY 61 4.238 1.788 -5.124 364 HA3 GLY 61 HA1 GLY 61 4.971 1.802 -3.526 365 H GLU 62 HN GLU 62 6.415 3.353 -4.608 366 HA GLU 62 HA GLU 62 8.373 2.168 -6.415 367 HB2 GLU 62 HB2 GLU 62 8.113 5.002 -5.380 368 HB3 GLU 62 HB1 GLU 62 9.208 4.461 -6.647 369 HG2 GLU 62 HG2 GLU 62 7.316 3.876 -8.055 370 HG3 GLU 62 HG1 GLU 62 6.202 4.365 -6.783 371 HA PRO 63 HA PRO 63 11.273 1.204 -3.191 372 HB2 PRO 63 HB2 PRO 63 13.312 2.211 -5.108 373 HB3 PRO 63 HB1 PRO 63 13.219 0.654 -4.279 374 HG2 PRO 63 HG2 PRO 63 12.632 0.863 -6.872 375 HG3 PRO 63 HG1 PRO 63 11.720 -0.224 -5.808 376 HD2 PRO 63 HD2 PRO 63 10.946 2.437 -6.916 377 HD3 PRO 63 HD1 PRO 63 9.947 1.001 -6.616 378 H MET 64 HN MET 64 11.436 2.516 -1.482 379 HA MET 64 HA MET 64 12.296 5.305 -1.915 380 HB2 MET 64 HB2 MET 64 10.379 4.270 0.175 381 HB3 MET 64 HB1 MET 64 10.885 5.941 -0.023 382 HG2 MET 64 HG2 MET 64 9.320 4.323 -2.016 383 HG3 MET 64 HG1 MET 64 8.679 5.556 -0.942 384 HE1 MET 64 HE1 MET 64 10.639 7.910 -0.972 385 HE2 MET 64 HE2 MET 64 8.905 8.077 -1.251 386 HE3 MET 64 HE3 MET 64 10.054 8.852 -2.344 387 HA PRO 65 HA PRO 65 15.613 4.177 0.756 388 HB2 PRO 65 HB2 PRO 65 16.589 6.607 1.375 389 HB3 PRO 65 HB1 PRO 65 16.714 5.929 -0.251 390 HG2 PRO 65 HG2 PRO 65 14.749 7.917 0.824 391 HG3 PRO 65 HG1 PRO 65 15.631 7.938 -0.714 392 HD2 PRO 65 HD2 PRO 65 13.045 7.114 -0.493 393 HD3 PRO 65 HD1 PRO 65 14.162 6.480 -1.719 394 H SER 66 HN SER 66 12.778 5.124 1.996 395 HA SER 66 HA SER 66 13.674 4.803 4.722 396 HB2 SER 66 HB2 SER 66 12.139 7.273 3.866 397 HB3 SER 66 HB1 SER 66 12.508 6.828 5.527 398 HG SER 66 HG SER 66 14.618 7.265 5.197 399 H VAL 67 HN VAL 67 12.088 3.898 6.002 400 HA VAL 67 HA VAL 67 10.253 2.318 4.539 401 HB VAL 67 HB VAL 67 9.526 1.428 6.734 402 HG11 VAL 67 HG11 VAL 67 12.507 1.632 6.348 403 HG12 VAL 67 HG12 VAL 67 11.433 0.454 5.594 404 HG13 VAL 67 HG13 VAL 67 11.680 0.431 7.341 405 HG21 VAL 67 HG21 VAL 67 10.705 2.152 8.764 406 HG22 VAL 67 HG22 VAL 67 9.714 3.439 8.079 407 HG23 VAL 67 HG23 VAL 67 11.460 3.455 7.848 408 H LYS 68 HN LYS 68 9.807 5.266 6.402 409 HA LYS 68 HA LYS 68 6.995 4.976 6.715 410 HB2 LYS 68 HB2 LYS 68 8.801 7.385 6.878 411 HB3 LYS 68 HB1 LYS 68 7.071 7.459 7.188 412 HG2 LYS 68 HG2 LYS 68 7.355 5.812 8.996 413 HG3 LYS 68 HG1 LYS 68 9.097 5.839 8.714 414 HD2 LYS 68 HD2 LYS 68 9.193 8.183 9.283 415 HD3 LYS 68 HD1 LYS 68 7.435 8.250 9.437 416 HE2 LYS 68 HE2 LYS 68 9.321 6.635 11.148 417 HE3 LYS 68 HE1 LYS 68 8.494 8.117 11.625 418 HZ1 LYS 68 HZ1 LYS 68 7.326 6.223 12.486 419 HZ2 LYS 68 HZ2 LYS 68 7.216 5.524 10.954 420 HZ3 LYS 68 HZ3 LYS 68 6.371 6.949 11.294 421 H LYS 69 HN LYS 69 9.018 6.589 4.309 422 HA LYS 69 HA LYS 69 6.720 7.660 2.939 423 HB2 LYS 69 HB2 LYS 69 8.433 8.404 1.237 424 HB3 LYS 69 HB1 LYS 69 8.606 9.073 2.853 425 HG2 LYS 69 HG2 LYS 69 10.376 7.519 3.339 426 HG3 LYS 69 HG1 LYS 69 10.172 6.753 1.766 427 HD2 LYS 69 HD2 LYS 69 12.066 8.267 1.706 428 HD3 LYS 69 HD1 LYS 69 10.775 8.880 0.677 429 HE2 LYS 69 HE2 LYS 69 10.099 10.430 2.439 430 HE3 LYS 69 HE1 LYS 69 11.381 9.811 3.479 431 HZ1 LYS 69 HZ1 LYS 69 12.010 11.878 2.372 432 HZ2 LYS 69 HZ2 LYS 69 11.800 11.148 0.861 433 HZ3 LYS 69 HZ3 LYS 69 13.013 10.601 1.904 434 H ALA 70 HN ALA 70 8.657 4.809 2.834 435 HA ALA 70 HA ALA 70 8.075 3.863 0.286 436 HB1 ALA 70 HB1 ALA 70 9.625 2.751 1.839 437 HB2 ALA 70 HB2 ALA 70 8.423 1.632 1.193 438 HB3 ALA 70 HB3 ALA 70 8.256 2.254 2.834 439 H LYS 71 HN LYS 71 6.295 3.119 3.293 440 HA LYS 71 HA LYS 71 4.051 1.984 2.146 441 HB2 LYS 71 HB2 LYS 71 4.228 3.630 4.675 442 HB3 LYS 71 HB1 LYS 71 2.884 2.583 4.246 443 HG2 LYS 71 HG2 LYS 71 4.413 0.652 4.265 444 HG3 LYS 71 HG1 LYS 71 5.722 1.720 4.766 445 HD2 LYS 71 HD2 LYS 71 3.173 1.219 6.303 446 HD3 LYS 71 HD1 LYS 71 4.748 0.514 6.668 447 HE2 LYS 71 HE2 LYS 71 5.650 2.775 7.028 448 HE3 LYS 71 HE1 LYS 71 4.053 3.447 6.712 449 HZ1 LYS 71 HZ1 LYS 71 4.804 1.657 8.955 450 HZ2 LYS 71 HZ2 LYS 71 3.225 2.160 8.623 451 HZ3 LYS 71 HZ3 LYS 71 4.399 3.297 9.059 452 H ASP 72 HN ASP 72 4.628 5.379 3.002 453 HA ASP 72 HA ASP 72 2.300 6.559 2.201 454 HB2 ASP 72 HB2 ASP 72 4.093 7.846 3.192 455 HB3 ASP 72 HB1 ASP 72 5.120 7.563 1.790 456 H SER 73 HN SER 73 5.073 5.811 0.069 457 HA SER 73 HA SER 73 4.025 6.867 -2.275 458 HB2 SER 73 HB2 SER 73 6.384 6.231 -1.965 459 HB3 SER 73 HB1 SER 73 5.920 4.531 -1.912 460 HG SER 73 HG SER 73 6.502 5.997 -4.030 461 H ALA 74 HN ALA 74 3.772 3.558 -0.977 462 HA ALA 74 HA ALA 74 2.436 2.519 -3.274 463 HB1 ALA 74 HB1 ALA 74 3.713 1.166 -1.616 464 HB2 ALA 74 HB2 ALA 74 2.103 0.542 -1.975 465 HB3 ALA 74 HB3 ALA 74 2.392 1.418 -0.469 466 H ALA 75 HN ALA 75 1.392 3.853 -0.223 467 HA ALA 75 HA ALA 75 -1.365 3.296 -0.361 468 HB1 ALA 75 HB1 ALA 75 -0.043 5.692 0.918 469 HB2 ALA 75 HB2 ALA 75 -0.232 4.105 1.666 470 HB3 ALA 75 HB3 ALA 75 -1.654 5.068 1.267 471 H VAL 76 HN VAL 76 0.521 5.828 -1.957 472 HA VAL 76 HA VAL 76 -1.667 7.434 -2.754 473 HB VAL 76 HB VAL 76 0.983 7.065 -4.172 474 HG11 VAL 76 HG11 VAL 76 -1.054 9.283 -4.323 475 HG12 VAL 76 HG12 VAL 76 -0.664 8.125 -5.596 476 HG13 VAL 76 HG13 VAL 76 0.537 9.308 -5.081 477 HG21 VAL 76 HG21 VAL 76 1.309 7.740 -1.854 478 HG22 VAL 76 HG22 VAL 76 0.175 9.074 -2.071 479 HG23 VAL 76 HG23 VAL 76 1.703 9.064 -2.950 480 H LEU 77 HN LEU 77 -0.197 4.532 -4.031 481 HA LEU 77 HA LEU 77 -1.662 4.514 -6.490 482 HB2 LEU 77 HB2 LEU 77 -0.304 2.248 -5.027 483 HB3 LEU 77 HB1 LEU 77 -0.828 2.229 -6.696 484 HG LEU 77 HG LEU 77 1.330 4.017 -5.578 485 HD11 LEU 77 HD11 LEU 77 2.009 1.677 -5.621 486 HD12 LEU 77 HD12 LEU 77 2.863 2.609 -6.853 487 HD13 LEU 77 HD13 LEU 77 1.522 1.559 -7.312 488 HD21 LEU 77 HD21 LEU 77 0.170 5.039 -7.450 489 HD22 LEU 77 HD22 LEU 77 0.382 3.571 -8.404 490 HD23 LEU 77 HD23 LEU 77 1.787 4.527 -7.932 491 H LEU 78 HN LEU 78 -2.091 3.332 -3.249 492 HA LEU 78 HA LEU 78 -4.317 1.670 -3.594 493 HB2 LEU 78 HB2 LEU 78 -3.047 3.171 -1.401 494 HB3 LEU 78 HB1 LEU 78 -4.716 2.782 -1.148 495 HG LEU 78 HG LEU 78 -2.383 0.931 -1.402 496 HD11 LEU 78 HD11 LEU 78 -4.615 1.266 0.590 497 HD12 LEU 78 HD12 LEU 78 -2.930 1.744 0.797 498 HD13 LEU 78 HD13 LEU 78 -3.354 0.037 0.675 499 HD21 LEU 78 HD21 LEU 78 -5.295 0.220 -1.755 500 HD22 LEU 78 HD22 LEU 78 -4.029 -0.951 -1.378 501 HD23 LEU 78 HD23 LEU 78 -3.978 -0.056 -2.897 502 H LEU 79 HN LEU 79 -4.008 5.132 -3.029 503 HA LEU 79 HA LEU 79 -6.686 5.786 -2.739 504 HB2 LEU 79 HB2 LEU 79 -4.613 7.495 -4.095 505 HB3 LEU 79 HB1 LEU 79 -6.023 8.027 -3.208 506 HG LEU 79 HG LEU 79 -3.512 6.808 -2.098 507 HD11 LEU 79 HD11 LEU 79 -3.359 8.893 -0.861 508 HD12 LEU 79 HD12 LEU 79 -4.843 9.464 -1.622 509 HD13 LEU 79 HD13 LEU 79 -3.402 9.182 -2.600 510 HD21 LEU 79 HD21 LEU 79 -5.295 5.795 -0.887 511 HD22 LEU 79 HD22 LEU 79 -6.121 7.346 -0.699 512 HD23 LEU 79 HD23 LEU 79 -4.589 7.056 0.125 513 H GLU 80 HN GLU 80 -4.769 5.269 -5.655 514 HA GLU 80 HA GLU 80 -6.702 6.268 -7.482 515 HB2 GLU 80 HB2 GLU 80 -4.504 4.236 -7.931 516 HB3 GLU 80 HB1 GLU 80 -5.332 5.177 -9.176 517 HG2 GLU 80 HG2 GLU 80 -3.749 6.440 -6.962 518 HG3 GLU 80 HG1 GLU 80 -3.035 5.964 -8.495 519 H LEU 81 HN LEU 81 -5.914 3.076 -6.216 520 HA LEU 81 HA LEU 81 -7.690 1.559 -7.797 521 HB2 LEU 81 HB2 LEU 81 -5.707 0.839 -6.284 522 HB3 LEU 81 HB1 LEU 81 -6.885 0.869 -4.996 523 HG LEU 81 HG LEU 81 -7.189 -0.828 -7.463 524 HD11 LEU 81 HD11 LEU 81 -6.077 -1.583 -4.762 525 HD12 LEU 81 HD12 LEU 81 -5.162 -1.466 -6.265 526 HD13 LEU 81 HD13 LEU 81 -6.412 -2.697 -6.089 527 HD21 LEU 81 HD21 LEU 81 -8.529 -0.945 -4.759 528 HD22 LEU 81 HD22 LEU 81 -8.791 -2.074 -6.089 529 HD23 LEU 81 HD23 LEU 81 -9.271 -0.385 -6.257 530 H LEU 82 HN LEU 82 -7.907 2.914 -4.554 531 HA LEU 82 HA LEU 82 -10.512 2.143 -3.934 532 HB2 LEU 82 HB2 LEU 82 -8.597 4.194 -2.970 533 HB3 LEU 82 HB1 LEU 82 -10.268 4.366 -2.483 534 HG LEU 82 HG LEU 82 -10.223 2.498 -1.151 535 HD11 LEU 82 HD11 LEU 82 -7.936 1.478 -2.816 536 HD12 LEU 82 HD12 LEU 82 -9.572 0.818 -2.702 537 HD13 LEU 82 HD13 LEU 82 -8.477 0.712 -1.322 538 HD21 LEU 82 HD21 LEU 82 -8.686 4.194 -0.290 539 HD22 LEU 82 HD22 LEU 82 -7.351 3.393 -1.118 540 HD23 LEU 82 HD23 LEU 82 -8.204 2.566 0.186 541 H ASN 83 HN ASN 83 -9.316 4.916 -5.770 542 HA ASN 83 HA ASN 83 -11.870 6.217 -5.847 543 HB2 ASN 83 HB2 ASN 83 -9.659 7.399 -6.049 544 HB3 ASN 83 HB1 ASN 83 -9.462 6.651 -7.627 545 HD21 ASN 83 HD21 ASN 83 -11.258 8.986 -5.770 546 HD22 ASN 83 HD22 ASN 83 -11.946 9.820 -7.118 547 H LYS 84 HN LYS 84 -10.703 3.477 -7.272 548 HA LYS 84 HA LYS 84 -12.398 3.800 -9.651 549 HB2 LYS 84 HB2 LYS 84 -9.976 2.032 -9.276 550 HB3 LYS 84 HB1 LYS 84 -11.002 2.038 -10.706 551 HG2 LYS 84 HG2 LYS 84 -10.341 4.213 -11.297 552 HG3 LYS 84 HG1 LYS 84 -9.610 4.498 -9.720 553 HD2 LYS 84 HD2 LYS 84 -7.836 4.102 -11.270 554 HD3 LYS 84 HD1 LYS 84 -7.976 2.664 -10.255 555 HE2 LYS 84 HE2 LYS 84 -7.684 2.018 -12.572 556 HE3 LYS 84 HE1 LYS 84 -9.299 1.573 -12.025 557 HZ1 LYS 84 HZ1 LYS 84 -10.172 3.548 -13.119 558 HZ2 LYS 84 HZ2 LYS 84 -9.353 2.567 -14.226 559 HZ3 LYS 84 HZ3 LYS 84 -8.620 3.974 -13.640 560 H THR 85 HN THR 85 -13.457 3.138 -7.200 561 HA THR 85 HA THR 85 -13.882 0.257 -7.235 562 HB THR 85 HB THR 85 -15.312 0.846 -5.153 563 HG1 THR 85 HG1 THR 85 -13.639 3.105 -4.956 564 HG21 THR 85 HG21 THR 85 -13.311 0.858 -3.732 565 HG22 THR 85 HG22 THR 85 -12.317 1.233 -5.138 566 HG23 THR 85 HG23 THR 85 -13.167 -0.310 -5.044 Start of MODEL 17 1 H1 ASN 15 HT1 ASN 15 -4.686 5.126 5.612 2 H2 ASN 15 HT2 ASN 15 -5.592 6.307 6.409 3 H3 ASN 15 HT3 ASN 15 -6.010 5.839 4.840 4 HA ASN 15 HA ASN 15 -6.559 3.642 5.586 5 HB2 ASN 15 HB2 ASN 15 -5.787 4.725 8.295 6 HB3 ASN 15 HB1 ASN 15 -6.709 3.242 8.066 7 HD21 ASN 15 HD21 ASN 15 -4.144 3.485 9.303 8 HD22 ASN 15 HD22 ASN 15 -3.038 2.553 8.355 9 H ASP 16 HN ASP 16 -7.373 6.874 6.348 10 HA ASP 16 HA ASP 16 -9.818 6.450 7.710 11 HB2 ASP 16 HB2 ASP 16 -8.765 8.782 6.114 12 HB3 ASP 16 HB1 ASP 16 -10.350 8.807 6.876 13 H ILE 17 HN ILE 17 -8.997 6.767 4.294 14 HA ILE 17 HA ILE 17 -11.624 6.838 3.313 15 HB ILE 17 HB ILE 17 -9.061 5.948 1.993 16 HG12 ILE 17 HG12 ILE 17 -9.481 8.100 0.710 17 HG13 ILE 17 HG11 ILE 17 -10.743 8.446 1.880 18 HG21 ILE 17 HG21 ILE 17 -10.244 6.009 -0.140 19 HG22 ILE 17 HG22 ILE 17 -11.759 6.330 0.703 20 HG23 ILE 17 HG23 ILE 17 -10.935 4.789 0.931 21 HD11 ILE 17 HD11 ILE 17 -9.125 8.459 3.665 22 HD12 ILE 17 HD12 ILE 17 -8.671 9.607 2.402 23 HD13 ILE 17 HD13 ILE 17 -7.839 8.056 2.527 24 H CYS 18 HN CYS 18 -9.476 4.175 4.115 25 HA CYS 18 HA CYS 18 -11.115 2.122 2.982 26 HB2 CYS 18 HB2 CYS 18 -8.693 1.826 3.321 27 HB3 CYS 18 HB1 CYS 18 -8.909 1.984 5.059 28 HG CYS 18 HG CYS 18 -9.807 -0.448 5.548 29 H LEU 19 HN LEU 19 -10.617 3.532 6.134 30 HA LEU 19 HA LEU 19 -12.259 1.837 7.664 31 HB2 LEU 19 HB2 LEU 19 -10.521 3.676 8.254 32 HB3 LEU 19 HB1 LEU 19 -11.900 4.740 8.252 33 HG LEU 19 HG LEU 19 -11.541 2.317 10.025 34 HD11 LEU 19 HD11 LEU 19 -10.039 4.094 10.650 35 HD12 LEU 19 HD12 LEU 19 -11.345 3.975 11.830 36 HD13 LEU 19 HD13 LEU 19 -11.361 5.262 10.625 37 HD21 LEU 19 HD21 LEU 19 -13.888 2.737 9.493 38 HD22 LEU 19 HD22 LEU 19 -13.713 4.407 10.033 39 HD23 LEU 19 HD23 LEU 19 -13.534 3.084 11.185 40 H ARG 20 HN ARG 20 -12.864 4.844 5.912 41 HA ARG 20 HA ARG 20 -15.515 5.293 6.723 42 HB2 ARG 20 HB2 ARG 20 -14.040 6.943 5.583 43 HB3 ARG 20 HB1 ARG 20 -14.237 6.031 4.092 44 HG2 ARG 20 HG2 ARG 20 -15.769 7.783 3.927 45 HG3 ARG 20 HG1 ARG 20 -16.727 6.379 4.400 46 HD2 ARG 20 HD2 ARG 20 -16.717 7.115 6.709 47 HD3 ARG 20 HD1 ARG 20 -15.707 8.495 6.281 48 HE ARG 20 HE ARG 20 -18.114 8.440 4.757 49 HH11 ARG 20 HH11 ARG 20 -16.833 9.237 7.914 50 HH12 ARG 20 HH12 ARG 20 -18.041 10.439 8.243 51 HH21 ARG 20 HH21 ARG 20 -19.696 10.027 5.169 52 HH22 ARG 20 HH22 ARG 20 -19.667 10.899 6.672 53 H LYS 21 HN LYS 21 -14.136 3.294 4.208 54 HA LYS 21 HA LYS 21 -16.588 2.747 2.857 55 HB2 LYS 21 HB2 LYS 21 -13.861 1.488 2.820 56 HB3 LYS 21 HB1 LYS 21 -15.188 0.897 1.824 57 HG2 LYS 21 HG2 LYS 21 -14.003 3.663 1.755 58 HG3 LYS 21 HG1 LYS 21 -13.752 2.386 0.563 59 HD2 LYS 21 HD2 LYS 21 -16.465 3.468 1.246 60 HD3 LYS 21 HD1 LYS 21 -15.469 4.139 -0.019 61 HE2 LYS 21 HE2 LYS 21 -15.397 1.915 -1.088 62 HE3 LYS 21 HE1 LYS 21 -16.498 1.323 0.153 63 HZ1 LYS 21 HZ1 LYS 21 -17.098 3.520 -1.746 64 HZ2 LYS 21 HZ2 LYS 21 -18.158 2.878 -0.599 65 HZ3 LYS 21 HZ3 LYS 21 -17.644 1.929 -1.902 66 H ASN 22 HN ASN 22 -15.673 1.960 5.840 67 HA ASN 22 HA ASN 22 -16.373 0.505 7.421 68 HB2 ASN 22 HB2 ASN 22 -18.591 0.773 6.268 69 HB3 ASN 22 HB1 ASN 22 -18.208 -0.652 5.314 70 HD21 ASN 22 HD21 ASN 22 -19.969 -1.781 6.112 71 HD22 ASN 22 HD22 ASN 22 -20.014 -2.408 7.723 72 H TRP 23 HN TRP 23 -14.234 -0.005 5.485 73 HA TRP 23 HA TRP 23 -14.049 -2.916 5.473 74 HB2 TRP 23 HB2 TRP 23 -12.122 -0.786 4.510 75 HB3 TRP 23 HB1 TRP 23 -11.866 -2.515 4.348 76 HD1 TRP 23 HD1 TRP 23 -15.063 -2.952 3.370 77 HE1 TRP 23 HE1 TRP 23 -15.544 -2.417 0.883 78 HE3 TRP 23 HE3 TRP 23 -11.024 -0.002 2.379 79 HZ2 TRP 23 HZ2 TRP 23 -14.325 -0.961 -1.221 80 HZ3 TRP 23 HZ3 TRP 23 -10.749 0.918 0.124 81 HH2 TRP 23 HH2 TRP 23 -12.368 0.452 -1.640 82 HA PRO 24 HA PRO 24 -11.445 -2.935 9.128 83 HB2 PRO 24 HB2 PRO 24 -9.735 -4.952 8.599 84 HB3 PRO 24 HB1 PRO 24 -11.431 -5.234 9.010 85 HG2 PRO 24 HG2 PRO 24 -10.111 -5.208 6.330 86 HG3 PRO 24 HG1 PRO 24 -11.329 -6.327 6.966 87 HD2 PRO 24 HD2 PRO 24 -11.930 -4.270 5.291 88 HD3 PRO 24 HD1 PRO 24 -13.065 -4.891 6.501 89 H MET 25 HN MET 25 -8.811 -3.315 9.491 90 HA MET 25 HA MET 25 -7.626 -1.050 8.194 91 HB2 MET 25 HB2 MET 25 -6.400 -3.095 10.047 92 HB3 MET 25 HB1 MET 25 -5.682 -1.555 9.595 93 HG2 MET 25 HG2 MET 25 -8.352 -1.662 10.929 94 HG3 MET 25 HG1 MET 25 -6.872 -1.785 11.867 95 HE1 MET 25 HE1 MET 25 -8.099 0.667 8.781 96 HE2 MET 25 HE2 MET 25 -8.628 1.942 9.875 97 HE3 MET 25 HE3 MET 25 -9.341 0.333 9.985 98 HA PRO 26 HA PRO 26 -6.026 -3.296 4.724 99 HB2 PRO 26 HB2 PRO 26 -4.026 -1.175 4.491 100 HB3 PRO 26 HB1 PRO 26 -5.301 -1.635 3.366 101 HG2 PRO 26 HG2 PRO 26 -5.391 0.658 4.787 102 HG3 PRO 26 HG1 PRO 26 -6.850 -0.242 4.337 103 HD2 PRO 26 HD2 PRO 26 -5.432 -0.113 6.963 104 HD3 PRO 26 HD1 PRO 26 -7.172 -0.190 6.614 105 H SER 27 HN SER 27 -4.045 -4.223 3.965 106 HA SER 27 HA SER 27 -2.270 -4.989 6.137 107 HB2 SER 27 HB2 SER 27 -3.191 -6.656 4.509 108 HB3 SER 27 HB1 SER 27 -2.237 -5.875 3.254 109 HG SER 27 HG SER 27 -1.460 -7.776 4.880 110 H TYR 28 HN TYR 28 -0.077 -4.568 6.209 111 HA TYR 28 HA TYR 28 1.066 -2.914 4.130 112 HB2 TYR 28 HB2 TYR 28 0.766 -2.063 7.007 113 HB3 TYR 28 HB1 TYR 28 2.040 -1.414 5.982 114 HD1 TYR 28 HD1 TYR 28 1.500 0.062 4.107 115 HD2 TYR 28 HD2 TYR 28 -1.551 -1.408 6.687 116 HE1 TYR 28 HE1 TYR 28 -0.020 1.786 3.268 117 HE2 TYR 28 HE2 TYR 28 -3.093 0.317 5.845 118 HH TYR 28 HH TYR 28 -2.449 2.153 3.064 119 H ARG 29 HN ARG 29 2.864 -4.047 3.598 120 HA ARG 29 HA ARG 29 4.653 -4.986 5.665 121 HB2 ARG 29 HB2 ARG 29 2.956 -6.797 5.388 122 HB3 ARG 29 HB1 ARG 29 3.433 -6.920 3.703 123 HG2 ARG 29 HG2 ARG 29 5.725 -7.494 4.437 124 HG3 ARG 29 HG1 ARG 29 5.148 -7.485 6.104 125 HD2 ARG 29 HD2 ARG 29 4.238 -9.291 3.876 126 HD3 ARG 29 HD1 ARG 29 5.176 -9.747 5.297 127 HE ARG 29 HE ARG 29 2.907 -8.692 6.346 128 HH11 ARG 29 HH11 ARG 29 3.558 -11.211 4.008 129 HH12 ARG 29 HH12 ARG 29 2.112 -12.099 4.370 130 HH21 ARG 29 HH21 ARG 29 1.007 -9.856 6.830 131 HH22 ARG 29 HH22 ARG 29 0.655 -11.323 5.972 132 H CYS 30 HN CYS 30 6.698 -4.718 4.973 133 HA CYS 30 HA CYS 30 7.257 -3.752 2.377 134 HB2 CYS 30 HB2 CYS 30 9.665 -4.106 3.072 135 HB3 CYS 30 HB1 CYS 30 8.711 -3.089 4.144 136 HG CYS 30 HG CYS 30 10.135 -6.076 4.725 137 H VAL 31 HN VAL 31 7.570 -4.804 0.529 138 HA VAL 31 HA VAL 31 7.533 -7.691 0.539 139 HB VAL 31 HB VAL 31 7.461 -7.533 -1.906 140 HG11 VAL 31 HG11 VAL 31 5.382 -7.469 -0.668 141 HG12 VAL 31 HG12 VAL 31 5.269 -6.425 -2.086 142 HG13 VAL 31 HG13 VAL 31 5.521 -5.721 -0.489 143 HG21 VAL 31 HG21 VAL 31 7.574 -4.553 -1.501 144 HG22 VAL 31 HG22 VAL 31 7.254 -5.375 -3.028 145 HG23 VAL 31 HG23 VAL 31 8.823 -5.549 -2.244 146 H LYS 32 HN LYS 32 9.772 -5.096 -0.208 147 HA LYS 32 HA LYS 32 11.940 -7.036 0.071 148 HB2 LYS 32 HB2 LYS 32 11.504 -6.458 -2.381 149 HB3 LYS 32 HB1 LYS 32 12.029 -4.830 -1.979 150 HG2 LYS 32 HG2 LYS 32 14.192 -5.702 -1.243 151 HG3 LYS 32 HG1 LYS 32 13.675 -7.330 -1.682 152 HD2 LYS 32 HD2 LYS 32 13.444 -6.635 -4.011 153 HD3 LYS 32 HD1 LYS 32 13.930 -4.995 -3.576 154 HE2 LYS 32 HE2 LYS 32 16.094 -5.888 -2.781 155 HE3 LYS 32 HE1 LYS 32 15.603 -7.491 -3.325 156 HZ1 LYS 32 HZ1 LYS 32 15.934 -5.103 -5.052 157 HZ2 LYS 32 HZ2 LYS 32 15.457 -6.633 -5.582 158 HZ3 LYS 32 HZ3 LYS 32 17.008 -6.404 -4.952 159 H GLU 33 HN GLU 33 13.296 -6.386 1.592 160 HA GLU 33 HA GLU 33 14.079 -3.606 1.815 161 HB2 GLU 33 HB2 GLU 33 12.158 -3.681 3.331 162 HB3 GLU 33 HB1 GLU 33 12.831 -5.082 4.148 163 HG2 GLU 33 HG2 GLU 33 14.776 -3.669 4.806 164 HG3 GLU 33 HG1 GLU 33 13.920 -2.281 4.136 165 H GLY 34 HN GLY 34 16.189 -3.418 2.527 166 HA2 GLY 34 HA2 GLY 34 18.220 -4.056 3.423 167 HA3 GLY 34 HA1 GLY 34 17.437 -5.492 4.066 168 H GLY 35 HN GLY 35 18.768 -7.110 3.429 169 HA2 GLY 35 HA2 GLY 35 19.098 -8.691 1.584 170 HA3 GLY 35 HA1 GLY 35 19.267 -7.299 0.530 171 HA PRO 36 HA PRO 36 23.603 -8.582 1.016 172 HB2 PRO 36 HB2 PRO 36 23.733 -6.373 -0.985 173 HB3 PRO 36 HB1 PRO 36 24.490 -7.966 -1.021 174 HG2 PRO 36 HG2 PRO 36 22.362 -7.460 -2.524 175 HG3 PRO 36 HG1 PRO 36 22.547 -9.026 -1.712 176 HD2 PRO 36 HD2 PRO 36 20.797 -6.716 -0.998 177 HD3 PRO 36 HD1 PRO 36 20.475 -8.457 -0.857 178 H ALA 37 HN ALA 37 23.091 -5.157 0.235 179 HA ALA 37 HA ALA 37 23.499 -4.095 2.787 180 HB1 ALA 37 HB1 ALA 37 25.770 -3.256 2.667 181 HB2 ALA 37 HB2 ALA 37 26.002 -4.028 1.103 182 HB3 ALA 37 HB3 ALA 37 25.777 -5.014 2.546 183 H HIS 38 HN HIS 38 24.183 -3.618 -0.648 184 HA HIS 38 HA HIS 38 23.946 -0.787 -0.559 185 HB2 HIS 38 HB2 HIS 38 24.086 -0.860 -2.979 186 HB3 HIS 38 HB1 HIS 38 25.250 -1.984 -2.294 187 HD1 HIS 38 HD1 HIS 38 25.014 -4.440 -2.924 188 HD2 HIS 38 HD2 HIS 38 21.867 -2.096 -4.287 189 HE1 HIS 38 HE1 HIS 38 23.677 -5.921 -4.446 190 HE2 HIS 38 HE2 HIS 38 21.893 -4.426 -5.402 191 H ALA 39 HN ALA 39 21.615 -3.296 -0.718 192 HA ALA 39 HA ALA 39 19.677 -1.689 -2.172 193 HB1 ALA 39 HB1 ALA 39 19.423 -4.487 -1.078 194 HB2 ALA 39 HB2 ALA 39 19.906 -4.066 -2.720 195 HB3 ALA 39 HB3 ALA 39 18.283 -3.678 -2.152 196 H LYS 40 HN LYS 40 20.086 -0.266 -0.043 197 HA LYS 40 HA LYS 40 18.168 -1.046 2.005 198 HB2 LYS 40 HB2 LYS 40 20.496 0.112 2.402 199 HB3 LYS 40 HB1 LYS 40 19.579 1.574 2.078 200 HG2 LYS 40 HG2 LYS 40 19.664 1.214 4.441 201 HG3 LYS 40 HG1 LYS 40 18.013 0.982 3.869 202 HD2 LYS 40 HD2 LYS 40 18.292 -0.800 5.317 203 HD3 LYS 40 HD1 LYS 40 18.667 -1.526 3.758 204 HE2 LYS 40 HE2 LYS 40 20.764 -0.425 5.611 205 HE3 LYS 40 HE1 LYS 40 20.221 -2.097 5.658 206 HZ1 LYS 40 HZ1 LYS 40 21.550 -0.725 3.386 207 HZ2 LYS 40 HZ2 LYS 40 20.919 -2.290 3.314 208 HZ3 LYS 40 HZ3 LYS 40 22.200 -1.946 4.356 209 H ARG 41 HN ARG 41 17.661 -0.096 -0.857 210 HA ARG 41 HA ARG 41 15.746 2.028 -0.331 211 HB2 ARG 41 HB2 ARG 41 15.667 0.290 -2.786 212 HB3 ARG 41 HB1 ARG 41 15.144 1.951 -2.605 213 HG2 ARG 41 HG2 ARG 41 17.531 2.615 -2.374 214 HG3 ARG 41 HG1 ARG 41 17.975 0.952 -2.763 215 HD2 ARG 41 HD2 ARG 41 16.426 2.861 -4.512 216 HD3 ARG 41 HD1 ARG 41 18.090 2.336 -4.752 217 HE ARG 41 HE ARG 41 16.412 0.078 -4.687 218 HH11 ARG 41 HH11 ARG 41 17.141 2.826 -6.720 219 HH12 ARG 41 HH12 ARG 41 16.698 2.023 -8.189 220 HH21 ARG 41 HH21 ARG 41 15.839 -0.994 -6.632 221 HH22 ARG 41 HH22 ARG 41 15.951 -0.145 -8.141 222 H PHE 42 HN PHE 42 13.534 1.673 -0.105 223 HA PHE 42 HA PHE 42 12.936 -1.115 0.616 224 HB2 PHE 42 HB2 PHE 42 11.564 1.336 1.723 225 HB3 PHE 42 HB1 PHE 42 11.489 -0.311 2.338 226 HD1 PHE 42 HD1 PHE 42 14.321 -1.095 2.385 227 HD2 PHE 42 HD2 PHE 42 12.479 2.603 3.403 228 HE1 PHE 42 HE1 PHE 42 16.202 -0.577 3.895 229 HE2 PHE 42 HE2 PHE 42 14.341 3.118 4.916 230 HZ PHE 42 HZ PHE 42 16.203 1.529 5.169 231 H THR 43 HN THR 43 11.301 -2.117 -0.285 232 HA THR 43 HA THR 43 9.463 -0.572 -1.992 233 HB THR 43 HB THR 43 10.490 -3.374 -2.563 234 HG1 THR 43 HG1 THR 43 12.157 -1.816 -2.826 235 HG21 THR 43 HG21 THR 43 9.494 -3.006 -4.778 236 HG22 THR 43 HG22 THR 43 8.918 -1.422 -4.257 237 HG23 THR 43 HG23 THR 43 8.281 -2.883 -3.502 238 H PHE 44 HN PHE 44 7.311 -0.911 -1.420 239 HA PHE 44 HA PHE 44 6.715 -3.290 0.159 240 HB2 PHE 44 HB2 PHE 44 6.714 -1.923 1.979 241 HB3 PHE 44 HB1 PHE 44 6.703 -0.467 0.991 242 HD1 PHE 44 HD2 PHE 44 4.475 -3.184 2.198 243 HD2 PHE 44 HD1 PHE 44 4.839 0.846 0.909 244 HE1 PHE 44 HE2 PHE 44 2.113 -2.804 2.738 245 HE2 PHE 44 HE1 PHE 44 2.484 1.238 1.469 246 HZ PHE 44 HZ PHE 44 1.120 -0.588 2.383 247 H GLY 45 HN GLY 45 4.466 -3.924 0.043 248 HA2 GLY 45 HA2 GLY 45 2.937 -2.550 -2.076 249 HA3 GLY 45 HA1 GLY 45 3.062 -4.304 -2.031 250 H VAL 46 HN VAL 46 0.754 -2.338 -1.738 251 HA VAL 46 HA VAL 46 -0.142 -3.002 1.002 252 HB VAL 46 HB VAL 46 -1.765 -1.160 -0.638 253 HG11 VAL 46 HG11 VAL 46 -0.813 -1.156 2.210 254 HG12 VAL 46 HG12 VAL 46 -2.413 -1.588 1.608 255 HG13 VAL 46 HG13 VAL 46 -1.852 0.080 1.508 256 HG21 VAL 46 HG21 VAL 46 -0.328 0.785 -0.174 257 HG22 VAL 46 HG22 VAL 46 0.381 -0.353 -1.320 258 HG23 VAL 46 HG23 VAL 46 0.945 -0.317 0.349 259 H ARG 47 HN ARG 47 -2.364 -3.733 1.283 260 HA ARG 47 HA ARG 47 -3.931 -4.195 -1.093 261 HB2 ARG 47 HB2 ARG 47 -4.455 -6.540 -0.381 262 HB3 ARG 47 HB1 ARG 47 -2.798 -6.330 -0.926 263 HG2 ARG 47 HG2 ARG 47 -2.091 -6.203 1.437 264 HG3 ARG 47 HG1 ARG 47 -3.755 -6.523 1.918 265 HD2 ARG 47 HD2 ARG 47 -2.658 -8.600 2.013 266 HD3 ARG 47 HD1 ARG 47 -3.600 -8.631 0.523 267 HE ARG 47 HE ARG 47 -0.805 -7.814 0.337 268 HH11 ARG 47 HH11 ARG 47 -3.229 -10.286 -0.161 269 HH12 ARG 47 HH12 ARG 47 -2.228 -11.244 -1.199 270 HH21 ARG 47 HH21 ARG 47 0.533 -9.071 -1.010 271 HH22 ARG 47 HH22 ARG 47 -0.083 -10.553 -1.681 272 H VAL 48 HN VAL 48 -6.143 -4.277 -0.630 273 HA VAL 48 HA VAL 48 -6.857 -3.612 2.163 274 HB VAL 48 HB VAL 48 -7.893 -2.343 -0.379 275 HG11 VAL 48 HG11 VAL 48 -9.345 -0.985 1.047 276 HG12 VAL 48 HG12 VAL 48 -8.843 -1.925 2.453 277 HG13 VAL 48 HG13 VAL 48 -9.756 -2.698 1.157 278 HG21 VAL 48 HG21 VAL 48 -6.619 -1.052 2.018 279 HG22 VAL 48 HG22 VAL 48 -6.949 -0.328 0.443 280 HG23 VAL 48 HG23 VAL 48 -5.710 -1.573 0.604 281 H ASN 49 HN ASN 49 -9.011 -4.195 2.825 282 HA ASN 49 HA ASN 49 -9.931 -6.618 1.473 283 HB2 ASN 49 HB2 ASN 49 -9.466 -6.749 3.890 284 HB3 ASN 49 HB1 ASN 49 -10.674 -5.504 4.183 285 HD21 ASN 49 HD21 ASN 49 -11.012 -8.077 1.824 286 HD22 ASN 49 HD22 ASN 49 -12.299 -8.899 2.631 287 H THR 50 HN THR 50 -10.874 -5.614 -0.195 288 HA THR 50 HA THR 50 -13.049 -3.731 0.111 289 HB THR 50 HB THR 50 -13.581 -4.181 -2.291 290 HG1 THR 50 HG1 THR 50 -11.289 -5.891 -2.129 291 HG21 THR 50 HG21 THR 50 -10.700 -3.535 -1.667 292 HG22 THR 50 HG22 THR 50 -12.048 -2.398 -1.686 293 HG23 THR 50 HG23 THR 50 -11.526 -3.170 -3.183 294 H SER 51 HN SER 51 -14.818 -4.306 1.108 295 HA SER 51 HA SER 51 -15.613 -6.831 1.802 296 HB2 SER 51 HB2 SER 51 -16.480 -4.769 2.820 297 HB3 SER 51 HB1 SER 51 -17.409 -4.439 1.360 298 HG SER 51 HG SER 51 -18.786 -6.019 1.844 299 H ASP 52 HN ASP 52 -16.208 -5.212 -1.228 300 HA ASP 52 HA ASP 52 -18.254 -7.106 -2.008 301 HB2 ASP 52 HB2 ASP 52 -18.493 -5.791 -3.998 302 HB3 ASP 52 HB1 ASP 52 -18.429 -4.716 -2.609 303 H ARG 53 HN ARG 53 -14.821 -6.993 -2.224 304 HA ARG 53 HA ARG 53 -14.911 -9.049 -4.328 305 HB2 ARG 53 HB2 ARG 53 -14.205 -6.904 -5.312 306 HB3 ARG 53 HB1 ARG 53 -12.905 -6.793 -4.137 307 HG2 ARG 53 HG2 ARG 53 -11.972 -8.895 -5.059 308 HG3 ARG 53 HG1 ARG 53 -13.211 -8.838 -6.313 309 HD2 ARG 53 HD2 ARG 53 -11.122 -6.732 -5.784 310 HD3 ARG 53 HD1 ARG 53 -11.096 -7.900 -7.106 311 HE ARG 53 HE ARG 53 -13.464 -6.257 -7.028 312 HH11 ARG 53 HH11 ARG 53 -10.174 -6.497 -8.190 313 HH12 ARG 53 HH12 ARG 53 -10.415 -5.383 -9.496 314 HH21 ARG 53 HH21 ARG 53 -13.787 -4.789 -8.749 315 HH22 ARG 53 HH22 ARG 53 -12.472 -4.422 -9.821 316 H GLY 54 HN GLY 54 -12.911 -7.512 -1.845 317 HA2 GLY 54 HA2 GLY 54 -12.173 -9.044 -0.031 318 HA3 GLY 54 HA1 GLY 54 -11.649 -10.115 -1.316 319 H TRP 55 HN TRP 55 -9.570 -10.030 -0.262 320 HA TRP 55 HA TRP 55 -7.944 -7.814 -0.068 321 HB2 TRP 55 HB2 TRP 55 -7.435 -10.690 -0.627 322 HB3 TRP 55 HB1 TRP 55 -6.115 -9.563 -0.907 323 HD1 TRP 55 HD1 TRP 55 -6.868 -11.855 1.579 324 HE1 TRP 55 HE1 TRP 55 -6.188 -11.097 3.944 325 HE3 TRP 55 HE3 TRP 55 -6.434 -6.841 0.733 326 HZ2 TRP 55 HZ2 TRP 55 -5.545 -8.681 5.255 327 HZ3 TRP 55 HZ3 TRP 55 -5.787 -5.383 2.599 328 HH2 TRP 55 HH2 TRP 55 -5.362 -6.277 4.816 329 H THR 56 HN THR 56 -7.437 -6.317 -1.454 330 HA THR 56 HA THR 56 -7.935 -6.500 -4.241 331 HB THR 56 HB THR 56 -6.795 -4.290 -4.354 332 HG1 THR 56 HG1 THR 56 -5.329 -4.100 -2.813 333 HG21 THR 56 HG21 THR 56 -8.418 -3.081 -2.955 334 HG22 THR 56 HG22 THR 56 -8.819 -4.590 -2.136 335 HG23 THR 56 HG23 THR 56 -9.176 -4.397 -3.852 336 H ASP 57 HN ASP 57 -6.232 -5.911 -5.879 337 HA ASP 57 HA ASP 57 -4.063 -7.732 -5.782 338 HB2 ASP 57 HB2 ASP 57 -3.301 -6.580 -7.857 339 HB3 ASP 57 HB1 ASP 57 -4.975 -7.105 -7.928 340 H GLU 58 HN GLU 58 -2.137 -7.509 -4.955 341 HA GLU 58 HA GLU 58 -1.596 -5.445 -3.162 342 HB2 GLU 58 HB2 GLU 58 -0.710 -7.660 -2.883 343 HB3 GLU 58 HB1 GLU 58 0.244 -7.513 -4.346 344 HG2 GLU 58 HG2 GLU 58 1.566 -5.754 -3.294 345 HG3 GLU 58 HG1 GLU 58 0.601 -5.907 -1.826 346 H CYS 59 HN CYS 59 -0.942 -3.512 -3.467 347 HA CYS 59 HA CYS 59 0.143 -2.746 -6.078 348 HB2 CYS 59 HB2 CYS 59 -1.015 -1.029 -3.873 349 HB3 CYS 59 HB1 CYS 59 -0.508 -0.458 -5.460 350 HG CYS 59 HG CYS 59 -2.773 -2.936 -5.535 351 H ILE 60 HN ILE 60 2.290 -3.003 -6.037 352 HA ILE 60 HA ILE 60 3.925 -2.364 -3.783 353 HB ILE 60 HB ILE 60 4.424 -3.237 -6.606 354 HG12 ILE 60 HG12 ILE 60 5.585 -5.079 -5.514 355 HG13 ILE 60 HG11 ILE 60 5.352 -4.328 -3.943 356 HG21 ILE 60 HG21 ILE 60 6.092 -1.521 -6.266 357 HG22 ILE 60 HG22 ILE 60 6.843 -3.116 -6.258 358 HG23 ILE 60 HG23 ILE 60 6.572 -2.260 -4.739 359 HD11 ILE 60 HD11 ILE 60 3.218 -5.420 -5.755 360 HD12 ILE 60 HD12 ILE 60 2.925 -4.581 -4.232 361 HD13 ILE 60 HD13 ILE 60 3.788 -6.121 -4.239 362 H GLY 61 HN GLY 61 4.739 -0.485 -3.242 363 HA2 GLY 61 HA2 GLY 61 4.257 1.842 -4.890 364 HA3 GLY 61 HA1 GLY 61 4.923 1.830 -3.264 365 H GLU 62 HN GLU 62 6.385 3.431 -4.065 366 HA GLU 62 HA GLU 62 8.324 2.598 -6.069 367 HB2 GLU 62 HB2 GLU 62 8.019 5.232 -4.611 368 HB3 GLU 62 HB1 GLU 62 9.047 4.929 -6.007 369 HG2 GLU 62 HG2 GLU 62 7.137 4.548 -7.404 370 HG3 GLU 62 HG1 GLU 62 6.051 4.649 -6.020 371 HA PRO 63 HA PRO 63 11.372 1.258 -3.062 372 HB2 PRO 63 HB2 PRO 63 13.195 2.248 -5.204 373 HB3 PRO 63 HB1 PRO 63 13.196 0.698 -4.356 374 HG2 PRO 63 HG2 PRO 63 12.295 0.876 -6.854 375 HG3 PRO 63 HG1 PRO 63 11.497 -0.172 -5.668 376 HD2 PRO 63 HD2 PRO 63 10.640 2.476 -6.737 377 HD3 PRO 63 HD1 PRO 63 9.659 1.074 -6.266 378 H MET 64 HN MET 64 11.590 2.613 -1.382 379 HA MET 64 HA MET 64 12.385 5.396 -1.918 380 HB2 MET 64 HB2 MET 64 10.574 4.136 0.105 381 HB3 MET 64 HB1 MET 64 11.314 5.698 0.424 382 HG2 MET 64 HG2 MET 64 9.558 5.026 -1.921 383 HG3 MET 64 HG1 MET 64 9.080 5.935 -0.489 384 HE1 MET 64 HE1 MET 64 8.220 7.448 -2.652 385 HE2 MET 64 HE2 MET 64 9.088 8.981 -2.732 386 HE3 MET 64 HE3 MET 64 8.527 8.367 -1.174 387 HA PRO 65 HA PRO 65 15.908 4.762 0.711 388 HB2 PRO 65 HB2 PRO 65 16.561 7.306 1.234 389 HB3 PRO 65 HB1 PRO 65 16.720 6.625 -0.388 390 HG2 PRO 65 HG2 PRO 65 14.573 8.381 0.726 391 HG3 PRO 65 HG1 PRO 65 15.359 8.444 -0.861 392 HD2 PRO 65 HD2 PRO 65 12.902 7.296 -0.393 393 HD3 PRO 65 HD1 PRO 65 13.969 6.859 -1.740 394 H SER 66 HN SER 66 12.928 5.624 1.907 395 HA SER 66 HA SER 66 13.860 5.255 4.621 396 HB2 SER 66 HB2 SER 66 13.883 7.710 4.330 397 HB3 SER 66 HB1 SER 66 12.199 7.662 3.813 398 HG SER 66 HG SER 66 13.228 6.916 6.357 399 H VAL 67 HN VAL 67 12.312 4.352 5.941 400 HA VAL 67 HA VAL 67 10.451 2.672 4.651 401 HB VAL 67 HB VAL 67 10.567 3.356 7.595 402 HG11 VAL 67 HG11 VAL 67 8.512 2.220 6.989 403 HG12 VAL 67 HG12 VAL 67 9.556 1.140 7.912 404 HG13 VAL 67 HG13 VAL 67 9.426 0.960 6.163 405 HG21 VAL 67 HG21 VAL 67 12.737 2.601 6.801 406 HG22 VAL 67 HG22 VAL 67 11.990 1.182 6.066 407 HG23 VAL 67 HG23 VAL 67 11.986 1.373 7.820 408 H LYS 68 HN LYS 68 10.092 5.782 6.242 409 HA LYS 68 HA LYS 68 7.296 5.741 6.506 410 HB2 LYS 68 HB2 LYS 68 8.517 7.263 7.839 411 HB3 LYS 68 HB1 LYS 68 9.392 7.902 6.456 412 HG2 LYS 68 HG2 LYS 68 7.398 8.941 5.642 413 HG3 LYS 68 HG1 LYS 68 6.456 8.271 6.973 414 HD2 LYS 68 HD2 LYS 68 7.899 9.510 8.561 415 HD3 LYS 68 HD1 LYS 68 8.742 10.234 7.192 416 HE2 LYS 68 HE2 LYS 68 5.806 10.531 7.818 417 HE3 LYS 68 HE1 LYS 68 7.049 11.743 8.117 418 HZ1 LYS 68 HZ1 LYS 68 6.218 10.704 5.464 419 HZ2 LYS 68 HZ2 LYS 68 7.467 11.813 5.719 420 HZ3 LYS 68 HZ3 LYS 68 5.875 12.236 6.092 421 H LYS 69 HN LYS 69 9.486 6.728 3.933 422 HA LYS 69 HA LYS 69 7.490 7.941 2.289 423 HB2 LYS 69 HB2 LYS 69 10.227 6.891 1.545 424 HB3 LYS 69 HB1 LYS 69 9.239 7.978 0.583 425 HG2 LYS 69 HG2 LYS 69 9.457 9.704 2.223 426 HG3 LYS 69 HG1 LYS 69 10.326 8.612 3.304 427 HD2 LYS 69 HD2 LYS 69 11.947 9.999 2.245 428 HD3 LYS 69 HD1 LYS 69 12.076 8.398 1.523 429 HE2 LYS 69 HE2 LYS 69 12.210 10.056 -0.209 430 HE3 LYS 69 HE1 LYS 69 10.687 9.186 -0.369 431 HZ1 LYS 69 HZ1 LYS 69 10.360 11.546 -0.664 432 HZ2 LYS 69 HZ2 LYS 69 11.042 11.874 0.845 433 HZ3 LYS 69 HZ3 LYS 69 9.578 11.038 0.745 434 H ALA 70 HN ALA 70 8.877 4.766 2.685 435 HA ALA 70 HA ALA 70 8.122 3.562 0.297 436 HB1 ALA 70 HB1 ALA 70 8.297 1.440 1.476 437 HB2 ALA 70 HB2 ALA 70 8.245 2.279 3.025 438 HB3 ALA 70 HB3 ALA 70 9.615 2.516 1.940 439 H LYS 71 HN LYS 71 6.381 3.287 3.409 440 HA LYS 71 HA LYS 71 4.044 2.164 2.549 441 HB2 LYS 71 HB2 LYS 71 4.418 4.224 4.697 442 HB3 LYS 71 HB1 LYS 71 2.987 3.220 4.495 443 HG2 LYS 71 HG2 LYS 71 5.769 2.197 5.014 444 HG3 LYS 71 HG1 LYS 71 4.489 2.375 6.194 445 HD2 LYS 71 HD2 LYS 71 3.147 0.724 5.149 446 HD3 LYS 71 HD1 LYS 71 4.226 0.658 3.756 447 HE2 LYS 71 HE2 LYS 71 4.532 -1.256 5.266 448 HE3 LYS 71 HE1 LYS 71 5.988 -0.275 5.121 449 HZ1 LYS 71 HZ1 LYS 71 5.511 0.732 7.238 450 HZ2 LYS 71 HZ2 LYS 71 5.523 -0.949 7.415 451 HZ3 LYS 71 HZ3 LYS 71 4.053 -0.115 7.368 452 H ASP 72 HN ASP 72 4.784 5.613 2.841 453 HA ASP 72 HA ASP 72 2.438 6.736 1.991 454 HB2 ASP 72 HB2 ASP 72 4.287 8.047 2.875 455 HB3 ASP 72 HB1 ASP 72 5.252 7.699 1.444 456 H SER 73 HN SER 73 5.176 5.808 -0.149 457 HA SER 73 HA SER 73 4.006 6.854 -2.472 458 HB2 SER 73 HB2 SER 73 5.694 5.561 -3.692 459 HB3 SER 73 HB1 SER 73 6.402 6.355 -2.287 460 HG SER 73 HG SER 73 6.099 4.292 -1.181 461 H ALA 74 HN ALA 74 3.861 3.603 -1.071 462 HA ALA 74 HA ALA 74 2.492 2.429 -3.283 463 HB1 ALA 74 HB1 ALA 74 2.192 0.526 -1.879 464 HB2 ALA 74 HB2 ALA 74 2.467 1.481 -0.421 465 HB3 ALA 74 HB3 ALA 74 3.796 1.179 -1.547 466 H ALA 75 HN ALA 75 1.502 3.786 -0.209 467 HA ALA 75 HA ALA 75 -1.234 3.345 -0.258 468 HB1 ALA 75 HB1 ALA 75 -1.449 5.266 1.214 469 HB2 ALA 75 HB2 ALA 75 0.167 5.812 0.769 470 HB3 ALA 75 HB3 ALA 75 -0.040 4.302 1.656 471 H VAL 76 HN VAL 76 0.644 5.762 -2.029 472 HA VAL 76 HA VAL 76 -1.480 7.413 -2.853 473 HB VAL 76 HB VAL 76 1.134 6.834 -4.265 474 HG11 VAL 76 HG11 VAL 76 0.778 8.962 -5.420 475 HG12 VAL 76 HG12 VAL 76 -0.803 9.110 -4.654 476 HG13 VAL 76 HG13 VAL 76 -0.497 7.802 -5.795 477 HG21 VAL 76 HG21 VAL 76 1.443 7.718 -2.015 478 HG22 VAL 76 HG22 VAL 76 0.365 9.063 -2.388 479 HG23 VAL 76 HG23 VAL 76 1.906 8.909 -3.231 480 H LEU 77 HN LEU 77 -0.159 4.423 -4.155 481 HA LEU 77 HA LEU 77 -1.695 4.511 -6.586 482 HB2 LEU 77 HB2 LEU 77 -0.222 2.253 -5.220 483 HB3 LEU 77 HB1 LEU 77 -0.965 2.138 -6.799 484 HG LEU 77 HG LEU 77 1.318 3.974 -6.081 485 HD11 LEU 77 HD11 LEU 77 1.279 1.441 -7.715 486 HD12 LEU 77 HD12 LEU 77 1.962 1.615 -6.098 487 HD13 LEU 77 HD13 LEU 77 2.673 2.491 -7.454 488 HD21 LEU 77 HD21 LEU 77 -0.057 4.928 -7.827 489 HD22 LEU 77 HD22 LEU 77 -0.035 3.405 -8.715 490 HD23 LEU 77 HD23 LEU 77 1.451 4.331 -8.519 491 H LEU 78 HN LEU 78 -1.982 3.290 -3.383 492 HA LEU 78 HA LEU 78 -4.207 1.592 -3.696 493 HB2 LEU 78 HB2 LEU 78 -2.554 1.776 -1.779 494 HB3 LEU 78 HB1 LEU 78 -3.463 3.177 -1.262 495 HG LEU 78 HG LEU 78 -5.482 1.700 -1.088 496 HD11 LEU 78 HD11 LEU 78 -4.735 -0.093 -2.563 497 HD12 LEU 78 HD12 LEU 78 -5.085 -0.718 -0.954 498 HD13 LEU 78 HD13 LEU 78 -3.416 -0.468 -1.457 499 HD21 LEU 78 HD21 LEU 78 -4.473 0.512 0.988 500 HD22 LEU 78 HD22 LEU 78 -4.512 2.273 0.932 501 HD23 LEU 78 HD23 LEU 78 -3.009 1.418 0.574 502 H LEU 79 HN LEU 79 -3.866 5.004 -2.806 503 HA LEU 79 HA LEU 79 -6.577 5.576 -2.405 504 HB2 LEU 79 HB2 LEU 79 -4.125 7.131 -2.952 505 HB3 LEU 79 HB1 LEU 79 -5.635 7.929 -3.329 506 HG LEU 79 HG LEU 79 -4.811 8.500 -1.084 507 HD11 LEU 79 HD11 LEU 79 -7.208 8.556 -1.539 508 HD12 LEU 79 HD12 LEU 79 -6.880 8.089 0.130 509 HD13 LEU 79 HD13 LEU 79 -7.344 6.866 -1.051 510 HD21 LEU 79 HD21 LEU 79 -3.671 6.407 -0.576 511 HD22 LEU 79 HD22 LEU 79 -5.226 5.576 -0.487 512 HD23 LEU 79 HD23 LEU 79 -4.828 6.828 0.690 513 H GLU 80 HN GLU 80 -4.694 5.268 -5.328 514 HA GLU 80 HA GLU 80 -6.698 6.424 -7.021 515 HB2 GLU 80 HB2 GLU 80 -4.356 4.633 -7.700 516 HB3 GLU 80 HB1 GLU 80 -5.349 5.504 -8.869 517 HG2 GLU 80 HG2 GLU 80 -4.658 7.618 -7.650 518 HG3 GLU 80 HG1 GLU 80 -3.454 6.625 -6.832 519 H LEU 81 HN LEU 81 -5.803 3.201 -5.978 520 HA LEU 81 HA LEU 81 -7.551 1.724 -7.622 521 HB2 LEU 81 HB2 LEU 81 -5.630 0.832 -6.269 522 HB3 LEU 81 HB1 LEU 81 -6.618 1.043 -4.845 523 HG LEU 81 HG LEU 81 -7.526 -0.717 -7.104 524 HD11 LEU 81 HD11 LEU 81 -6.536 -2.612 -5.923 525 HD12 LEU 81 HD12 LEU 81 -5.794 -1.506 -4.765 526 HD13 LEU 81 HD13 LEU 81 -5.300 -1.474 -6.457 527 HD21 LEU 81 HD21 LEU 81 -9.185 -0.124 -5.405 528 HD22 LEU 81 HD22 LEU 81 -8.104 -0.709 -4.140 529 HD23 LEU 81 HD23 LEU 81 -8.774 -1.836 -5.319 530 H LEU 82 HN LEU 82 -7.854 2.911 -4.309 531 HA LEU 82 HA LEU 82 -10.533 2.204 -3.880 532 HB2 LEU 82 HB2 LEU 82 -8.519 3.938 -2.611 533 HB3 LEU 82 HB1 LEU 82 -10.187 4.345 -2.260 534 HG LEU 82 HG LEU 82 -10.587 2.303 -1.193 535 HD11 LEU 82 HD11 LEU 82 -9.674 0.739 -2.744 536 HD12 LEU 82 HD12 LEU 82 -8.937 0.440 -1.170 537 HD13 LEU 82 HD13 LEU 82 -8.032 1.299 -2.419 538 HD21 LEU 82 HD21 LEU 82 -8.853 2.154 0.513 539 HD22 LEU 82 HD22 LEU 82 -9.219 3.835 0.124 540 HD23 LEU 82 HD23 LEU 82 -7.759 3.080 -0.514 541 H ASN 83 HN ASN 83 -9.238 4.652 -5.866 542 HA ASN 83 HA ASN 83 -11.696 6.236 -5.755 543 HB2 ASN 83 HB2 ASN 83 -9.562 7.453 -5.698 544 HB3 ASN 83 HB1 ASN 83 -9.090 6.717 -7.221 545 HD21 ASN 83 HD21 ASN 83 -9.797 7.582 -9.102 546 HD22 ASN 83 HD22 ASN 83 -10.778 9.002 -9.204 547 H LYS 84 HN LYS 84 -10.463 3.603 -7.288 548 HA LYS 84 HA LYS 84 -12.034 4.054 -9.727 549 HB2 LYS 84 HB2 LYS 84 -9.648 2.259 -9.245 550 HB3 LYS 84 HB1 LYS 84 -10.606 2.235 -10.717 551 HG2 LYS 84 HG2 LYS 84 -9.863 4.334 -11.384 552 HG3 LYS 84 HG1 LYS 84 -9.324 4.762 -9.760 553 HD2 LYS 84 HD2 LYS 84 -7.422 4.289 -11.220 554 HD3 LYS 84 HD1 LYS 84 -7.526 3.104 -9.916 555 HE2 LYS 84 HE2 LYS 84 -8.603 1.525 -11.453 556 HE3 LYS 84 HE1 LYS 84 -8.491 2.711 -12.751 557 HZ1 LYS 84 HZ1 LYS 84 -6.181 1.523 -11.316 558 HZ2 LYS 84 HZ2 LYS 84 -6.092 2.624 -12.597 559 HZ3 LYS 84 HZ3 LYS 84 -6.711 1.073 -12.856 560 H THR 85 HN THR 85 -13.125 3.265 -7.256 561 HA THR 85 HA THR 85 -14.509 0.901 -8.066 562 HB THR 85 HB THR 85 -12.565 -0.172 -7.059 563 HG1 THR 85 HG1 THR 85 -14.723 -1.060 -6.740 564 HG21 THR 85 HG21 THR 85 -12.074 0.065 -4.672 565 HG22 THR 85 HG22 THR 85 -13.305 1.322 -4.549 566 HG23 THR 85 HG23 THR 85 -11.869 1.589 -5.535 Start of MODEL 18 1 H1 ASN 15 HT1 ASN 15 -5.295 6.306 6.023 2 H2 ASN 15 HT2 ASN 15 -5.722 5.257 4.767 3 H3 ASN 15 HT3 ASN 15 -4.459 4.853 5.815 4 HA ASN 15 HA ASN 15 -6.438 3.587 6.337 5 HB2 ASN 15 HB2 ASN 15 -4.826 4.284 8.125 6 HB3 ASN 15 HB1 ASN 15 -5.835 5.687 8.442 7 HD21 ASN 15 HD21 ASN 15 -5.531 2.245 8.737 8 HD22 ASN 15 HD22 ASN 15 -6.842 2.024 9.846 9 H ASP 16 HN ASP 16 -7.044 6.970 5.771 10 HA ASP 16 HA ASP 16 -9.522 7.150 7.169 11 HB2 ASP 16 HB2 ASP 16 -8.344 8.813 4.931 12 HB3 ASP 16 HB1 ASP 16 -9.863 9.194 5.731 13 H ILE 17 HN ILE 17 -8.650 6.689 3.768 14 HA ILE 17 HA ILE 17 -11.210 6.507 2.702 15 HB ILE 17 HB ILE 17 -8.625 5.235 1.808 16 HG12 ILE 17 HG12 ILE 17 -8.896 6.942 -0.040 17 HG13 ILE 17 HG11 ILE 17 -10.224 7.619 0.883 18 HG21 ILE 17 HG21 ILE 17 -9.744 4.781 -0.345 19 HG22 ILE 17 HG22 ILE 17 -11.281 5.237 0.388 20 HG23 ILE 17 HG23 ILE 17 -10.404 3.831 0.986 21 HD11 ILE 17 HD11 ILE 17 -8.735 8.150 2.699 22 HD12 ILE 17 HD12 ILE 17 -8.153 8.863 1.194 23 HD13 ILE 17 HD13 ILE 17 -7.388 7.410 1.837 24 H CYS 18 HN CYS 18 -9.115 4.052 4.082 25 HA CYS 18 HA CYS 18 -10.735 1.812 3.536 26 HB2 CYS 18 HB2 CYS 18 -8.685 2.224 5.725 27 HB3 CYS 18 HB1 CYS 18 -9.242 0.676 5.112 28 HG CYS 18 HG CYS 18 -8.236 1.319 2.464 29 H LEU 19 HN LEU 19 -10.367 3.935 6.302 30 HA LEU 19 HA LEU 19 -12.047 2.574 8.100 31 HB2 LEU 19 HB2 LEU 19 -10.389 4.291 8.683 32 HB3 LEU 19 HB1 LEU 19 -11.396 5.507 7.943 33 HG LEU 19 HG LEU 19 -13.148 5.077 9.617 34 HD11 LEU 19 HD11 LEU 19 -12.623 3.707 11.587 35 HD12 LEU 19 HD12 LEU 19 -11.119 3.196 10.819 36 HD13 LEU 19 HD13 LEU 19 -12.668 2.748 10.108 37 HD21 LEU 19 HD21 LEU 19 -12.009 6.121 11.485 38 HD22 LEU 19 HD22 LEU 19 -11.452 6.820 9.964 39 HD23 LEU 19 HD23 LEU 19 -10.444 5.655 10.821 40 H ARG 20 HN ARG 20 -12.662 5.443 6.080 41 HA ARG 20 HA ARG 20 -15.339 5.794 6.786 42 HB2 ARG 20 HB2 ARG 20 -13.884 7.418 5.537 43 HB3 ARG 20 HB1 ARG 20 -14.122 6.439 4.098 44 HG2 ARG 20 HG2 ARG 20 -16.504 6.853 4.165 45 HG3 ARG 20 HG1 ARG 20 -16.327 7.765 5.664 46 HD2 ARG 20 HD2 ARG 20 -16.505 9.346 3.900 47 HD3 ARG 20 HD1 ARG 20 -14.821 9.336 4.416 48 HE ARG 20 HE ARG 20 -14.880 7.566 2.345 49 HH11 ARG 20 HH11 ARG 20 -15.817 10.913 2.743 50 HH12 ARG 20 HH12 ARG 20 -15.559 11.318 1.077 51 HH21 ARG 20 HH21 ARG 20 -14.554 8.098 0.139 52 HH22 ARG 20 HH22 ARG 20 -14.839 9.723 -0.400 53 H LYS 21 HN LYS 21 -13.880 3.718 4.355 54 HA LYS 21 HA LYS 21 -16.337 3.006 3.079 55 HB2 LYS 21 HB2 LYS 21 -13.497 2.200 2.904 56 HB3 LYS 21 HB1 LYS 21 -14.680 1.012 2.371 57 HG2 LYS 21 HG2 LYS 21 -14.412 3.826 1.337 58 HG3 LYS 21 HG1 LYS 21 -13.896 2.353 0.510 59 HD2 LYS 21 HD2 LYS 21 -16.244 1.554 0.599 60 HD3 LYS 21 HD1 LYS 21 -16.702 3.120 1.265 61 HE2 LYS 21 HE2 LYS 21 -15.769 4.189 -0.773 62 HE3 LYS 21 HE1 LYS 21 -15.468 2.585 -1.427 63 HZ1 LYS 21 HZ1 LYS 21 -17.528 3.467 -2.275 64 HZ2 LYS 21 HZ2 LYS 21 -18.123 3.697 -0.711 65 HZ3 LYS 21 HZ3 LYS 21 -17.844 2.131 -1.288 66 H ASN 22 HN ASN 22 -15.247 2.350 6.029 67 HA ASN 22 HA ASN 22 -15.753 0.910 7.694 68 HB2 ASN 22 HB2 ASN 22 -18.071 1.369 6.811 69 HB3 ASN 22 HB1 ASN 22 -17.947 -0.127 5.899 70 HD21 ASN 22 HD21 ASN 22 -18.025 1.261 9.114 71 HD22 ASN 22 HD22 ASN 22 -18.546 -0.175 9.924 72 H TRP 23 HN TRP 23 -13.795 0.178 5.792 73 HA TRP 23 HA TRP 23 -13.982 -2.740 5.696 74 HB2 TRP 23 HB2 TRP 23 -11.824 -0.839 4.742 75 HB3 TRP 23 HB1 TRP 23 -11.774 -2.583 4.552 76 HD1 TRP 23 HD1 TRP 23 -14.918 -2.804 3.546 77 HE1 TRP 23 HE1 TRP 23 -15.404 -2.108 1.103 78 HE3 TRP 23 HE3 TRP 23 -10.798 0.076 2.706 79 HZ2 TRP 23 HZ2 TRP 23 -14.154 -0.547 -0.920 80 HZ3 TRP 23 HZ3 TRP 23 -10.514 1.137 0.518 81 HH2 TRP 23 HH2 TRP 23 -12.160 0.834 -1.261 82 HA PRO 24 HA PRO 24 -11.310 -3.202 9.284 83 HB2 PRO 24 HB2 PRO 24 -9.718 -5.259 8.492 84 HB3 PRO 24 HB1 PRO 24 -11.370 -5.480 9.072 85 HG2 PRO 24 HG2 PRO 24 -10.334 -5.421 6.278 86 HG3 PRO 24 HG1 PRO 24 -11.573 -6.464 6.993 87 HD2 PRO 24 HD2 PRO 24 -12.167 -4.315 5.447 88 HD3 PRO 24 HD1 PRO 24 -13.225 -4.872 6.754 89 H MET 25 HN MET 25 -8.766 -3.465 9.667 90 HA MET 25 HA MET 25 -7.673 -1.173 8.340 91 HB2 MET 25 HB2 MET 25 -6.421 -3.013 10.377 92 HB3 MET 25 HB1 MET 25 -5.832 -1.423 9.912 93 HG2 MET 25 HG2 MET 25 -8.552 -1.843 11.100 94 HG3 MET 25 HG1 MET 25 -7.121 -1.602 12.087 95 HE1 MET 25 HE1 MET 25 -10.029 0.020 10.305 96 HE2 MET 25 HE2 MET 25 -8.953 0.082 8.910 97 HE3 MET 25 HE3 MET 25 -9.437 1.575 9.716 98 HA PRO 26 HA PRO 26 -5.942 -3.381 4.932 99 HB2 PRO 26 HB2 PRO 26 -4.055 -1.414 4.360 100 HB3 PRO 26 HB1 PRO 26 -5.689 -1.508 3.713 101 HG2 PRO 26 HG2 PRO 26 -4.632 0.150 5.936 102 HG3 PRO 26 HG1 PRO 26 -5.920 0.512 4.779 103 HD2 PRO 26 HD2 PRO 26 -6.416 -0.154 7.338 104 HD3 PRO 26 HD1 PRO 26 -7.507 -0.607 6.012 105 H SER 27 HN SER 27 -3.947 -4.173 4.150 106 HA SER 27 HA SER 27 -2.158 -4.985 6.294 107 HB2 SER 27 HB2 SER 27 -3.086 -6.609 4.646 108 HB3 SER 27 HB1 SER 27 -2.196 -5.774 3.383 109 HG SER 27 HG SER 27 -0.353 -6.593 4.093 110 H TYR 28 HN TYR 28 0.058 -4.600 6.334 111 HA TYR 28 HA TYR 28 1.206 -2.952 4.259 112 HB2 TYR 28 HB2 TYR 28 0.955 -2.071 7.129 113 HB3 TYR 28 HB1 TYR 28 2.236 -1.462 6.089 114 HD1 TYR 28 HD1 TYR 28 1.716 0.024 4.209 115 HD2 TYR 28 HD2 TYR 28 -1.348 -1.382 6.808 116 HE1 TYR 28 HE1 TYR 28 0.211 1.760 3.355 117 HE2 TYR 28 HE2 TYR 28 -2.857 0.357 5.959 118 HH TYR 28 HH TYR 28 -2.774 2.507 4.848 119 H ARG 29 HN ARG 29 2.975 -4.114 3.704 120 HA ARG 29 HA ARG 29 4.839 -4.994 5.712 121 HB2 ARG 29 HB2 ARG 29 3.194 -6.844 5.681 122 HB3 ARG 29 HB1 ARG 29 3.439 -7.021 3.950 123 HG2 ARG 29 HG2 ARG 29 5.767 -7.643 4.335 124 HG3 ARG 29 HG1 ARG 29 5.533 -7.452 6.073 125 HD2 ARG 29 HD2 ARG 29 3.823 -9.209 6.024 126 HD3 ARG 29 HD1 ARG 29 4.084 -9.409 4.293 127 HE ARG 29 HE ARG 29 6.545 -9.729 5.565 128 HH11 ARG 29 HH11 ARG 29 3.437 -11.348 5.439 129 HH12 ARG 29 HH12 ARG 29 4.109 -12.923 5.725 130 HH21 ARG 29 HH21 ARG 29 7.421 -11.788 5.947 131 HH22 ARG 29 HH22 ARG 29 6.380 -13.176 5.995 132 H CYS 30 HN CYS 30 6.867 -4.882 4.877 133 HA CYS 30 HA CYS 30 7.171 -3.829 2.253 134 HB2 CYS 30 HB2 CYS 30 9.624 -3.962 2.767 135 HB3 CYS 30 HB1 CYS 30 8.675 -3.068 3.947 136 HG CYS 30 HG CYS 30 9.666 -6.313 4.382 137 H VAL 31 HN VAL 31 7.662 -4.769 0.398 138 HA VAL 31 HA VAL 31 7.709 -7.661 0.282 139 HB VAL 31 HB VAL 31 7.912 -5.713 -2.021 140 HG11 VAL 31 HG11 VAL 31 7.030 -7.566 -3.344 141 HG12 VAL 31 HG12 VAL 31 7.005 -8.586 -1.906 142 HG13 VAL 31 HG13 VAL 31 8.541 -8.009 -2.552 143 HG21 VAL 31 HG21 VAL 31 5.444 -6.886 -0.748 144 HG22 VAL 31 HG22 VAL 31 5.473 -6.005 -2.275 145 HG23 VAL 31 HG23 VAL 31 5.910 -5.187 -0.774 146 H LYS 32 HN LYS 32 9.876 -4.947 -0.136 147 HA LYS 32 HA LYS 32 12.123 -6.803 -0.277 148 HB2 LYS 32 HB2 LYS 32 11.567 -6.176 -2.605 149 HB3 LYS 32 HB1 LYS 32 11.753 -4.488 -2.167 150 HG2 LYS 32 HG2 LYS 32 14.111 -4.916 -1.608 151 HG3 LYS 32 HG1 LYS 32 13.907 -6.579 -2.165 152 HD2 LYS 32 HD2 LYS 32 13.331 -5.789 -4.385 153 HD3 LYS 32 HD1 LYS 32 13.446 -4.117 -3.836 154 HE2 LYS 32 HE2 LYS 32 15.825 -4.475 -3.325 155 HE3 LYS 32 HE1 LYS 32 15.692 -6.121 -3.946 156 HZ1 LYS 32 HZ1 LYS 32 15.188 -3.654 -5.520 157 HZ2 LYS 32 HZ2 LYS 32 15.124 -5.240 -6.106 158 HZ3 LYS 32 HZ3 LYS 32 16.598 -4.589 -5.594 159 H GLU 33 HN GLU 33 13.587 -6.243 1.133 160 HA GLU 33 HA GLU 33 14.283 -3.453 1.592 161 HB2 GLU 33 HB2 GLU 33 12.626 -3.842 3.325 162 HB3 GLU 33 HB1 GLU 33 13.423 -5.336 3.801 163 HG2 GLU 33 HG2 GLU 33 15.463 -3.802 4.256 164 HG3 GLU 33 HG1 GLU 33 14.262 -2.510 4.272 165 H GLY 34 HN GLY 34 16.461 -3.210 1.953 166 HA2 GLY 34 HA2 GLY 34 18.560 -3.737 2.770 167 HA3 GLY 34 HA1 GLY 34 17.948 -5.306 3.259 168 H GLY 35 HN GLY 35 20.421 -5.117 2.262 169 HA2 GLY 35 HA2 GLY 35 20.683 -7.035 0.352 170 HA3 GLY 35 HA1 GLY 35 20.535 -5.548 -0.573 171 HA PRO 36 HA PRO 36 25.080 -6.079 0.096 172 HB2 PRO 36 HB2 PRO 36 24.915 -4.074 -2.107 173 HB3 PRO 36 HB1 PRO 36 25.959 -5.488 -1.951 174 HG2 PRO 36 HG2 PRO 36 23.872 -5.532 -3.589 175 HG3 PRO 36 HG1 PRO 36 24.295 -6.958 -2.623 176 HD2 PRO 36 HD2 PRO 36 22.106 -4.971 -2.217 177 HD3 PRO 36 HD1 PRO 36 22.104 -6.722 -1.928 178 H ALA 37 HN ALA 37 24.029 -2.896 -1.062 179 HA ALA 37 HA ALA 37 24.076 -1.637 1.483 180 HB1 ALA 37 HB1 ALA 37 26.009 -0.195 1.206 181 HB2 ALA 37 HB2 ALA 37 26.395 -0.965 -0.331 182 HB3 ALA 37 HB3 ALA 37 26.515 -1.885 1.167 183 H HIS 38 HN HIS 38 24.400 -1.296 -2.000 184 HA HIS 38 HA HIS 38 22.978 1.195 -2.103 185 HB2 HIS 38 HB2 HIS 38 22.992 0.856 -4.554 186 HB3 HIS 38 HB1 HIS 38 24.592 0.666 -3.855 187 HD1 HIS 38 HD1 HIS 38 25.800 -1.452 -4.388 188 HD2 HIS 38 HD2 HIS 38 21.748 -1.685 -5.276 189 HE1 HIS 38 HE1 HIS 38 25.488 -3.665 -5.530 190 HE2 HIS 38 HE2 HIS 38 23.006 -3.858 -5.905 191 H ALA 39 HN ALA 39 21.736 -1.251 -0.836 192 HA ALA 39 HA ALA 39 19.283 -1.331 -2.453 193 HB1 ALA 39 HB1 ALA 39 20.520 -3.420 -2.714 194 HB2 ALA 39 HB2 ALA 39 18.996 -3.677 -1.865 195 HB3 ALA 39 HB3 ALA 39 20.512 -3.641 -0.965 196 H LYS 40 HN LYS 40 20.041 0.292 -0.090 197 HA LYS 40 HA LYS 40 18.186 -0.726 1.912 198 HB2 LYS 40 HB2 LYS 40 20.415 0.540 2.413 199 HB3 LYS 40 HB1 LYS 40 19.455 1.972 2.075 200 HG2 LYS 40 HG2 LYS 40 19.435 1.654 4.416 201 HG3 LYS 40 HG1 LYS 40 17.837 1.234 3.800 202 HD2 LYS 40 HD2 LYS 40 18.395 -1.135 3.919 203 HD3 LYS 40 HD1 LYS 40 20.014 -0.735 4.497 204 HE2 LYS 40 HE2 LYS 40 19.072 0.297 6.484 205 HE3 LYS 40 HE1 LYS 40 17.441 -0.019 5.900 206 HZ1 LYS 40 HZ1 LYS 40 18.123 -1.647 7.540 207 HZ2 LYS 40 HZ2 LYS 40 19.457 -2.084 6.598 208 HZ3 LYS 40 HZ3 LYS 40 17.894 -2.388 6.040 209 H ARG 41 HN ARG 41 17.639 0.352 -0.896 210 HA ARG 41 HA ARG 41 15.549 2.279 -0.276 211 HB2 ARG 41 HB2 ARG 41 15.937 0.781 -2.873 212 HB3 ARG 41 HB1 ARG 41 14.962 2.213 -2.613 213 HG2 ARG 41 HG2 ARG 41 16.966 3.521 -2.168 214 HG3 ARG 41 HG1 ARG 41 17.963 2.085 -2.413 215 HD2 ARG 41 HD2 ARG 41 17.171 1.923 -4.715 216 HD3 ARG 41 HD1 ARG 41 16.148 3.337 -4.472 217 HE ARG 41 HE ARG 41 18.685 4.167 -3.837 218 HH11 ARG 41 HH11 ARG 41 17.174 2.733 -6.648 219 HH12 ARG 41 HH12 ARG 41 18.213 3.535 -7.777 220 HH21 ARG 41 HH21 ARG 41 20.069 5.223 -5.322 221 HH22 ARG 41 HH22 ARG 41 19.863 4.947 -7.023 222 H PHE 42 HN PHE 42 13.436 1.763 -0.034 223 HA PHE 42 HA PHE 42 12.972 -1.115 0.377 224 HB2 PHE 42 HB2 PHE 42 11.421 1.086 1.725 225 HB3 PHE 42 HB1 PHE 42 11.582 -0.597 2.216 226 HD1 PHE 42 HD1 PHE 42 14.358 -1.157 2.338 227 HD2 PHE 42 HD2 PHE 42 12.359 2.488 3.251 228 HE1 PHE 42 HE1 PHE 42 16.219 -0.508 3.822 229 HE2 PHE 42 HE2 PHE 42 14.200 3.126 4.746 230 HZ PHE 42 HZ PHE 42 16.128 1.626 5.038 231 H THR 43 HN THR 43 11.272 -2.097 -0.491 232 HA THR 43 HA THR 43 9.402 -0.475 -2.089 233 HB THR 43 HB THR 43 10.449 -3.212 -2.853 234 HG1 THR 43 HG1 THR 43 11.557 -0.729 -3.150 235 HG21 THR 43 HG21 THR 43 8.899 -1.134 -4.402 236 HG22 THR 43 HG22 THR 43 8.258 -2.652 -3.774 237 HG23 THR 43 HG23 THR 43 9.483 -2.671 -5.043 238 H PHE 44 HN PHE 44 7.289 -0.826 -1.447 239 HA PHE 44 HA PHE 44 6.738 -3.290 0.021 240 HB2 PHE 44 HB2 PHE 44 6.808 -2.016 1.905 241 HB3 PHE 44 HB1 PHE 44 6.778 -0.514 0.990 242 HD1 PHE 44 HD2 PHE 44 4.646 -3.236 2.266 243 HD2 PHE 44 HD1 PHE 44 4.854 0.781 0.904 244 HE1 PHE 44 HE2 PHE 44 2.350 -2.861 3.030 245 HE2 PHE 44 HE1 PHE 44 2.558 1.168 1.680 246 HZ PHE 44 HZ PHE 44 1.241 -0.666 2.536 247 H GLY 45 HN GLY 45 4.443 -3.855 0.026 248 HA2 GLY 45 HA2 GLY 45 2.873 -2.414 -2.014 249 HA3 GLY 45 HA1 GLY 45 2.961 -4.170 -1.997 250 H VAL 46 HN VAL 46 0.707 -2.160 -1.603 251 HA VAL 46 HA VAL 46 -0.142 -2.919 1.127 252 HB VAL 46 HB VAL 46 -1.770 -1.004 -0.441 253 HG11 VAL 46 HG11 VAL 46 -0.882 -1.172 2.426 254 HG12 VAL 46 HG12 VAL 46 -2.474 -1.552 1.765 255 HG13 VAL 46 HG13 VAL 46 -1.897 0.115 1.777 256 HG21 VAL 46 HG21 VAL 46 -0.330 0.908 0.193 257 HG22 VAL 46 HG22 VAL 46 0.366 -0.142 -1.038 258 HG23 VAL 46 HG23 VAL 46 0.931 -0.244 0.627 259 H ARG 47 HN ARG 47 -2.330 -3.694 1.421 260 HA ARG 47 HA ARG 47 -3.905 -4.185 -0.948 261 HB2 ARG 47 HB2 ARG 47 -4.332 -6.544 -0.280 262 HB3 ARG 47 HB1 ARG 47 -2.662 -6.277 -0.759 263 HG2 ARG 47 HG2 ARG 47 -2.019 -6.174 1.596 264 HG3 ARG 47 HG1 ARG 47 -3.694 -6.459 2.060 265 HD2 ARG 47 HD2 ARG 47 -2.751 -8.565 2.210 266 HD3 ARG 47 HD1 ARG 47 -3.486 -8.582 0.608 267 HE ARG 47 HE ARG 47 -0.866 -7.725 0.281 268 HH11 ARG 47 HH11 ARG 47 -2.532 -10.581 1.413 269 HH12 ARG 47 HH12 ARG 47 -1.266 -11.667 0.941 270 HH21 ARG 47 HH21 ARG 47 0.823 -9.131 -0.313 271 HH22 ARG 47 HH22 ARG 47 0.646 -10.843 -0.043 272 H VAL 48 HN VAL 48 -6.092 -4.171 -0.471 273 HA VAL 48 HA VAL 48 -6.780 -3.628 2.361 274 HB VAL 48 HB VAL 48 -8.011 -2.299 -0.055 275 HG11 VAL 48 HG11 VAL 48 -8.394 -1.791 2.890 276 HG12 VAL 48 HG12 VAL 48 -9.576 -2.496 1.786 277 HG13 VAL 48 HG13 VAL 48 -9.076 -0.816 1.588 278 HG21 VAL 48 HG21 VAL 48 -5.662 -1.604 0.418 279 HG22 VAL 48 HG22 VAL 48 -6.212 -1.045 1.998 280 HG23 VAL 48 HG23 VAL 48 -6.850 -0.307 0.531 281 H ASN 49 HN ASN 49 -8.981 -4.155 2.965 282 HA ASN 49 HA ASN 49 -9.981 -6.470 1.506 283 HB2 ASN 49 HB2 ASN 49 -9.700 -6.783 3.891 284 HB3 ASN 49 HB1 ASN 49 -10.665 -5.351 4.226 285 HD21 ASN 49 HD21 ASN 49 -10.755 -8.648 3.068 286 HD22 ASN 49 HD22 ASN 49 -12.450 -8.891 3.322 287 H THR 50 HN THR 50 -10.757 -5.338 -0.198 288 HA THR 50 HA THR 50 -12.895 -3.400 0.134 289 HB THR 50 HB THR 50 -13.232 -3.606 -2.348 290 HG1 THR 50 HG1 THR 50 -11.344 -5.631 -1.956 291 HG21 THR 50 HG21 THR 50 -11.140 -2.462 -2.923 292 HG22 THR 50 HG22 THR 50 -10.444 -2.980 -1.386 293 HG23 THR 50 HG23 THR 50 -11.820 -1.876 -1.404 294 H SER 51 HN SER 51 -14.695 -4.067 0.975 295 HA SER 51 HA SER 51 -15.501 -6.602 1.466 296 HB2 SER 51 HB2 SER 51 -16.448 -4.531 2.466 297 HB3 SER 51 HB1 SER 51 -17.382 -4.283 0.992 298 HG SER 51 HG SER 51 -17.566 -6.518 2.745 299 H ASP 52 HN ASP 52 -16.201 -4.801 -1.484 300 HA ASP 52 HA ASP 52 -18.169 -6.560 -2.482 301 HB2 ASP 52 HB2 ASP 52 -17.833 -5.432 -4.628 302 HB3 ASP 52 HB1 ASP 52 -17.966 -4.292 -3.298 303 H ARG 53 HN ARG 53 -14.673 -6.780 -2.509 304 HA ARG 53 HA ARG 53 -14.884 -9.121 -4.285 305 HB2 ARG 53 HB2 ARG 53 -14.072 -7.208 -5.586 306 HB3 ARG 53 HB1 ARG 53 -12.782 -6.954 -4.423 307 HG2 ARG 53 HG2 ARG 53 -11.798 -9.094 -5.022 308 HG3 ARG 53 HG1 ARG 53 -13.116 -9.392 -6.158 309 HD2 ARG 53 HD2 ARG 53 -12.471 -7.411 -7.430 310 HD3 ARG 53 HD1 ARG 53 -11.162 -7.102 -6.294 311 HE ARG 53 HE ARG 53 -10.833 -9.687 -7.307 312 HH11 ARG 53 HH11 ARG 53 -10.751 -6.377 -8.435 313 HH12 ARG 53 HH12 ARG 53 -9.588 -6.694 -9.684 314 HH21 ARG 53 HH21 ARG 53 -9.292 -10.114 -8.942 315 HH22 ARG 53 HH22 ARG 53 -8.756 -8.823 -9.970 316 H GLY 54 HN GLY 54 -12.994 -7.399 -1.863 317 HA2 GLY 54 HA2 GLY 54 -12.239 -8.772 0.052 318 HA3 GLY 54 HA1 GLY 54 -11.685 -9.924 -1.140 319 H TRP 55 HN TRP 55 -9.591 -9.832 -0.301 320 HA TRP 55 HA TRP 55 -7.962 -7.630 -0.042 321 HB2 TRP 55 HB2 TRP 55 -7.449 -10.462 -0.809 322 HB3 TRP 55 HB1 TRP 55 -6.147 -9.303 -1.021 323 HD1 TRP 55 HD1 TRP 55 -6.815 -11.792 1.282 324 HE1 TRP 55 HE1 TRP 55 -6.119 -11.223 3.694 325 HE3 TRP 55 HE3 TRP 55 -6.454 -6.719 0.848 326 HZ2 TRP 55 HZ2 TRP 55 -5.486 -8.918 5.195 327 HZ3 TRP 55 HZ3 TRP 55 -5.793 -5.413 2.819 328 HH2 TRP 55 HH2 TRP 55 -5.328 -6.484 4.949 329 H THR 56 HN THR 56 -7.466 -6.050 -1.358 330 HA THR 56 HA THR 56 -7.897 -6.079 -4.158 331 HB THR 56 HB THR 56 -6.671 -3.926 -4.163 332 HG1 THR 56 HG1 THR 56 -5.160 -3.903 -2.648 333 HG21 THR 56 HG21 THR 56 -9.047 -3.952 -3.595 334 HG22 THR 56 HG22 THR 56 -8.194 -2.695 -2.697 335 HG23 THR 56 HG23 THR 56 -8.645 -4.201 -1.896 336 H ASP 57 HN ASP 57 -6.279 -5.927 -5.849 337 HA ASP 57 HA ASP 57 -4.092 -7.675 -5.568 338 HB2 ASP 57 HB2 ASP 57 -3.309 -6.803 -7.738 339 HB3 ASP 57 HB1 ASP 57 -5.016 -7.212 -7.771 340 H GLU 58 HN GLU 58 -2.146 -7.394 -4.800 341 HA GLU 58 HA GLU 58 -1.723 -5.287 -3.034 342 HB2 GLU 58 HB2 GLU 58 -0.814 -7.490 -2.681 343 HB3 GLU 58 HB1 GLU 58 0.220 -7.335 -4.089 344 HG2 GLU 58 HG2 GLU 58 1.530 -5.661 -3.013 345 HG3 GLU 58 HG1 GLU 58 0.399 -5.568 -1.663 346 H CYS 59 HN CYS 59 -1.080 -3.352 -3.323 347 HA CYS 59 HA CYS 59 -0.033 -2.549 -5.931 348 HB2 CYS 59 HB2 CYS 59 -1.011 -0.825 -3.646 349 HB3 CYS 59 HB1 CYS 59 -0.693 -0.298 -5.297 350 HG CYS 59 HG CYS 59 -2.909 -2.795 -5.112 351 H ILE 60 HN ILE 60 2.111 -2.802 -5.991 352 HA ILE 60 HA ILE 60 3.809 -2.242 -3.754 353 HB ILE 60 HB ILE 60 4.210 -3.157 -6.573 354 HG12 ILE 60 HG12 ILE 60 5.337 -5.017 -5.496 355 HG13 ILE 60 HG11 ILE 60 5.206 -4.234 -3.929 356 HG21 ILE 60 HG21 ILE 60 6.445 -2.206 -4.797 357 HG22 ILE 60 HG22 ILE 60 5.939 -1.487 -6.326 358 HG23 ILE 60 HG23 ILE 60 6.643 -3.104 -6.302 359 HD11 ILE 60 HD11 ILE 60 3.570 -5.971 -4.115 360 HD12 ILE 60 HD12 ILE 60 2.963 -5.292 -5.625 361 HD13 ILE 60 HD13 ILE 60 2.755 -4.407 -4.113 362 H GLY 61 HN GLY 61 4.713 -0.399 -3.235 363 HA2 GLY 61 HA2 GLY 61 4.340 1.944 -4.899 364 HA3 GLY 61 HA1 GLY 61 5.030 1.905 -3.281 365 H GLU 62 HN GLU 62 6.544 3.447 -4.351 366 HA GLU 62 HA GLU 62 8.450 2.264 -6.191 367 HB2 GLU 62 HB2 GLU 62 8.338 5.012 -4.934 368 HB3 GLU 62 HB1 GLU 62 9.521 4.503 -6.131 369 HG2 GLU 62 HG2 GLU 62 7.626 4.060 -7.693 370 HG3 GLU 62 HG1 GLU 62 6.555 4.800 -6.504 371 HA PRO 63 HA PRO 63 11.529 1.178 -3.101 372 HB2 PRO 63 HB2 PRO 63 13.449 2.164 -5.142 373 HB3 PRO 63 HB1 PRO 63 13.381 0.595 -4.330 374 HG2 PRO 63 HG2 PRO 63 12.651 0.853 -6.884 375 HG3 PRO 63 HG1 PRO 63 11.786 -0.239 -5.788 376 HD2 PRO 63 HD2 PRO 63 10.996 2.469 -6.781 377 HD3 PRO 63 HD1 PRO 63 9.994 1.030 -6.501 378 H MET 64 HN MET 64 11.605 2.606 -1.461 379 HA MET 64 HA MET 64 12.390 5.383 -2.056 380 HB2 MET 64 HB2 MET 64 10.559 4.377 0.125 381 HB3 MET 64 HB1 MET 64 10.990 6.056 -0.164 382 HG2 MET 64 HG2 MET 64 9.457 4.276 -2.044 383 HG3 MET 64 HG1 MET 64 8.789 5.540 -1.024 384 HE1 MET 64 HE1 MET 64 8.852 8.056 -1.524 385 HE2 MET 64 HE2 MET 64 10.006 8.805 -2.629 386 HE3 MET 64 HE3 MET 64 10.582 7.964 -1.191 387 HA PRO 65 HA PRO 65 15.732 4.692 0.703 388 HB2 PRO 65 HB2 PRO 65 16.475 7.194 1.277 389 HB3 PRO 65 HB1 PRO 65 16.595 6.548 -0.365 390 HG2 PRO 65 HG2 PRO 65 14.498 8.325 0.823 391 HG3 PRO 65 HG1 PRO 65 15.294 8.441 -0.757 392 HD2 PRO 65 HD2 PRO 65 12.812 7.341 -0.367 393 HD3 PRO 65 HD1 PRO 65 13.888 6.904 -1.706 394 H SER 66 HN SER 66 12.800 5.487 1.942 395 HA SER 66 HA SER 66 13.725 5.163 4.658 396 HB2 SER 66 HB2 SER 66 12.086 7.587 3.862 397 HB3 SER 66 HB1 SER 66 12.546 7.147 5.504 398 HG SER 66 HG SER 66 14.757 7.208 4.038 399 H VAL 67 HN VAL 67 12.173 4.194 5.942 400 HA VAL 67 HA VAL 67 10.356 2.594 4.484 401 HB VAL 67 HB VAL 67 9.634 1.686 6.664 402 HG11 VAL 67 HG11 VAL 67 12.615 1.951 6.323 403 HG12 VAL 67 HG12 VAL 67 11.575 0.752 5.553 404 HG13 VAL 67 HG13 VAL 67 11.799 0.730 7.301 405 HG21 VAL 67 HG21 VAL 67 9.803 3.759 7.976 406 HG22 VAL 67 HG22 VAL 67 11.561 3.675 7.857 407 HG23 VAL 67 HG23 VAL 67 10.674 2.422 8.724 408 H LYS 68 HN LYS 68 9.906 5.560 6.273 409 HA LYS 68 HA LYS 68 7.109 5.286 6.664 410 HB2 LYS 68 HB2 LYS 68 8.839 7.759 6.576 411 HB3 LYS 68 HB1 LYS 68 7.160 7.735 7.096 412 HG2 LYS 68 HG2 LYS 68 7.759 6.195 8.908 413 HG3 LYS 68 HG1 LYS 68 9.447 6.276 8.399 414 HD2 LYS 68 HD2 LYS 68 9.433 8.702 8.815 415 HD3 LYS 68 HD1 LYS 68 7.762 8.584 9.370 416 HE2 LYS 68 HE2 LYS 68 10.152 7.226 10.609 417 HE3 LYS 68 HE1 LYS 68 9.307 8.630 11.255 418 HZ1 LYS 68 HZ1 LYS 68 7.327 7.282 11.513 419 HZ2 LYS 68 HZ2 LYS 68 8.622 6.586 12.345 420 HZ3 LYS 68 HZ3 LYS 68 8.122 5.936 10.868 421 H LYS 69 HN LYS 69 9.048 6.772 4.112 422 HA LYS 69 HA LYS 69 6.690 7.765 2.780 423 HB2 LYS 69 HB2 LYS 69 8.398 8.409 0.974 424 HB3 LYS 69 HB1 LYS 69 8.444 9.253 2.514 425 HG2 LYS 69 HG2 LYS 69 10.290 7.854 3.236 426 HG3 LYS 69 HG1 LYS 69 10.238 6.980 1.706 427 HD2 LYS 69 HD2 LYS 69 12.008 8.709 1.763 428 HD3 LYS 69 HD1 LYS 69 10.818 8.991 0.494 429 HE2 LYS 69 HE2 LYS 69 9.716 10.668 1.853 430 HE3 LYS 69 HE1 LYS 69 10.812 10.337 3.193 431 HZ1 LYS 69 HZ1 LYS 69 12.639 11.151 1.898 432 HZ2 LYS 69 HZ2 LYS 69 11.424 12.322 1.909 433 HZ3 LYS 69 HZ3 LYS 69 11.657 11.363 0.540 434 H ALA 70 HN ALA 70 8.621 4.909 2.718 435 HA ALA 70 HA ALA 70 8.023 3.972 0.155 436 HB1 ALA 70 HB1 ALA 70 8.349 2.373 2.698 437 HB2 ALA 70 HB2 ALA 70 9.657 2.895 1.637 438 HB3 ALA 70 HB3 ALA 70 8.456 1.741 1.054 439 H LYS 71 HN LYS 71 6.368 3.399 3.230 440 HA LYS 71 HA LYS 71 4.096 2.110 2.399 441 HB2 LYS 71 HB2 LYS 71 4.653 4.083 4.595 442 HB3 LYS 71 HB1 LYS 71 3.036 3.443 4.362 443 HG2 LYS 71 HG2 LYS 71 4.563 2.346 6.084 444 HG3 LYS 71 HG1 LYS 71 3.654 1.298 4.998 445 HD2 LYS 71 HD2 LYS 71 5.667 1.022 3.625 446 HD3 LYS 71 HD1 LYS 71 6.556 2.086 4.715 447 HE2 LYS 71 HE2 LYS 71 5.303 -0.560 5.442 448 HE3 LYS 71 HE1 LYS 71 7.023 -0.260 5.198 449 HZ1 LYS 71 HZ1 LYS 71 5.311 0.894 7.333 450 HZ2 LYS 71 HZ2 LYS 71 6.920 1.326 7.066 451 HZ3 LYS 71 HZ3 LYS 71 6.539 -0.253 7.531 452 H ASP 72 HN ASP 72 4.617 5.596 2.738 453 HA ASP 72 HA ASP 72 2.181 6.540 1.888 454 HB2 ASP 72 HB2 ASP 72 3.865 7.999 2.840 455 HB3 ASP 72 HB1 ASP 72 4.914 7.750 1.449 456 H SER 73 HN SER 73 5.000 5.756 -0.198 457 HA SER 73 HA SER 73 3.790 6.727 -2.546 458 HB2 SER 73 HB2 SER 73 5.580 5.558 -3.737 459 HB3 SER 73 HB1 SER 73 6.220 6.405 -2.328 460 HG SER 73 HG SER 73 5.855 4.201 -1.283 461 H ALA 74 HN ALA 74 3.828 3.506 -1.068 462 HA ALA 74 HA ALA 74 2.495 2.238 -3.255 463 HB1 ALA 74 HB1 ALA 74 2.568 1.342 -0.376 464 HB2 ALA 74 HB2 ALA 74 3.866 1.055 -1.540 465 HB3 ALA 74 HB3 ALA 74 2.272 0.349 -1.805 466 H ALA 75 HN ALA 75 1.451 3.424 -0.104 467 HA ALA 75 HA ALA 75 -1.251 2.852 -0.206 468 HB1 ALA 75 HB1 ALA 75 -0.110 3.681 1.793 469 HB2 ALA 75 HB2 ALA 75 -1.566 4.611 1.440 470 HB3 ALA 75 HB3 ALA 75 0.020 5.277 1.055 471 H VAL 76 HN VAL 76 0.458 5.600 -1.660 472 HA VAL 76 HA VAL 76 -1.928 7.030 -2.280 473 HB VAL 76 HB VAL 76 0.444 7.961 -2.022 474 HG11 VAL 76 HG11 VAL 76 1.644 8.266 -4.145 475 HG12 VAL 76 HG12 VAL 76 0.510 7.145 -4.900 476 HG13 VAL 76 HG13 VAL 76 1.572 6.587 -3.611 477 HG21 VAL 76 HG21 VAL 76 -1.331 8.887 -4.273 478 HG22 VAL 76 HG22 VAL 76 -0.078 9.852 -3.493 479 HG23 VAL 76 HG23 VAL 76 -1.487 9.326 -2.572 480 H LEU 77 HN LEU 77 -0.042 4.604 -3.886 481 HA LEU 77 HA LEU 77 -1.394 4.840 -6.414 482 HB2 LEU 77 HB2 LEU 77 0.227 2.569 -5.247 483 HB3 LEU 77 HB1 LEU 77 -0.319 2.674 -6.905 484 HG LEU 77 HG LEU 77 1.612 4.591 -5.605 485 HD11 LEU 77 HD11 LEU 77 2.114 2.399 -7.613 486 HD12 LEU 77 HD12 LEU 77 2.554 2.345 -5.907 487 HD13 LEU 77 HD13 LEU 77 3.309 3.528 -6.975 488 HD21 LEU 77 HD21 LEU 77 0.696 4.322 -8.466 489 HD22 LEU 77 HD22 LEU 77 1.971 5.396 -7.895 490 HD23 LEU 77 HD23 LEU 77 0.309 5.644 -7.365 491 H LEU 78 HN LEU 78 -1.682 2.996 -3.486 492 HA LEU 78 HA LEU 78 -3.751 1.235 -4.208 493 HB2 LEU 78 HB2 LEU 78 -2.451 0.888 -2.242 494 HB3 LEU 78 HB1 LEU 78 -2.882 2.461 -1.612 495 HG LEU 78 HG LEU 78 -5.282 1.574 -1.549 496 HD11 LEU 78 HD11 LEU 78 -3.797 -1.046 -1.664 497 HD12 LEU 78 HD12 LEU 78 -4.825 -0.408 -2.947 498 HD13 LEU 78 HD13 LEU 78 -5.523 -0.821 -1.382 499 HD21 LEU 78 HD21 LEU 78 -4.891 0.636 0.657 500 HD22 LEU 78 HD22 LEU 78 -3.848 2.037 0.395 501 HD23 LEU 78 HD23 LEU 78 -3.185 0.409 0.275 502 H LEU 79 HN LEU 79 -3.749 4.506 -2.905 503 HA LEU 79 HA LEU 79 -6.502 4.817 -2.523 504 HB2 LEU 79 HB2 LEU 79 -4.169 6.582 -2.778 505 HB3 LEU 79 HB1 LEU 79 -5.695 7.324 -3.208 506 HG LEU 79 HG LEU 79 -6.602 6.871 -1.012 507 HD11 LEU 79 HD11 LEU 79 -5.579 4.736 -0.541 508 HD12 LEU 79 HD12 LEU 79 -5.194 5.871 0.753 509 HD13 LEU 79 HD13 LEU 79 -3.982 5.480 -0.469 510 HD21 LEU 79 HD21 LEU 79 -3.826 8.026 -0.805 511 HD22 LEU 79 HD22 LEU 79 -5.153 8.283 0.328 512 HD23 LEU 79 HD23 LEU 79 -5.268 8.902 -1.318 513 H GLU 80 HN GLU 80 -4.593 4.892 -5.430 514 HA GLU 80 HA GLU 80 -6.551 6.082 -7.122 515 HB2 GLU 80 HB2 GLU 80 -4.310 4.160 -7.778 516 HB3 GLU 80 HB1 GLU 80 -5.184 5.166 -8.934 517 HG2 GLU 80 HG2 GLU 80 -3.630 6.304 -6.634 518 HG3 GLU 80 HG1 GLU 80 -2.914 5.985 -8.207 519 H LEU 81 HN LEU 81 -5.777 2.826 -6.107 520 HA LEU 81 HA LEU 81 -7.562 1.421 -7.798 521 HB2 LEU 81 HB2 LEU 81 -5.567 0.575 -6.399 522 HB3 LEU 81 HB1 LEU 81 -6.690 0.562 -5.064 523 HG LEU 81 HG LEU 81 -7.171 -0.995 -7.588 524 HD11 LEU 81 HD11 LEU 81 -6.330 -2.946 -6.325 525 HD12 LEU 81 HD12 LEU 81 -5.797 -1.852 -5.046 526 HD13 LEU 81 HD13 LEU 81 -5.080 -1.747 -6.653 527 HD21 LEU 81 HD21 LEU 81 -8.673 -2.298 -6.166 528 HD22 LEU 81 HD22 LEU 81 -9.137 -0.597 -6.174 529 HD23 LEU 81 HD23 LEU 81 -8.275 -1.269 -4.791 530 H LEU 82 HN LEU 82 -7.729 2.573 -4.467 531 HA LEU 82 HA LEU 82 -10.391 1.775 -3.975 532 HB2 LEU 82 HB2 LEU 82 -8.338 3.449 -2.657 533 HB3 LEU 82 HB1 LEU 82 -9.999 3.712 -2.169 534 HG LEU 82 HG LEU 82 -10.200 1.610 -1.232 535 HD11 LEU 82 HD11 LEU 82 -7.828 0.729 -2.852 536 HD12 LEU 82 HD12 LEU 82 -9.508 0.218 -3.043 537 HD13 LEU 82 HD13 LEU 82 -8.603 -0.244 -1.603 538 HD21 LEU 82 HD21 LEU 82 -8.267 1.294 0.212 539 HD22 LEU 82 HD22 LEU 82 -8.655 3.005 0.039 540 HD23 LEU 82 HD23 LEU 82 -7.301 2.315 -0.853 541 H ASN 83 HN ASN 83 -9.109 4.333 -5.798 542 HA ASN 83 HA ASN 83 -11.424 6.059 -5.536 543 HB2 ASN 83 HB2 ASN 83 -9.178 7.015 -5.923 544 HB3 ASN 83 HB1 ASN 83 -9.076 6.151 -7.450 545 HD21 ASN 83 HD21 ASN 83 -10.020 6.994 -9.233 546 HD22 ASN 83 HD22 ASN 83 -10.838 8.516 -9.263 547 H LYS 84 HN LYS 84 -10.786 3.199 -6.954 548 HA LYS 84 HA LYS 84 -12.715 3.631 -9.132 549 HB2 LYS 84 HB2 LYS 84 -10.396 1.695 -8.994 550 HB3 LYS 84 HB1 LYS 84 -11.617 1.690 -10.260 551 HG2 LYS 84 HG2 LYS 84 -10.912 3.762 -11.101 552 HG3 LYS 84 HG1 LYS 84 -9.966 4.112 -9.658 553 HD2 LYS 84 HD2 LYS 84 -8.371 3.525 -11.270 554 HD3 LYS 84 HD1 LYS 84 -8.565 2.066 -10.302 555 HE2 LYS 84 HE2 LYS 84 -10.034 2.545 -12.889 556 HE3 LYS 84 HE1 LYS 84 -8.472 1.740 -12.806 557 HZ1 LYS 84 HZ1 LYS 84 -9.504 0.072 -11.340 558 HZ2 LYS 84 HZ2 LYS 84 -10.211 0.118 -12.872 559 HZ3 LYS 84 HZ3 LYS 84 -11.006 0.819 -11.561 560 H THR 85 HN THR 85 -13.656 3.192 -6.640 561 HA THR 85 HA THR 85 -14.323 0.328 -6.568 562 HB THR 85 HB THR 85 -14.987 0.840 -4.143 563 HG1 THR 85 HG1 THR 85 -13.113 2.887 -4.085 564 HG21 THR 85 HG21 THR 85 -13.017 -0.470 -4.710 565 HG22 THR 85 HG22 THR 85 -12.665 0.600 -3.354 566 HG23 THR 85 HG23 THR 85 -12.088 1.005 -4.970 Start of MODEL 19 1 H1 ASN 15 HT1 ASN 15 -5.950 5.710 4.057 2 H2 ASN 15 HT2 ASN 15 -4.661 5.223 5.034 3 H3 ASN 15 HT3 ASN 15 -5.518 6.628 5.411 4 HA ASN 15 HA ASN 15 -6.576 3.868 5.469 5 HB2 ASN 15 HB2 ASN 15 -5.026 4.422 7.329 6 HB3 ASN 15 HB1 ASN 15 -6.033 5.808 7.731 7 HD21 ASN 15 HD21 ASN 15 -6.585 5.124 9.751 8 HD22 ASN 15 HD22 ASN 15 -7.595 3.753 10.051 9 H ASP 16 HN ASP 16 -7.269 7.187 5.021 10 HA ASP 16 HA ASP 16 -9.603 7.472 6.580 11 HB2 ASP 16 HB2 ASP 16 -8.294 9.362 5.728 12 HB3 ASP 16 HB1 ASP 16 -8.699 8.920 4.078 13 H ILE 17 HN ILE 17 -9.100 6.682 3.165 14 HA ILE 17 HA ILE 17 -11.811 6.491 2.460 15 HB ILE 17 HB ILE 17 -9.362 5.253 1.214 16 HG12 ILE 17 HG12 ILE 17 -9.968 6.931 -0.594 17 HG13 ILE 17 HG11 ILE 17 -11.122 7.604 0.547 18 HG21 ILE 17 HG21 ILE 17 -12.187 5.212 0.154 19 HG22 ILE 17 HG22 ILE 17 -11.263 3.816 0.708 20 HG23 ILE 17 HG23 ILE 17 -10.749 4.698 -0.729 21 HD11 ILE 17 HD11 ILE 17 -8.156 7.430 0.966 22 HD12 ILE 17 HD12 ILE 17 -9.333 8.126 2.081 23 HD13 ILE 17 HD13 ILE 17 -9.059 8.874 0.507 24 H CYS 18 HN CYS 18 -9.485 4.001 3.446 25 HA CYS 18 HA CYS 18 -11.189 1.785 3.089 26 HB2 CYS 18 HB2 CYS 18 -8.749 1.586 3.288 27 HB3 CYS 18 HB1 CYS 18 -8.835 2.122 4.961 28 HG CYS 18 HG CYS 18 -10.618 -0.207 5.483 29 H LEU 19 HN LEU 19 -10.498 3.837 5.838 30 HA LEU 19 HA LEU 19 -11.969 2.490 7.803 31 HB2 LEU 19 HB2 LEU 19 -10.299 4.284 8.135 32 HB3 LEU 19 HB1 LEU 19 -11.453 5.439 7.521 33 HG LEU 19 HG LEU 19 -12.954 4.907 9.418 34 HD11 LEU 19 HD11 LEU 19 -10.617 3.254 10.362 35 HD12 LEU 19 HD12 LEU 19 -12.208 2.649 9.896 36 HD13 LEU 19 HD13 LEU 19 -12.033 3.666 11.326 37 HD21 LEU 19 HD21 LEU 19 -11.701 6.144 11.054 38 HD22 LEU 19 HD22 LEU 19 -11.337 6.782 9.451 39 HD23 LEU 19 HD23 LEU 19 -10.183 5.729 10.264 40 H ARG 20 HN ARG 20 -12.823 5.264 5.778 41 HA ARG 20 HA ARG 20 -15.461 5.594 6.673 42 HB2 ARG 20 HB2 ARG 20 -14.212 7.276 5.396 43 HB3 ARG 20 HB1 ARG 20 -14.279 6.253 3.976 44 HG2 ARG 20 HG2 ARG 20 -16.642 6.507 3.802 45 HG3 ARG 20 HG1 ARG 20 -16.722 7.331 5.362 46 HD2 ARG 20 HD2 ARG 20 -16.872 8.901 3.482 47 HD3 ARG 20 HD1 ARG 20 -15.446 9.192 4.475 48 HE ARG 20 HE ARG 20 -15.454 7.949 1.805 49 HH11 ARG 20 HH11 ARG 20 -13.739 9.435 4.459 50 HH12 ARG 20 HH12 ARG 20 -12.297 9.739 3.539 51 HH21 ARG 20 HH21 ARG 20 -13.570 8.347 0.576 52 HH22 ARG 20 HH22 ARG 20 -12.219 9.149 1.315 53 H LYS 21 HN LYS 21 -14.094 3.503 4.240 54 HA LYS 21 HA LYS 21 -16.555 2.713 3.034 55 HB2 LYS 21 HB2 LYS 21 -13.745 1.691 3.012 56 HB3 LYS 21 HB1 LYS 21 -15.032 0.716 2.316 57 HG2 LYS 21 HG2 LYS 21 -14.277 3.508 1.493 58 HG3 LYS 21 HG1 LYS 21 -13.918 2.018 0.612 59 HD2 LYS 21 HD2 LYS 21 -16.391 1.597 0.531 60 HD3 LYS 21 HD1 LYS 21 -16.611 3.226 1.174 61 HE2 LYS 21 HE2 LYS 21 -15.324 4.094 -0.765 62 HE3 LYS 21 HE1 LYS 21 -15.265 2.460 -1.409 63 HZ1 LYS 21 HZ1 LYS 21 -17.039 3.685 -2.434 64 HZ2 LYS 21 HZ2 LYS 21 -17.712 4.061 -0.931 65 HZ3 LYS 21 HZ3 LYS 21 -17.696 2.461 -1.470 66 H ASN 22 HN ASN 22 -15.476 2.235 6.018 67 HA ASN 22 HA ASN 22 -15.897 0.888 7.748 68 HB2 ASN 22 HB2 ASN 22 -18.187 0.002 6.001 69 HB3 ASN 22 HB1 ASN 22 -18.011 -0.319 7.711 70 HD21 ASN 22 HD21 ASN 22 -16.896 2.258 8.358 71 HD22 ASN 22 HD22 ASN 22 -18.194 3.396 8.257 72 H TRP 23 HN TRP 23 -14.163 -0.061 5.561 73 HA TRP 23 HA TRP 23 -14.399 -2.950 5.699 74 HB2 TRP 23 HB2 TRP 23 -12.204 -1.170 4.608 75 HB3 TRP 23 HB1 TRP 23 -12.241 -2.919 4.464 76 HD1 TRP 23 HD1 TRP 23 -15.403 -3.056 3.566 77 HE1 TRP 23 HE1 TRP 23 -15.954 -2.385 1.128 78 HE3 TRP 23 HE3 TRP 23 -11.234 -0.306 2.528 79 HZ2 TRP 23 HZ2 TRP 23 -14.747 -0.880 -0.954 80 HZ3 TRP 23 HZ3 TRP 23 -11.004 0.707 0.309 81 HH2 TRP 23 HH2 TRP 23 -12.715 0.424 -1.396 82 HA PRO 24 HA PRO 24 -11.586 -3.424 9.176 83 HB2 PRO 24 HB2 PRO 24 -10.059 -5.517 8.335 84 HB3 PRO 24 HB1 PRO 24 -11.679 -5.702 9.010 85 HG2 PRO 24 HG2 PRO 24 -10.797 -5.720 6.168 86 HG3 PRO 24 HG1 PRO 24 -12.024 -6.714 6.967 87 HD2 PRO 24 HD2 PRO 24 -12.639 -4.583 5.402 88 HD3 PRO 24 HD1 PRO 24 -13.647 -5.085 6.770 89 H MET 25 HN MET 25 -9.037 -3.680 9.473 90 HA MET 25 HA MET 25 -8.094 -1.320 8.133 91 HB2 MET 25 HB2 MET 25 -6.765 -3.035 10.227 92 HB3 MET 25 HB1 MET 25 -6.225 -1.446 9.708 93 HG2 MET 25 HG2 MET 25 -8.978 -1.796 10.792 94 HG3 MET 25 HG1 MET 25 -7.609 -1.729 11.889 95 HE1 MET 25 HE1 MET 25 -9.937 0.052 9.475 96 HE2 MET 25 HE2 MET 25 -8.517 0.474 8.515 97 HE3 MET 25 HE3 MET 25 -9.370 1.721 9.418 98 HA PRO 26 HA PRO 26 -5.954 -3.248 4.822 99 HB2 PRO 26 HB2 PRO 26 -4.037 -1.275 4.512 100 HB3 PRO 26 HB1 PRO 26 -5.642 -1.260 3.789 101 HG2 PRO 26 HG2 PRO 26 -4.651 0.128 6.231 102 HG3 PRO 26 HG1 PRO 26 -5.819 0.683 5.020 103 HD2 PRO 26 HD2 PRO 26 -6.577 -0.201 7.440 104 HD3 PRO 26 HD1 PRO 26 -7.559 -0.487 5.988 105 H SER 27 HN SER 27 -4.039 -4.205 4.260 106 HA SER 27 HA SER 27 -2.261 -4.875 6.470 107 HB2 SER 27 HB2 SER 27 -3.238 -6.603 4.897 108 HB3 SER 27 HB1 SER 27 -2.218 -5.921 3.634 109 HG SER 27 HG SER 27 -0.790 -7.268 4.381 110 H TYR 28 HN TYR 28 -0.010 -4.522 6.452 111 HA TYR 28 HA TYR 28 1.098 -3.006 4.245 112 HB2 TYR 28 HB2 TYR 28 0.939 -2.011 7.088 113 HB3 TYR 28 HB1 TYR 28 2.216 -1.476 6.006 114 HD1 TYR 28 HD2 TYR 28 -1.396 -1.338 6.699 115 HD2 TYR 28 HD1 TYR 28 1.749 0.043 4.187 116 HE1 TYR 28 HE2 TYR 28 -2.867 0.424 5.817 117 HE2 TYR 28 HE1 TYR 28 0.287 1.801 3.308 118 HH TYR 28 HH TYR 28 -2.104 2.232 3.046 119 H ARG 29 HN ARG 29 2.836 -4.269 3.698 120 HA ARG 29 HA ARG 29 4.622 -5.206 5.788 121 HB2 ARG 29 HB2 ARG 29 3.342 -7.073 3.796 122 HB3 ARG 29 HB1 ARG 29 4.657 -7.500 4.872 123 HG2 ARG 29 HG2 ARG 29 3.129 -6.971 6.790 124 HG3 ARG 29 HG1 ARG 29 1.822 -6.828 5.611 125 HD2 ARG 29 HD2 ARG 29 1.808 -9.052 6.549 126 HD3 ARG 29 HD1 ARG 29 2.307 -9.136 4.860 127 HE ARG 29 HE ARG 29 4.358 -9.059 6.952 128 HH11 ARG 29 HH11 ARG 29 2.690 -10.854 4.449 129 HH12 ARG 29 HH12 ARG 29 3.897 -12.095 4.369 130 HH21 ARG 29 HH21 ARG 29 5.941 -10.687 6.840 131 HH22 ARG 29 HH22 ARG 29 5.741 -12.003 5.727 132 H CYS 30 HN CYS 30 6.666 -4.892 5.153 133 HA CYS 30 HA CYS 30 7.286 -3.853 2.599 134 HB2 CYS 30 HB2 CYS 30 9.097 -4.939 4.760 135 HB3 CYS 30 HB1 CYS 30 9.656 -4.066 3.338 136 HG CYS 30 HG CYS 30 7.658 -2.773 5.804 137 H VAL 31 HN VAL 31 7.702 -4.854 0.741 138 HA VAL 31 HA VAL 31 7.936 -7.741 0.735 139 HB VAL 31 HB VAL 31 7.803 -7.626 -1.681 140 HG11 VAL 31 HG11 VAL 31 5.552 -6.686 -1.888 141 HG12 VAL 31 HG12 VAL 31 5.764 -5.864 -0.342 142 HG13 VAL 31 HG13 VAL 31 5.734 -7.626 -0.407 143 HG21 VAL 31 HG21 VAL 31 9.046 -5.587 -2.106 144 HG22 VAL 31 HG22 VAL 31 7.755 -4.633 -1.376 145 HG23 VAL 31 HG23 VAL 31 7.459 -5.520 -2.870 146 H LYS 32 HN LYS 32 9.920 -4.933 -0.086 147 HA LYS 32 HA LYS 32 12.275 -6.661 0.102 148 HB2 LYS 32 HB2 LYS 32 11.696 -6.301 -2.315 149 HB3 LYS 32 HB1 LYS 32 11.911 -4.581 -2.051 150 HG2 LYS 32 HG2 LYS 32 14.242 -4.967 -1.413 151 HG3 LYS 32 HG1 LYS 32 14.030 -6.688 -1.733 152 HD2 LYS 32 HD2 LYS 32 13.530 -6.203 -4.069 153 HD3 LYS 32 HD1 LYS 32 13.701 -4.473 -3.755 154 HE2 LYS 32 HE2 LYS 32 16.033 -4.805 -3.140 155 HE3 LYS 32 HE1 LYS 32 15.869 -6.540 -3.402 156 HZ1 LYS 32 HZ1 LYS 32 15.396 -6.100 -5.731 157 HZ2 LYS 32 HZ2 LYS 32 16.899 -5.464 -5.292 158 HZ3 LYS 32 HZ3 LYS 32 15.572 -4.437 -5.473 159 H GLU 33 HN GLU 33 13.741 -5.808 1.422 160 HA GLU 33 HA GLU 33 14.154 -2.920 1.479 161 HB2 GLU 33 HB2 GLU 33 14.083 -2.766 3.886 162 HB3 GLU 33 HB1 GLU 33 12.557 -3.421 3.317 163 HG2 GLU 33 HG2 GLU 33 14.805 -5.097 4.413 164 HG3 GLU 33 HG1 GLU 33 13.458 -4.497 5.373 165 H GLY 34 HN GLY 34 16.248 -2.288 2.170 166 HA2 GLY 34 HA2 GLY 34 18.466 -2.520 2.680 167 HA3 GLY 34 HA1 GLY 34 18.075 -4.082 3.379 168 H GLY 35 HN GLY 35 20.245 -4.528 2.480 169 HA2 GLY 35 HA2 GLY 35 20.330 -6.302 0.454 170 HA3 GLY 35 HA1 GLY 35 20.483 -4.764 -0.385 171 HA PRO 36 HA PRO 36 24.843 -6.053 0.445 172 HB2 PRO 36 HB2 PRO 36 25.054 -3.863 -1.583 173 HB3 PRO 36 HB1 PRO 36 25.916 -5.401 -1.501 174 HG2 PRO 36 HG2 PRO 36 23.936 -5.088 -3.228 175 HG3 PRO 36 HG1 PRO 36 24.110 -6.610 -2.333 176 HD2 PRO 36 HD2 PRO 36 22.187 -4.367 -1.903 177 HD3 PRO 36 HD1 PRO 36 21.931 -6.116 -1.737 178 H ALA 37 HN ALA 37 23.938 -2.706 -0.302 179 HA ALA 37 HA ALA 37 24.198 -1.673 2.287 180 HB1 ALA 37 HB1 ALA 37 26.609 -2.152 1.948 181 HB2 ALA 37 HB2 ALA 37 26.274 -0.433 2.154 182 HB3 ALA 37 HB3 ALA 37 26.595 -1.079 0.548 183 H HIS 38 HN HIS 38 24.933 -0.906 -1.081 184 HA HIS 38 HA HIS 38 23.802 1.725 -0.933 185 HB2 HIS 38 HB2 HIS 38 24.229 1.780 -3.390 186 HB3 HIS 38 HB1 HIS 38 25.648 1.354 -2.443 187 HD1 HIS 38 HD1 HIS 38 26.793 -0.819 -3.001 188 HD2 HIS 38 HD2 HIS 38 23.048 -0.476 -4.780 189 HE1 HIS 38 HE1 HIS 38 26.593 -2.786 -4.546 190 HE2 HIS 38 HE2 HIS 38 24.378 -2.494 -5.703 191 H ALA 39 HN ALA 39 22.071 -0.706 -0.414 192 HA ALA 39 HA ALA 39 19.968 -0.087 -2.377 193 HB1 ALA 39 HB1 ALA 39 20.926 -2.279 -2.870 194 HB2 ALA 39 HB2 ALA 39 19.255 -2.416 -2.322 195 HB3 ALA 39 HB3 ALA 39 20.578 -2.804 -1.223 196 H LYS 40 HN LYS 40 20.147 1.276 -0.005 197 HA LYS 40 HA LYS 40 18.430 0.029 1.952 198 HB2 LYS 40 HB2 LYS 40 20.347 1.710 2.398 199 HB3 LYS 40 HB1 LYS 40 19.159 2.935 1.969 200 HG2 LYS 40 HG2 LYS 40 19.205 2.714 4.342 201 HG3 LYS 40 HG1 LYS 40 17.681 2.061 3.744 202 HD2 LYS 40 HD2 LYS 40 18.524 -0.197 3.964 203 HD3 LYS 40 HD1 LYS 40 20.108 0.413 4.446 204 HE2 LYS 40 HE2 LYS 40 19.066 1.460 6.423 205 HE3 LYS 40 HE1 LYS 40 17.519 0.762 5.949 206 HZ1 LYS 40 HZ1 LYS 40 18.576 -0.588 7.621 207 HZ2 LYS 40 HZ2 LYS 40 19.966 -0.750 6.673 208 HZ3 LYS 40 HZ3 LYS 40 18.512 -1.443 6.164 209 H ARG 41 HN ARG 41 17.563 0.758 -0.871 210 HA ARG 41 HA ARG 41 15.384 2.599 -0.314 211 HB2 ARG 41 HB2 ARG 41 15.886 1.024 -2.843 212 HB3 ARG 41 HB1 ARG 41 14.770 2.366 -2.646 213 HG2 ARG 41 HG2 ARG 41 16.827 3.751 -2.025 214 HG3 ARG 41 HG1 ARG 41 17.766 2.418 -2.700 215 HD2 ARG 41 HD2 ARG 41 15.699 4.089 -4.119 216 HD3 ARG 41 HD1 ARG 41 17.440 4.102 -4.392 217 HE ARG 41 HE ARG 41 16.646 1.509 -4.842 218 HH11 ARG 41 HH11 ARG 41 15.864 4.655 -6.161 219 HH12 ARG 41 HH12 ARG 41 15.448 4.037 -7.729 220 HH21 ARG 41 HH21 ARG 41 16.099 0.688 -6.902 221 HH22 ARG 41 HH22 ARG 41 15.571 1.776 -8.147 222 H PHE 42 HN PHE 42 13.247 2.027 -0.219 223 HA PHE 42 HA PHE 42 12.858 -0.798 0.477 224 HB2 PHE 42 HB2 PHE 42 11.370 1.614 1.518 225 HB3 PHE 42 HB1 PHE 42 11.106 -0.052 2.020 226 HD1 PHE 42 HD2 PHE 42 13.479 2.761 2.101 227 HD2 PHE 42 HD1 PHE 42 12.514 -1.100 3.557 228 HE1 PHE 42 HE2 PHE 42 15.174 3.014 3.866 229 HE2 PHE 42 HE1 PHE 42 14.203 -0.865 5.342 230 HZ PHE 42 HZ PHE 42 15.622 1.224 5.405 231 H THR 43 HN THR 43 11.272 -1.938 -0.400 232 HA THR 43 HA THR 43 9.314 -0.562 -2.123 233 HB THR 43 HB THR 43 10.469 -3.320 -2.642 234 HG1 THR 43 HG1 THR 43 11.748 -1.079 -2.924 235 HG21 THR 43 HG21 THR 43 9.494 -3.014 -4.869 236 HG22 THR 43 HG22 THR 43 8.880 -1.432 -4.390 237 HG23 THR 43 HG23 THR 43 8.259 -2.889 -3.615 238 H PHE 44 HN PHE 44 7.178 -1.067 -1.567 239 HA PHE 44 HA PHE 44 6.713 -3.476 -0.016 240 HB2 PHE 44 HB2 PHE 44 6.755 -2.260 1.898 241 HB3 PHE 44 HB1 PHE 44 6.770 -0.737 1.021 242 HD1 PHE 44 HD2 PHE 44 4.571 -3.438 2.220 243 HD2 PHE 44 HD1 PHE 44 4.879 0.604 0.955 244 HE1 PHE 44 HE2 PHE 44 2.271 -3.022 2.972 245 HE2 PHE 44 HE1 PHE 44 2.584 1.027 1.714 246 HZ PHE 44 HZ PHE 44 1.231 -0.795 2.558 247 H GLY 45 HN GLY 45 4.426 -4.068 -0.003 248 HA2 GLY 45 HA2 GLY 45 2.820 -2.603 -2.007 249 HA3 GLY 45 HA1 GLY 45 2.890 -4.359 -1.983 250 H VAL 46 HN VAL 46 0.658 -2.322 -1.567 251 HA VAL 46 HA VAL 46 -0.169 -3.040 1.182 252 HB VAL 46 HB VAL 46 -1.777 -1.105 -0.376 253 HG11 VAL 46 HG11 VAL 46 -1.771 0.067 1.834 254 HG12 VAL 46 HG12 VAL 46 -0.825 -1.280 2.466 255 HG13 VAL 46 HG13 VAL 46 -2.451 -1.561 1.843 256 HG21 VAL 46 HG21 VAL 46 0.961 -0.373 0.622 257 HG22 VAL 46 HG22 VAL 46 -0.284 0.784 0.155 258 HG23 VAL 46 HG23 VAL 46 0.384 -0.325 -1.043 259 H ARG 47 HN ARG 47 -2.437 -3.696 1.486 260 HA ARG 47 HA ARG 47 -4.028 -4.081 -0.888 261 HB2 ARG 47 HB2 ARG 47 -4.628 -6.418 -0.164 262 HB3 ARG 47 HB1 ARG 47 -2.993 -6.249 -0.788 263 HG2 ARG 47 HG2 ARG 47 -2.193 -6.148 1.556 264 HG3 ARG 47 HG1 ARG 47 -3.835 -6.481 2.087 265 HD2 ARG 47 HD2 ARG 47 -2.660 -8.553 2.080 266 HD3 ARG 47 HD1 ARG 47 -3.766 -8.568 0.708 267 HE ARG 47 HE ARG 47 -1.004 -7.750 0.225 268 HH11 ARG 47 HH11 ARG 47 -3.496 -10.185 -0.092 269 HH12 ARG 47 HH12 ARG 47 -2.616 -11.122 -1.252 270 HH21 ARG 47 HH21 ARG 47 0.185 -8.995 -1.268 271 HH22 ARG 47 HH22 ARG 47 -0.515 -10.451 -1.915 272 H VAL 48 HN VAL 48 -6.230 -4.084 -0.422 273 HA VAL 48 HA VAL 48 -6.951 -3.545 2.400 274 HB VAL 48 HB VAL 48 -8.091 -2.209 -0.060 275 HG11 VAL 48 HG11 VAL 48 -9.323 -0.795 1.547 276 HG12 VAL 48 HG12 VAL 48 -8.764 -1.842 2.851 277 HG13 VAL 48 HG13 VAL 48 -9.818 -2.487 1.591 278 HG21 VAL 48 HG21 VAL 48 -5.815 -1.455 0.647 279 HG22 VAL 48 HG22 VAL 48 -6.529 -0.959 2.180 280 HG23 VAL 48 HG23 VAL 48 -7.052 -0.199 0.681 281 H ASN 49 HN ASN 49 -9.181 -4.114 2.965 282 HA ASN 49 HA ASN 49 -10.041 -6.489 1.503 283 HB2 ASN 49 HB2 ASN 49 -11.014 -5.369 4.144 284 HB3 ASN 49 HB1 ASN 49 -11.505 -6.905 3.442 285 HD21 ASN 49 HD21 ASN 49 -10.063 -8.630 3.446 286 HD22 ASN 49 HD22 ASN 49 -8.664 -8.646 4.461 287 H THR 50 HN THR 50 -10.830 -5.327 -0.262 288 HA THR 50 HA THR 50 -13.027 -3.471 0.045 289 HB THR 50 HB THR 50 -13.380 -3.687 -2.410 290 HG1 THR 50 HG1 THR 50 -11.323 -5.628 -2.102 291 HG21 THR 50 HG21 THR 50 -11.898 -1.980 -1.551 292 HG22 THR 50 HG22 THR 50 -11.240 -2.633 -3.052 293 HG23 THR 50 HG23 THR 50 -10.558 -3.124 -1.501 294 H SER 51 HN SER 51 -14.863 -4.114 0.840 295 HA SER 51 HA SER 51 -15.701 -6.664 1.285 296 HB2 SER 51 HB2 SER 51 -16.661 -4.664 2.340 297 HB3 SER 51 HB1 SER 51 -17.477 -4.261 0.832 298 HG SER 51 HG SER 51 -17.880 -6.789 1.994 299 H ASP 52 HN ASP 52 -16.166 -4.841 -1.701 300 HA ASP 52 HA ASP 52 -18.105 -6.668 -2.733 301 HB2 ASP 52 HB2 ASP 52 -17.864 -5.357 -4.826 302 HB3 ASP 52 HB1 ASP 52 -18.235 -4.385 -3.413 303 H ARG 53 HN ARG 53 -14.659 -6.812 -2.603 304 HA ARG 53 HA ARG 53 -14.748 -9.008 -4.557 305 HB2 ARG 53 HB2 ARG 53 -13.886 -6.703 -5.461 306 HB3 ARG 53 HB1 ARG 53 -12.426 -7.111 -4.579 307 HG2 ARG 53 HG2 ARG 53 -13.644 -8.921 -6.645 308 HG3 ARG 53 HG1 ARG 53 -12.452 -7.683 -7.032 309 HD2 ARG 53 HD2 ARG 53 -10.883 -8.760 -5.451 310 HD3 ARG 53 HD1 ARG 53 -12.074 -10.031 -5.175 311 HE ARG 53 HE ARG 53 -11.710 -9.936 -7.900 312 HH11 ARG 53 HH11 ARG 53 -9.698 -10.559 -5.108 313 HH12 ARG 53 HH12 ARG 53 -8.581 -11.560 -5.976 314 HH21 ARG 53 HH21 ARG 53 -10.245 -11.255 -9.045 315 HH22 ARG 53 HH22 ARG 53 -8.900 -11.971 -8.213 316 H GLY 54 HN GLY 54 -12.971 -7.350 -2.008 317 HA2 GLY 54 HA2 GLY 54 -12.242 -8.786 -0.135 318 HA3 GLY 54 HA1 GLY 54 -11.617 -9.876 -1.354 319 H TRP 55 HN TRP 55 -9.567 -9.727 -0.308 320 HA TRP 55 HA TRP 55 -8.004 -7.475 -0.024 321 HB2 TRP 55 HB2 TRP 55 -7.377 -10.322 -0.690 322 HB3 TRP 55 HB1 TRP 55 -6.094 -9.127 -0.799 323 HD1 TRP 55 HD1 TRP 55 -7.106 -11.594 1.507 324 HE1 TRP 55 HE1 TRP 55 -6.552 -10.989 3.945 325 HE3 TRP 55 HE3 TRP 55 -6.340 -6.577 0.951 326 HZ2 TRP 55 HZ2 TRP 55 -5.876 -8.683 5.420 327 HZ3 TRP 55 HZ3 TRP 55 -5.752 -5.247 2.922 328 HH2 TRP 55 HH2 TRP 55 -5.527 -6.274 5.116 329 H THR 56 HN THR 56 -7.434 -5.949 -1.366 330 HA THR 56 HA THR 56 -7.849 -6.044 -4.167 331 HB THR 56 HB THR 56 -6.643 -3.867 -4.184 332 HG1 THR 56 HG1 THR 56 -5.187 -3.869 -2.595 333 HG21 THR 56 HG21 THR 56 -8.261 -2.646 -2.815 334 HG22 THR 56 HG22 THR 56 -8.711 -4.146 -2.004 335 HG23 THR 56 HG23 THR 56 -9.044 -3.939 -3.725 336 H ASP 57 HN ASP 57 -6.239 -5.836 -5.850 337 HA ASP 57 HA ASP 57 -4.053 -7.576 -5.662 338 HB2 ASP 57 HB2 ASP 57 -3.269 -6.624 -7.780 339 HB3 ASP 57 HB1 ASP 57 -4.997 -6.925 -7.832 340 H GLU 58 HN GLU 58 -1.990 -7.328 -5.070 341 HA GLU 58 HA GLU 58 -1.538 -5.396 -3.105 342 HB2 GLU 58 HB2 GLU 58 -0.540 -7.581 -2.992 343 HB3 GLU 58 HB1 GLU 58 0.419 -7.263 -4.427 344 HG2 GLU 58 HG2 GLU 58 1.766 -5.708 -3.296 345 HG3 GLU 58 HG1 GLU 58 0.644 -5.604 -1.940 346 H CYS 59 HN CYS 59 -1.134 -3.423 -3.323 347 HA CYS 59 HA CYS 59 -0.146 -2.330 -5.824 348 HB2 CYS 59 HB2 CYS 59 -0.971 -0.870 -3.306 349 HB3 CYS 59 HB1 CYS 59 -0.770 -0.173 -4.913 350 HG CYS 59 HG CYS 59 -2.976 -2.689 -4.814 351 H ILE 60 HN ILE 60 1.994 -2.675 -5.985 352 HA ILE 60 HA ILE 60 3.772 -2.310 -3.759 353 HB ILE 60 HB ILE 60 4.357 -2.779 -6.686 354 HG12 ILE 60 HG12 ILE 60 3.054 -4.578 -5.474 355 HG13 ILE 60 HG11 ILE 60 4.584 -5.087 -6.180 356 HG21 ILE 60 HG21 ILE 60 6.228 -1.767 -5.547 357 HG22 ILE 60 HG22 ILE 60 6.577 -3.456 -5.914 358 HG23 ILE 60 HG23 ILE 60 6.131 -2.982 -4.274 359 HD11 ILE 60 HD11 ILE 60 4.220 -4.339 -3.303 360 HD12 ILE 60 HD12 ILE 60 5.647 -5.048 -4.052 361 HD13 ILE 60 HD13 ILE 60 4.160 -5.988 -3.921 362 H GLY 61 HN GLY 61 4.764 -0.482 -3.223 363 HA2 GLY 61 HA2 GLY 61 4.490 1.877 -4.892 364 HA3 GLY 61 HA1 GLY 61 5.216 1.804 -3.290 365 H GLU 62 HN GLU 62 6.614 3.288 -4.930 366 HA GLU 62 HA GLU 62 8.506 1.684 -6.428 367 HB2 GLU 62 HB2 GLU 62 9.467 3.818 -7.107 368 HB3 GLU 62 HB1 GLU 62 7.731 3.789 -7.389 369 HG2 GLU 62 HG2 GLU 62 7.426 4.988 -5.252 370 HG3 GLU 62 HG1 GLU 62 9.177 5.105 -5.139 371 HA PRO 63 HA PRO 63 11.627 1.250 -3.317 372 HB2 PRO 63 HB2 PRO 63 13.475 2.306 -5.404 373 HB3 PRO 63 HB1 PRO 63 13.610 0.847 -4.416 374 HG2 PRO 63 HG2 PRO 63 12.898 0.697 -6.979 375 HG3 PRO 63 HG1 PRO 63 12.158 -0.356 -5.760 376 HD2 PRO 63 HD2 PRO 63 11.033 2.042 -7.125 377 HD3 PRO 63 HD1 PRO 63 10.220 0.565 -6.577 378 H MET 64 HN MET 64 11.510 2.730 -1.749 379 HA MET 64 HA MET 64 12.246 5.516 -2.367 380 HB2 MET 64 HB2 MET 64 10.344 4.440 -0.281 381 HB3 MET 64 HB1 MET 64 10.827 6.125 -0.417 382 HG2 MET 64 HG2 MET 64 9.400 4.560 -2.551 383 HG3 MET 64 HG1 MET 64 8.642 5.667 -1.416 384 HE1 MET 64 HE1 MET 64 8.759 8.220 -1.510 385 HE2 MET 64 HE2 MET 64 9.916 9.131 -2.482 386 HE3 MET 64 HE3 MET 64 10.485 8.105 -1.166 387 HA PRO 65 HA PRO 65 15.660 4.763 0.279 388 HB2 PRO 65 HB2 PRO 65 16.437 7.288 0.821 389 HB3 PRO 65 HB1 PRO 65 16.616 6.560 -0.781 390 HG2 PRO 65 HG2 PRO 65 14.495 8.420 0.226 391 HG3 PRO 65 HG1 PRO 65 15.368 8.454 -1.316 392 HD2 PRO 65 HD2 PRO 65 12.863 7.437 -1.063 393 HD3 PRO 65 HD1 PRO 65 14.035 6.827 -2.250 394 H SER 66 HN SER 66 12.792 5.445 1.592 395 HA SER 66 HA SER 66 13.792 5.277 4.284 396 HB2 SER 66 HB2 SER 66 12.106 7.669 3.485 397 HB3 SER 66 HB1 SER 66 12.646 7.278 5.113 398 HG SER 66 HG SER 66 14.809 7.307 3.665 399 H VAL 67 HN VAL 67 12.241 4.516 5.722 400 HA VAL 67 HA VAL 67 10.471 2.688 4.502 401 HB VAL 67 HB VAL 67 10.669 3.435 7.423 402 HG11 VAL 67 HG11 VAL 67 9.519 0.974 6.113 403 HG12 VAL 67 HG12 VAL 67 8.600 2.248 6.915 404 HG13 VAL 67 HG13 VAL 67 9.699 1.231 7.848 405 HG21 VAL 67 HG21 VAL 67 12.137 1.486 7.608 406 HG22 VAL 67 HG22 VAL 67 12.807 2.700 6.518 407 HG23 VAL 67 HG23 VAL 67 12.043 1.252 5.863 408 H LYS 68 HN LYS 68 9.852 5.725 6.258 409 HA LYS 68 HA LYS 68 7.065 5.357 6.489 410 HB2 LYS 68 HB2 LYS 68 8.712 7.888 6.450 411 HB3 LYS 68 HB1 LYS 68 6.998 7.835 6.835 412 HG2 LYS 68 HG2 LYS 68 7.474 6.387 8.744 413 HG3 LYS 68 HG1 LYS 68 9.194 6.454 8.360 414 HD2 LYS 68 HD2 LYS 68 9.182 8.869 8.702 415 HD3 LYS 68 HD1 LYS 68 7.454 8.817 9.051 416 HE2 LYS 68 HE2 LYS 68 7.929 7.331 10.969 417 HE3 LYS 68 HE1 LYS 68 9.652 7.510 10.645 418 HZ1 LYS 68 HZ1 LYS 68 7.765 9.673 11.389 419 HZ2 LYS 68 HZ2 LYS 68 9.388 9.913 10.983 420 HZ3 LYS 68 HZ3 LYS 68 8.985 9.024 12.363 421 H LYS 69 HN LYS 69 9.050 6.884 3.999 422 HA LYS 69 HA LYS 69 6.717 7.766 2.557 423 HB2 LYS 69 HB2 LYS 69 8.405 8.514 0.838 424 HB3 LYS 69 HB1 LYS 69 8.526 9.266 2.421 425 HG2 LYS 69 HG2 LYS 69 10.329 7.672 2.974 426 HG3 LYS 69 HG1 LYS 69 10.263 7.084 1.315 427 HD2 LYS 69 HD2 LYS 69 12.049 8.713 1.531 428 HD3 LYS 69 HD1 LYS 69 10.765 9.368 0.514 429 HE2 LYS 69 HE2 LYS 69 9.899 10.630 2.427 430 HE3 LYS 69 HE1 LYS 69 11.179 9.972 3.442 431 HZ1 LYS 69 HZ1 LYS 69 11.697 12.201 2.655 432 HZ2 LYS 69 HZ2 LYS 69 11.589 11.684 1.049 433 HZ3 LYS 69 HZ3 LYS 69 12.805 11.077 2.054 434 H ALA 70 HN ALA 70 8.800 5.012 2.616 435 HA ALA 70 HA ALA 70 8.196 3.893 0.131 436 HB1 ALA 70 HB1 ALA 70 8.602 2.456 2.753 437 HB2 ALA 70 HB2 ALA 70 9.886 2.977 1.659 438 HB3 ALA 70 HB3 ALA 70 8.729 1.746 1.143 439 H LYS 71 HN LYS 71 6.590 3.305 3.271 440 HA LYS 71 HA LYS 71 4.388 1.876 2.422 441 HB2 LYS 71 HB2 LYS 71 4.486 3.957 4.620 442 HB3 LYS 71 HB1 LYS 71 3.300 2.669 4.468 443 HG2 LYS 71 HG2 LYS 71 4.878 1.007 4.984 444 HG3 LYS 71 HG1 LYS 71 6.234 2.111 4.750 445 HD2 LYS 71 HD2 LYS 71 5.884 1.758 7.114 446 HD3 LYS 71 HD1 LYS 71 5.459 3.418 6.702 447 HE2 LYS 71 HE2 LYS 71 3.091 2.792 6.652 448 HE3 LYS 71 HE1 LYS 71 3.520 1.135 7.074 449 HZ1 LYS 71 HZ1 LYS 71 4.470 1.991 9.157 450 HZ2 LYS 71 HZ2 LYS 71 2.820 2.330 9.026 451 HZ3 LYS 71 HZ3 LYS 71 3.954 3.550 8.751 452 H ASP 72 HN ASP 72 4.691 5.368 2.904 453 HA ASP 72 HA ASP 72 2.178 6.153 2.095 454 HB2 ASP 72 HB2 ASP 72 3.760 7.652 3.189 455 HB3 ASP 72 HB1 ASP 72 4.787 7.635 1.760 456 H SER 73 HN SER 73 5.057 5.630 0.033 457 HA SER 73 HA SER 73 3.929 6.655 -2.315 458 HB2 SER 73 HB2 SER 73 6.362 6.169 -1.934 459 HB3 SER 73 HB1 SER 73 5.993 4.452 -2.103 460 HG SER 73 HG SER 73 5.855 6.505 -4.033 461 H ALA 74 HN ALA 74 3.924 3.373 -0.960 462 HA ALA 74 HA ALA 74 2.572 2.220 -3.197 463 HB1 ALA 74 HB1 ALA 74 2.699 1.208 -0.359 464 HB2 ALA 74 HB2 ALA 74 3.933 0.920 -1.589 465 HB3 ALA 74 HB3 ALA 74 2.306 0.272 -1.802 466 H ALA 75 HN ALA 75 1.565 3.394 -0.029 467 HA ALA 75 HA ALA 75 -1.133 2.778 -0.121 468 HB1 ALA 75 HB1 ALA 75 0.047 3.536 1.886 469 HB2 ALA 75 HB2 ALA 75 -1.429 4.457 1.597 470 HB3 ALA 75 HB3 ALA 75 0.141 5.162 1.210 471 H VAL 76 HN VAL 76 0.541 5.615 -1.496 472 HA VAL 76 HA VAL 76 -1.844 7.039 -2.067 473 HB VAL 76 HB VAL 76 0.547 7.958 -1.934 474 HG11 VAL 76 HG11 VAL 76 1.580 6.532 -3.560 475 HG12 VAL 76 HG12 VAL 76 1.664 8.208 -4.104 476 HG13 VAL 76 HG13 VAL 76 0.477 7.106 -4.806 477 HG21 VAL 76 HG21 VAL 76 -0.020 9.825 -3.417 478 HG22 VAL 76 HG22 VAL 76 -1.394 9.330 -2.427 479 HG23 VAL 76 HG23 VAL 76 -1.315 8.858 -4.125 480 H LEU 77 HN LEU 77 -0.006 4.630 -3.761 481 HA LEU 77 HA LEU 77 -1.418 4.898 -6.254 482 HB2 LEU 77 HB2 LEU 77 0.265 2.637 -5.159 483 HB3 LEU 77 HB1 LEU 77 -0.330 2.746 -6.799 484 HG LEU 77 HG LEU 77 1.605 4.682 -5.533 485 HD11 LEU 77 HD11 LEU 77 3.252 3.663 -7.027 486 HD12 LEU 77 HD12 LEU 77 2.050 2.481 -7.539 487 HD13 LEU 77 HD13 LEU 77 2.613 2.499 -5.868 488 HD21 LEU 77 HD21 LEU 77 1.889 5.505 -7.835 489 HD22 LEU 77 HD22 LEU 77 0.252 5.756 -7.231 490 HD23 LEU 77 HD23 LEU 77 0.584 4.442 -8.361 491 H LEU 78 HN LEU 78 -1.639 3.075 -3.327 492 HA LEU 78 HA LEU 78 -3.675 1.272 -4.044 493 HB2 LEU 78 HB2 LEU 78 -2.395 0.871 -2.097 494 HB3 LEU 78 HB1 LEU 78 -2.758 2.455 -1.450 495 HG LEU 78 HG LEU 78 -5.195 1.652 -1.376 496 HD11 LEU 78 HD11 LEU 78 -3.788 -1.012 -1.493 497 HD12 LEU 78 HD12 LEU 78 -4.835 -0.352 -2.750 498 HD13 LEU 78 HD13 LEU 78 -5.499 -0.740 -1.163 499 HD21 LEU 78 HD21 LEU 78 -3.135 0.427 0.452 500 HD22 LEU 78 HD22 LEU 78 -4.832 0.719 0.835 501 HD23 LEU 78 HD23 LEU 78 -3.739 2.079 0.562 502 H LEU 79 HN LEU 79 -3.740 4.514 -2.595 503 HA LEU 79 HA LEU 79 -6.487 4.715 -2.150 504 HB2 LEU 79 HB2 LEU 79 -4.218 6.574 -2.421 505 HB3 LEU 79 HB1 LEU 79 -5.794 7.270 -2.724 506 HG LEU 79 HG LEU 79 -6.547 6.710 -0.507 507 HD11 LEU 79 HD11 LEU 79 -5.451 4.558 -0.239 508 HD12 LEU 79 HD12 LEU 79 -5.076 5.616 1.121 509 HD13 LEU 79 HD13 LEU 79 -3.878 5.352 -0.148 510 HD21 LEU 79 HD21 LEU 79 -4.987 8.044 0.829 511 HD22 LEU 79 HD22 LEU 79 -5.283 8.773 -0.748 512 HD23 LEU 79 HD23 LEU 79 -3.779 7.903 -0.448 513 H GLU 80 HN GLU 80 -4.629 5.081 -5.075 514 HA GLU 80 HA GLU 80 -6.690 6.288 -6.621 515 HB2 GLU 80 HB2 GLU 80 -4.301 4.641 -7.469 516 HB3 GLU 80 HB1 GLU 80 -5.277 5.662 -8.529 517 HG2 GLU 80 HG2 GLU 80 -3.779 6.685 -6.134 518 HG3 GLU 80 HG1 GLU 80 -3.124 6.666 -7.763 519 H LEU 81 HN LEU 81 -5.696 2.997 -5.957 520 HA LEU 81 HA LEU 81 -7.414 1.755 -7.867 521 HB2 LEU 81 HB2 LEU 81 -5.424 0.643 -7.218 522 HB3 LEU 81 HB1 LEU 81 -5.804 0.795 -5.529 523 HG LEU 81 HG LEU 81 -7.773 -0.671 -6.008 524 HD11 LEU 81 HD11 LEU 81 -7.787 -0.454 -8.426 525 HD12 LEU 81 HD12 LEU 81 -7.624 -2.142 -7.941 526 HD13 LEU 81 HD13 LEU 81 -6.214 -1.246 -8.506 527 HD21 LEU 81 HD21 LEU 81 -5.850 -1.452 -4.782 528 HD22 LEU 81 HD22 LEU 81 -5.003 -1.791 -6.290 529 HD23 LEU 81 HD23 LEU 81 -6.434 -2.723 -5.856 530 H LEU 82 HN LEU 82 -7.390 2.310 -4.447 531 HA LEU 82 HA LEU 82 -9.690 0.962 -3.689 532 HB2 LEU 82 HB2 LEU 82 -7.632 2.098 -2.445 533 HB3 LEU 82 HB1 LEU 82 -8.789 3.402 -2.262 534 HG LEU 82 HG LEU 82 -10.330 1.886 -1.186 535 HD11 LEU 82 HD11 LEU 82 -8.144 -0.105 -1.659 536 HD12 LEU 82 HD12 LEU 82 -9.819 -0.178 -2.205 537 HD13 LEU 82 HD13 LEU 82 -9.441 -0.365 -0.494 538 HD21 LEU 82 HD21 LEU 82 -8.776 3.156 0.196 539 HD22 LEU 82 HD22 LEU 82 -7.576 1.873 0.038 540 HD23 LEU 82 HD23 LEU 82 -9.080 1.571 0.908 541 H ASN 83 HN ASN 83 -9.102 4.280 -4.591 542 HA ASN 83 HA ASN 83 -11.775 5.231 -4.342 543 HB2 ASN 83 HB2 ASN 83 -9.742 6.679 -4.533 544 HB3 ASN 83 HB1 ASN 83 -9.619 6.221 -6.224 545 HD21 ASN 83 HD21 ASN 83 -9.881 8.258 -7.008 546 HD22 ASN 83 HD22 ASN 83 -11.376 9.125 -6.918 547 H LYS 84 HN LYS 84 -10.616 2.877 -6.175 548 HA LYS 84 HA LYS 84 -11.003 1.788 -8.045 549 HB2 LYS 84 HB2 LYS 84 -13.571 3.060 -7.403 550 HB3 LYS 84 HB1 LYS 84 -13.435 2.298 -8.990 551 HG2 LYS 84 HG2 LYS 84 -12.748 0.215 -7.925 552 HG3 LYS 84 HG1 LYS 84 -12.839 0.982 -6.344 553 HD2 LYS 84 HD2 LYS 84 -15.248 1.294 -6.638 554 HD3 LYS 84 HD1 LYS 84 -15.151 0.532 -8.231 555 HE2 LYS 84 HE2 LYS 84 -14.374 -1.535 -7.224 556 HE3 LYS 84 HE1 LYS 84 -14.366 -0.785 -5.631 557 HZ1 LYS 84 HZ1 LYS 84 -16.763 -0.528 -5.787 558 HZ2 LYS 84 HZ2 LYS 84 -16.319 -2.153 -5.947 559 HZ3 LYS 84 HZ3 LYS 84 -16.767 -1.259 -7.312 560 H THR 85 HN THR 85 -11.483 2.020 -10.469 561 HA THR 85 HA THR 85 -10.069 4.481 -11.195 562 HB THR 85 HB THR 85 -8.409 3.155 -12.454 563 HG1 THR 85 HG1 THR 85 -9.950 1.273 -12.545 564 HG21 THR 85 HG21 THR 85 -7.816 3.823 -10.190 565 HG22 THR 85 HG22 THR 85 -7.191 2.205 -10.502 566 HG23 THR 85 HG23 THR 85 -8.641 2.414 -9.520 Start of MODEL 20 1 H1 ASN 15 HT1 ASN 15 -5.628 6.738 5.550 2 H2 ASN 15 HT2 ASN 15 -6.032 5.842 4.175 3 H3 ASN 15 HT3 ASN 15 -4.719 5.375 5.132 4 HA ASN 15 HA ASN 15 -6.571 3.940 5.530 5 HB2 ASN 15 HB2 ASN 15 -6.805 4.346 8.018 6 HB3 ASN 15 HB1 ASN 15 -5.157 4.227 7.419 7 HD21 ASN 15 HD21 ASN 15 -4.304 5.347 9.131 8 HD22 ASN 15 HD22 ASN 15 -4.532 7.046 9.348 9 H ASP 16 HN ASP 16 -7.445 7.239 5.248 10 HA ASP 16 HA ASP 16 -9.920 7.192 6.631 11 HB2 ASP 16 HB2 ASP 16 -8.743 9.281 6.047 12 HB3 ASP 16 HB1 ASP 16 -9.054 8.973 4.343 13 H ILE 17 HN ILE 17 -9.065 6.776 3.227 14 HA ILE 17 HA ILE 17 -11.658 6.555 2.215 15 HB ILE 17 HB ILE 17 -9.063 5.440 1.155 16 HG12 ILE 17 HG12 ILE 17 -9.442 7.261 -0.555 17 HG13 ILE 17 HG11 ILE 17 -10.756 7.834 0.454 18 HG21 ILE 17 HG21 ILE 17 -11.761 5.488 -0.187 19 HG22 ILE 17 HG22 ILE 17 -10.864 4.054 0.312 20 HG23 ILE 17 HG23 ILE 17 -10.236 5.084 -0.974 21 HD11 ILE 17 HD11 ILE 17 -7.884 7.642 1.307 22 HD12 ILE 17 HD12 ILE 17 -9.227 8.292 2.250 23 HD13 ILE 17 HD13 ILE 17 -8.705 9.112 0.778 24 H CYS 18 HN CYS 18 -9.443 4.123 3.486 25 HA CYS 18 HA CYS 18 -11.086 1.890 2.820 26 HB2 CYS 18 HB2 CYS 18 -8.643 1.714 3.165 27 HB3 CYS 18 HB1 CYS 18 -8.862 2.123 4.862 28 HG CYS 18 HG CYS 18 -10.199 -0.203 5.533 29 H LEU 19 HN LEU 19 -10.566 3.839 5.695 30 HA LEU 19 HA LEU 19 -12.129 2.385 7.510 31 HB2 LEU 19 HB2 LEU 19 -10.555 4.181 8.095 32 HB3 LEU 19 HB1 LEU 19 -11.634 5.353 7.382 33 HG LEU 19 HG LEU 19 -13.343 4.793 9.077 34 HD11 LEU 19 HD11 LEU 19 -12.675 3.474 11.040 35 HD12 LEU 19 HD12 LEU 19 -11.164 3.059 10.230 36 HD13 LEU 19 HD13 LEU 19 -12.702 2.510 9.564 37 HD21 LEU 19 HD21 LEU 19 -12.243 5.910 10.933 38 HD22 LEU 19 HD22 LEU 19 -11.787 6.659 9.402 39 HD23 LEU 19 HD23 LEU 19 -10.666 5.572 10.222 40 H ARG 20 HN ARG 20 -12.926 5.265 5.617 41 HA ARG 20 HA ARG 20 -15.599 5.522 6.342 42 HB2 ARG 20 HB2 ARG 20 -14.166 7.175 5.114 43 HB3 ARG 20 HB1 ARG 20 -14.410 6.218 3.662 44 HG2 ARG 20 HG2 ARG 20 -16.855 6.582 3.900 45 HG3 ARG 20 HG1 ARG 20 -16.513 7.672 5.246 46 HD2 ARG 20 HD2 ARG 20 -15.660 7.978 2.376 47 HD3 ARG 20 HD1 ARG 20 -16.789 8.994 3.272 48 HE ARG 20 HE ARG 20 -14.068 8.839 4.291 49 HH11 ARG 20 HH11 ARG 20 -16.427 10.611 2.427 50 HH12 ARG 20 HH12 ARG 20 -15.561 12.108 2.512 51 HH21 ARG 20 HH21 ARG 20 -12.893 10.793 4.380 52 HH22 ARG 20 HH22 ARG 20 -13.553 12.216 3.628 53 H LYS 21 HN LYS 21 -14.120 3.504 3.891 54 HA LYS 21 HA LYS 21 -16.512 2.836 2.502 55 HB2 LYS 21 HB2 LYS 21 -13.677 2.019 2.467 56 HB3 LYS 21 HB1 LYS 21 -14.824 0.819 1.885 57 HG2 LYS 21 HG2 LYS 21 -14.648 3.641 0.864 58 HG3 LYS 21 HG1 LYS 21 -13.882 2.242 0.106 59 HD2 LYS 21 HD2 LYS 21 -16.110 1.179 -0.079 60 HD3 LYS 21 HD1 LYS 21 -16.821 2.662 0.561 61 HE2 LYS 21 HE2 LYS 21 -15.976 3.910 -1.336 62 HE3 LYS 21 HE1 LYS 21 -15.152 2.482 -1.940 63 HZ1 LYS 21 HZ1 LYS 21 -17.303 1.422 -2.244 64 HZ2 LYS 21 HZ2 LYS 21 -17.204 2.861 -3.124 65 HZ3 LYS 21 HZ3 LYS 21 -18.088 2.811 -1.686 66 H ASN 22 HN ASN 22 -15.742 2.174 5.498 67 HA ASN 22 HA ASN 22 -16.450 0.747 7.100 68 HB2 ASN 22 HB2 ASN 22 -18.617 1.116 5.810 69 HB3 ASN 22 HB1 ASN 22 -18.310 -0.434 5.040 70 HD21 ASN 22 HD21 ASN 22 -19.093 1.188 8.015 71 HD22 ASN 22 HD22 ASN 22 -19.652 -0.213 8.864 72 H TRP 23 HN TRP 23 -14.193 0.079 5.590 73 HA TRP 23 HA TRP 23 -14.288 -2.859 5.512 74 HB2 TRP 23 HB2 TRP 23 -12.163 -0.938 4.531 75 HB3 TRP 23 HB1 TRP 23 -12.082 -2.685 4.399 76 HD1 TRP 23 HD1 TRP 23 -15.199 -2.975 3.324 77 HE1 TRP 23 HE1 TRP 23 -15.626 -2.352 0.846 78 HE3 TRP 23 HE3 TRP 23 -11.084 -0.099 2.517 79 HZ2 TRP 23 HZ2 TRP 23 -14.326 -0.832 -1.187 80 HZ3 TRP 23 HZ3 TRP 23 -10.737 0.899 0.313 81 HH2 TRP 23 HH2 TRP 23 -12.321 0.541 -1.507 82 HA PRO 24 HA PRO 24 -11.598 -3.015 9.129 83 HB2 PRO 24 HB2 PRO 24 -9.955 -5.074 8.509 84 HB3 PRO 24 HB1 PRO 24 -11.632 -5.310 9.009 85 HG2 PRO 24 HG2 PRO 24 -10.448 -5.333 6.268 86 HG3 PRO 24 HG1 PRO 24 -11.682 -6.398 6.965 87 HD2 PRO 24 HD2 PRO 24 -12.267 -4.324 5.309 88 HD3 PRO 24 HD1 PRO 24 -13.376 -4.894 6.567 89 H MET 25 HN MET 25 -8.954 -3.420 9.413 90 HA MET 25 HA MET 25 -7.833 -1.167 8.013 91 HB2 MET 25 HB2 MET 25 -6.638 -3.020 10.069 92 HB3 MET 25 HB1 MET 25 -5.889 -1.544 9.476 93 HG2 MET 25 HG2 MET 25 -8.602 -1.460 10.705 94 HG3 MET 25 HG1 MET 25 -7.174 -1.540 11.721 95 HE1 MET 25 HE1 MET 25 -8.285 0.617 8.409 96 HE2 MET 25 HE2 MET 25 -8.717 2.052 9.336 97 HE3 MET 25 HE3 MET 25 -9.533 0.519 9.649 98 HA PRO 26 HA PRO 26 -6.032 -3.527 4.747 99 HB2 PRO 26 HB2 PRO 26 -4.073 -1.389 4.435 100 HB3 PRO 26 HB1 PRO 26 -5.347 -1.905 3.336 101 HG2 PRO 26 HG2 PRO 26 -5.458 0.442 4.660 102 HG3 PRO 26 HG1 PRO 26 -6.909 -0.495 4.262 103 HD2 PRO 26 HD2 PRO 26 -5.447 -0.276 6.864 104 HD3 PRO 26 HD1 PRO 26 -7.193 -0.325 6.545 105 H SER 27 HN SER 27 -3.981 -4.327 3.987 106 HA SER 27 HA SER 27 -2.214 -5.075 6.173 107 HB2 SER 27 HB2 SER 27 -3.098 -6.734 4.511 108 HB3 SER 27 HB1 SER 27 -2.138 -5.930 3.277 109 HG SER 27 HG SER 27 -1.195 -7.261 5.602 110 H TYR 28 HN TYR 28 -0.012 -4.602 6.275 111 HA TYR 28 HA TYR 28 1.159 -2.922 4.228 112 HB2 TYR 28 HB2 TYR 28 0.749 -2.034 7.081 113 HB3 TYR 28 HB1 TYR 28 2.032 -1.370 6.080 114 HD1 TYR 28 HD2 TYR 28 -1.582 -1.492 6.648 115 HD2 TYR 28 HD1 TYR 28 1.524 0.129 4.225 116 HE1 TYR 28 HE2 TYR 28 -3.150 0.177 5.757 117 HE2 TYR 28 HE1 TYR 28 -0.033 1.803 3.337 118 HH TYR 28 HH TYR 28 -2.440 2.097 3.042 119 H ARG 29 HN ARG 29 2.990 -4.085 3.792 120 HA ARG 29 HA ARG 29 4.806 -4.709 5.937 121 HB2 ARG 29 HB2 ARG 29 3.147 -6.612 5.831 122 HB3 ARG 29 HB1 ARG 29 3.775 -6.954 4.228 123 HG2 ARG 29 HG2 ARG 29 5.941 -7.445 5.105 124 HG3 ARG 29 HG1 ARG 29 5.452 -6.926 6.719 125 HD2 ARG 29 HD2 ARG 29 4.412 -9.292 5.175 126 HD3 ARG 29 HD1 ARG 29 5.407 -9.328 6.631 127 HE ARG 29 HE ARG 29 2.964 -7.911 7.045 128 HH11 ARG 29 HH11 ARG 29 4.358 -11.114 6.892 129 HH12 ARG 29 HH12 ARG 29 3.094 -11.846 7.827 130 HH21 ARG 29 HH21 ARG 29 1.304 -8.856 8.276 131 HH22 ARG 29 HH22 ARG 29 1.362 -10.552 8.638 132 H CYS 30 HN CYS 30 6.838 -4.457 5.226 133 HA CYS 30 HA CYS 30 7.343 -3.668 2.561 134 HB2 CYS 30 HB2 CYS 30 9.782 -3.841 3.320 135 HB3 CYS 30 HB1 CYS 30 8.745 -2.724 4.201 136 HG CYS 30 HG CYS 30 10.057 -5.679 5.242 137 H VAL 31 HN VAL 31 7.760 -4.817 0.814 138 HA VAL 31 HA VAL 31 7.920 -7.697 1.071 139 HB VAL 31 HB VAL 31 7.670 -7.749 -1.368 140 HG11 VAL 31 HG11 VAL 31 5.695 -7.749 0.044 141 HG12 VAL 31 HG12 VAL 31 5.381 -6.863 -1.449 142 HG13 VAL 31 HG13 VAL 31 5.687 -5.986 0.051 143 HG21 VAL 31 HG21 VAL 31 7.551 -4.747 -1.183 144 HG22 VAL 31 HG22 VAL 31 7.175 -5.703 -2.616 145 HG23 VAL 31 HG23 VAL 31 8.815 -5.694 -1.968 146 H LYS 32 HN LYS 32 9.913 -5.030 -0.059 147 HA LYS 32 HA LYS 32 12.194 -6.872 -0.113 148 HB2 LYS 32 HB2 LYS 32 11.364 -6.414 -2.445 149 HB3 LYS 32 HB1 LYS 32 11.744 -4.721 -2.174 150 HG2 LYS 32 HG2 LYS 32 14.079 -5.241 -1.882 151 HG3 LYS 32 HG1 LYS 32 13.738 -6.965 -2.040 152 HD2 LYS 32 HD2 LYS 32 12.938 -6.588 -4.324 153 HD3 LYS 32 HD1 LYS 32 13.305 -4.868 -4.162 154 HE2 LYS 32 HE2 LYS 32 15.655 -5.371 -3.860 155 HE3 LYS 32 HE1 LYS 32 15.315 -7.099 -3.916 156 HZ1 LYS 32 HZ1 LYS 32 14.838 -5.201 -6.149 157 HZ2 LYS 32 HZ2 LYS 32 14.603 -6.876 -6.190 158 HZ3 LYS 32 HZ3 LYS 32 16.162 -6.243 -6.024 159 H GLU 33 HN GLU 33 13.731 -6.187 1.136 160 HA GLU 33 HA GLU 33 14.372 -3.369 1.441 161 HB2 GLU 33 HB2 GLU 33 12.747 -3.542 3.163 162 HB3 GLU 33 HB1 GLU 33 13.316 -5.129 3.647 163 HG2 GLU 33 HG2 GLU 33 15.422 -4.055 4.431 164 HG3 GLU 33 HG1 GLU 33 14.677 -2.492 4.104 165 H GLY 34 HN GLY 34 16.572 -3.059 1.917 166 HA2 GLY 34 HA2 GLY 34 18.580 -3.609 2.982 167 HA3 GLY 34 HA1 GLY 34 17.982 -5.239 3.232 168 H GLY 35 HN GLY 35 20.233 -5.664 2.615 169 HA2 GLY 35 HA2 GLY 35 20.880 -6.938 0.442 170 HA3 GLY 35 HA1 GLY 35 20.871 -5.308 -0.223 171 HA PRO 36 HA PRO 36 25.258 -6.077 1.164 172 HB2 PRO 36 HB2 PRO 36 25.486 -3.861 -0.828 173 HB3 PRO 36 HB1 PRO 36 26.505 -5.287 -0.618 174 HG2 PRO 36 HG2 PRO 36 24.771 -5.177 -2.614 175 HG3 PRO 36 HG1 PRO 36 25.000 -6.684 -1.708 176 HD2 PRO 36 HD2 PRO 36 22.776 -4.697 -1.550 177 HD3 PRO 36 HD1 PRO 36 22.714 -6.467 -1.442 178 H ALA 37 HN ALA 37 24.297 -2.812 0.163 179 HA ALA 37 HA ALA 37 23.952 -1.773 2.772 180 HB1 ALA 37 HB1 ALA 37 26.422 -2.008 2.803 181 HB2 ALA 37 HB2 ALA 37 25.885 -0.335 2.950 182 HB3 ALA 37 HB3 ALA 37 26.513 -0.926 1.414 183 H HIS 38 HN HIS 38 24.913 -1.077 -0.548 184 HA HIS 38 HA HIS 38 23.556 1.453 -0.640 185 HB2 HIS 38 HB2 HIS 38 24.117 1.438 -3.031 186 HB3 HIS 38 HB1 HIS 38 25.520 1.040 -2.051 187 HD1 HIS 38 HD1 HIS 38 26.705 -1.100 -2.590 188 HD2 HIS 38 HD2 HIS 38 22.958 -0.883 -4.376 189 HE1 HIS 38 HE1 HIS 38 26.547 -3.120 -4.078 190 HE2 HIS 38 HE2 HIS 38 24.339 -2.876 -5.274 191 H ALA 39 HN ALA 39 22.063 -1.126 -0.027 192 HA ALA 39 HA ALA 39 20.016 -0.880 -2.128 193 HB1 ALA 39 HB1 ALA 39 21.217 -2.993 -2.354 194 HB2 ALA 39 HB2 ALA 39 19.539 -3.259 -1.880 195 HB3 ALA 39 HB3 ALA 39 20.826 -3.395 -0.682 196 H LYS 40 HN LYS 40 20.131 0.606 0.277 197 HA LYS 40 HA LYS 40 18.252 -0.601 2.093 198 HB2 LYS 40 HB2 LYS 40 20.195 1.515 2.138 199 HB3 LYS 40 HB1 LYS 40 18.681 2.024 2.832 200 HG2 LYS 40 HG2 LYS 40 20.235 -0.416 3.655 201 HG3 LYS 40 HG1 LYS 40 20.242 1.126 4.500 202 HD2 LYS 40 HD2 LYS 40 17.804 0.903 4.848 203 HD3 LYS 40 HD1 LYS 40 17.880 -0.698 4.112 204 HE2 LYS 40 HE2 LYS 40 19.361 -1.472 5.857 205 HE3 LYS 40 HE1 LYS 40 19.432 0.144 6.555 206 HZ1 LYS 40 HZ1 LYS 40 17.909 -1.251 7.781 207 HZ2 LYS 40 HZ2 LYS 40 17.013 -1.571 6.387 208 HZ3 LYS 40 HZ3 LYS 40 17.054 -0.006 7.021 209 H ARG 41 HN ARG 41 17.709 0.345 -0.761 210 HA ARG 41 HA ARG 41 15.567 2.244 -0.336 211 HB2 ARG 41 HB2 ARG 41 15.055 1.373 -2.803 212 HB3 ARG 41 HB1 ARG 41 16.307 2.564 -2.487 213 HG2 ARG 41 HG2 ARG 41 18.013 0.863 -2.580 214 HG3 ARG 41 HG1 ARG 41 16.792 -0.402 -2.718 215 HD2 ARG 41 HD2 ARG 41 17.031 1.820 -4.725 216 HD3 ARG 41 HD1 ARG 41 17.974 0.337 -4.855 217 HE ARG 41 HE ARG 41 15.312 -0.403 -4.538 218 HH11 ARG 41 HH11 ARG 41 17.255 1.343 -6.861 219 HH12 ARG 41 HH12 ARG 41 16.310 0.842 -8.226 220 HH21 ARG 41 HH21 ARG 41 14.071 -1.094 -6.345 221 HH22 ARG 41 HH22 ARG 41 14.502 -0.549 -7.935 222 H PHE 42 HN PHE 42 13.456 1.741 -0.157 223 HA PHE 42 HA PHE 42 12.961 -1.099 0.415 224 HB2 PHE 42 HB2 PHE 42 11.456 1.242 1.580 225 HB3 PHE 42 HB1 PHE 42 11.454 -0.426 2.138 226 HD1 PHE 42 HD1 PHE 42 13.995 -1.286 2.664 227 HD2 PHE 42 HD2 PHE 42 12.590 2.720 2.885 228 HE1 PHE 42 HE1 PHE 42 15.789 -0.748 4.256 229 HE2 PHE 42 HE2 PHE 42 14.383 3.265 4.476 230 HZ PHE 42 HZ PHE 42 15.981 1.533 5.166 231 H THR 43 HN THR 43 11.312 -2.111 -0.459 232 HA THR 43 HA THR 43 9.392 -0.573 -2.073 233 HB THR 43 HB THR 43 10.426 -3.359 -2.682 234 HG1 THR 43 HG1 THR 43 11.038 -1.487 -4.544 235 HG21 THR 43 HG21 THR 43 9.290 -3.066 -4.819 236 HG22 THR 43 HG22 THR 43 8.746 -1.463 -4.325 237 HG23 THR 43 HG23 THR 43 8.151 -2.893 -3.484 238 H PHE 44 HN PHE 44 7.223 -1.035 -1.552 239 HA PHE 44 HA PHE 44 6.731 -3.361 0.122 240 HB2 PHE 44 HB2 PHE 44 6.803 -1.981 1.932 241 HB3 PHE 44 HB1 PHE 44 6.710 -0.530 0.944 242 HD1 PHE 44 HD2 PHE 44 4.595 -3.314 2.199 243 HD2 PHE 44 HD1 PHE 44 4.834 0.756 1.017 244 HE1 PHE 44 HE2 PHE 44 2.256 -2.992 2.854 245 HE2 PHE 44 HE1 PHE 44 2.500 1.087 1.691 246 HZ PHE 44 HZ PHE 44 1.210 -0.788 2.616 247 H GLY 45 HN GLY 45 4.480 -4.002 0.097 248 HA2 GLY 45 HA2 GLY 45 2.896 -2.697 -2.023 249 HA3 GLY 45 HA1 GLY 45 3.010 -4.447 -1.893 250 H VAL 46 HN VAL 46 0.764 -2.356 -1.589 251 HA VAL 46 HA VAL 46 -0.132 -3.047 1.143 252 HB VAL 46 HB VAL 46 -1.701 -1.131 -0.479 253 HG11 VAL 46 HG11 VAL 46 -2.425 -1.566 1.725 254 HG12 VAL 46 HG12 VAL 46 -1.746 0.063 1.721 255 HG13 VAL 46 HG13 VAL 46 -0.816 -1.278 2.385 256 HG21 VAL 46 HG21 VAL 46 -0.223 0.764 0.071 257 HG22 VAL 46 HG22 VAL 46 0.474 -0.355 -1.099 258 HG23 VAL 46 HG23 VAL 46 1.012 -0.386 0.579 259 H ARG 47 HN ARG 47 -2.367 -3.779 1.386 260 HA ARG 47 HA ARG 47 -3.920 -4.084 -1.014 261 HB2 ARG 47 HB2 ARG 47 -4.501 -6.465 -0.419 262 HB3 ARG 47 HB1 ARG 47 -2.884 -6.229 -1.062 263 HG2 ARG 47 HG2 ARG 47 -2.058 -6.263 1.313 264 HG3 ARG 47 HG1 ARG 47 -3.685 -6.747 1.786 265 HD2 ARG 47 HD2 ARG 47 -3.539 -8.704 0.347 266 HD3 ARG 47 HD1 ARG 47 -1.928 -8.216 -0.174 267 HE ARG 47 HE ARG 47 -2.360 -8.687 2.677 268 HH11 ARG 47 HH11 ARG 47 -1.039 -9.777 -0.370 269 HH12 ARG 47 HH12 ARG 47 0.004 -10.955 0.356 270 HH21 ARG 47 HH21 ARG 47 -1.008 -10.245 3.635 271 HH22 ARG 47 HH22 ARG 47 0.014 -11.227 2.637 272 H VAL 48 HN VAL 48 -6.125 -4.216 -0.586 273 HA VAL 48 HA VAL 48 -6.874 -3.622 2.213 274 HB VAL 48 HB VAL 48 -7.836 -2.283 -0.317 275 HG11 VAL 48 HG11 VAL 48 -9.727 -2.667 1.204 276 HG12 VAL 48 HG12 VAL 48 -9.333 -0.955 1.053 277 HG13 VAL 48 HG13 VAL 48 -8.839 -1.850 2.489 278 HG21 VAL 48 HG21 VAL 48 -6.561 -1.098 2.133 279 HG22 VAL 48 HG22 VAL 48 -6.930 -0.276 0.617 280 HG23 VAL 48 HG23 VAL 48 -5.682 -1.523 0.665 281 H ASN 49 HN ASN 49 -9.056 -4.217 2.808 282 HA ASN 49 HA ASN 49 -9.958 -6.565 1.323 283 HB2 ASN 49 HB2 ASN 49 -9.565 -6.663 3.821 284 HB3 ASN 49 HB1 ASN 49 -10.952 -5.595 4.007 285 HD21 ASN 49 HD21 ASN 49 -13.022 -6.374 3.531 286 HD22 ASN 49 HD22 ASN 49 -13.351 -8.067 3.388 287 H THR 50 HN THR 50 -10.800 -5.417 -0.342 288 HA THR 50 HA THR 50 -12.969 -3.539 -0.025 289 HB THR 50 HB THR 50 -13.491 -3.939 -2.452 290 HG1 THR 50 HG1 THR 50 -11.370 -5.796 -2.126 291 HG21 THR 50 HG21 THR 50 -11.457 -2.840 -3.274 292 HG22 THR 50 HG22 THR 50 -10.643 -3.230 -1.759 293 HG23 THR 50 HG23 THR 50 -12.025 -2.134 -1.760 294 H SER 51 HN SER 51 -14.783 -4.095 0.908 295 HA SER 51 HA SER 51 -15.475 -6.570 1.747 296 HB2 SER 51 HB2 SER 51 -16.475 -4.405 2.481 297 HB3 SER 51 HB1 SER 51 -17.486 -4.433 1.041 298 HG SER 51 HG SER 51 -18.420 -6.358 1.793 299 H ASP 52 HN ASP 52 -16.591 -5.100 -1.287 300 HA ASP 52 HA ASP 52 -18.292 -7.343 -1.872 301 HB2 ASP 52 HB2 ASP 52 -18.906 -6.165 -3.868 302 HB3 ASP 52 HB1 ASP 52 -18.896 -5.042 -2.515 303 H ARG 53 HN ARG 53 -14.955 -6.961 -2.251 304 HA ARG 53 HA ARG 53 -14.989 -9.026 -4.345 305 HB2 ARG 53 HB2 ARG 53 -13.130 -6.647 -4.247 306 HB3 ARG 53 HB1 ARG 53 -12.939 -8.020 -5.325 307 HG2 ARG 53 HG2 ARG 53 -15.088 -7.499 -6.363 308 HG3 ARG 53 HG1 ARG 53 -15.257 -6.109 -5.288 309 HD2 ARG 53 HD2 ARG 53 -14.416 -5.365 -7.418 310 HD3 ARG 53 HD1 ARG 53 -13.157 -5.196 -6.194 311 HE ARG 53 HE ARG 53 -12.707 -7.653 -7.306 312 HH11 ARG 53 HH11 ARG 53 -12.984 -4.399 -8.539 313 HH12 ARG 53 HH12 ARG 53 -11.909 -4.665 -9.870 314 HH21 ARG 53 HH21 ARG 53 -11.263 -8.020 -9.053 315 HH22 ARG 53 HH22 ARG 53 -10.925 -6.729 -10.165 316 H GLY 54 HN GLY 54 -13.014 -7.399 -1.905 317 HA2 GLY 54 HA2 GLY 54 -12.199 -8.889 -0.101 318 HA3 GLY 54 HA1 GLY 54 -11.683 -9.966 -1.380 319 H TRP 55 HN TRP 55 -9.590 -9.893 -0.466 320 HA TRP 55 HA TRP 55 -7.951 -7.688 -0.235 321 HB2 TRP 55 HB2 TRP 55 -7.449 -10.538 -0.963 322 HB3 TRP 55 HB1 TRP 55 -6.140 -9.385 -1.167 323 HD1 TRP 55 HD1 TRP 55 -6.904 -11.848 1.166 324 HE1 TRP 55 HE1 TRP 55 -6.208 -11.254 3.569 325 HE3 TRP 55 HE3 TRP 55 -6.403 -6.794 0.643 326 HZ2 TRP 55 HZ2 TRP 55 -5.519 -8.936 5.031 327 HZ3 TRP 55 HZ3 TRP 55 -5.722 -5.468 2.594 328 HH2 TRP 55 HH2 TRP 55 -5.301 -6.511 4.748 329 H THR 56 HN THR 56 -7.522 -6.131 -1.594 330 HA THR 56 HA THR 56 -8.031 -6.234 -4.377 331 HB THR 56 HB THR 56 -6.807 -4.048 -4.433 332 HG1 THR 56 HG1 THR 56 -5.492 -3.691 -2.823 333 HG21 THR 56 HG21 THR 56 -9.208 -4.128 -4.026 334 HG22 THR 56 HG22 THR 56 -8.458 -2.831 -3.094 335 HG23 THR 56 HG23 THR 56 -8.918 -4.338 -2.300 336 H ASP 57 HN ASP 57 -6.337 -5.654 -6.037 337 HA ASP 57 HA ASP 57 -4.155 -7.438 -6.029 338 HB2 ASP 57 HB2 ASP 57 -4.569 -4.911 -7.635 339 HB3 ASP 57 HB1 ASP 57 -3.278 -6.066 -7.926 340 H GLU 58 HN GLU 58 -2.191 -7.273 -5.192 341 HA GLU 58 HA GLU 58 -1.694 -5.401 -3.188 342 HB2 GLU 58 HB2 GLU 58 -0.707 -7.585 -3.118 343 HB3 GLU 58 HB1 GLU 58 0.195 -7.284 -4.593 344 HG2 GLU 58 HG2 GLU 58 1.544 -5.637 -3.474 345 HG3 GLU 58 HG1 GLU 58 0.568 -5.784 -2.012 346 H CYS 59 HN CYS 59 -1.058 -3.434 -3.267 347 HA CYS 59 HA CYS 59 -0.162 -2.311 -5.807 348 HB2 CYS 59 HB2 CYS 59 -0.932 -0.889 -3.250 349 HB3 CYS 59 HB1 CYS 59 -0.713 -0.155 -4.837 350 HG CYS 59 HG CYS 59 -2.981 -2.607 -4.827 351 H ILE 60 HN ILE 60 1.968 -2.718 -5.999 352 HA ILE 60 HA ILE 60 3.801 -2.373 -3.809 353 HB ILE 60 HB ILE 60 4.298 -2.840 -6.757 354 HG12 ILE 60 HG12 ILE 60 3.033 -4.645 -5.561 355 HG13 ILE 60 HG11 ILE 60 4.571 -5.156 -6.248 356 HG21 ILE 60 HG21 ILE 60 6.538 -3.537 -6.068 357 HG22 ILE 60 HG22 ILE 60 6.162 -3.048 -4.416 358 HG23 ILE 60 HG23 ILE 60 6.217 -1.843 -5.702 359 HD11 ILE 60 HD11 ILE 60 4.139 -6.057 -3.998 360 HD12 ILE 60 HD12 ILE 60 4.160 -4.407 -3.377 361 HD13 ILE 60 HD13 ILE 60 5.609 -5.093 -4.101 362 H GLY 61 HN GLY 61 4.699 -0.507 -3.249 363 HA2 GLY 61 HA2 GLY 61 4.316 1.858 -4.862 364 HA3 GLY 61 HA1 GLY 61 5.078 1.783 -3.280 365 H GLU 62 HN GLU 62 6.436 3.394 -4.601 366 HA GLU 62 HA GLU 62 8.338 2.151 -6.395 367 HB2 GLU 62 HB2 GLU 62 8.121 4.962 -5.302 368 HB3 GLU 62 HB1 GLU 62 9.331 4.441 -6.465 369 HG2 GLU 62 HG2 GLU 62 7.499 3.834 -8.019 370 HG3 GLU 62 HG1 GLU 62 6.352 4.518 -6.868 371 HA PRO 63 HA PRO 63 11.423 1.255 -3.333 372 HB2 PRO 63 HB2 PRO 63 13.690 1.861 -4.754 373 HB3 PRO 63 HB1 PRO 63 12.779 0.360 -4.949 374 HG2 PRO 63 HG2 PRO 63 12.713 2.846 -6.610 375 HG3 PRO 63 HG1 PRO 63 12.696 1.151 -7.130 376 HD2 PRO 63 HD2 PRO 63 10.455 2.640 -7.059 377 HD3 PRO 63 HD1 PRO 63 10.439 0.907 -6.682 378 H MET 64 HN MET 64 11.513 2.648 -1.657 379 HA MET 64 HA MET 64 12.394 5.405 -2.197 380 HB2 MET 64 HB2 MET 64 10.526 4.474 -0.016 381 HB3 MET 64 HB1 MET 64 10.981 6.136 -0.372 382 HG2 MET 64 HG2 MET 64 9.382 4.300 -2.137 383 HG3 MET 64 HG1 MET 64 8.779 5.665 -1.208 384 HE1 MET 64 HE1 MET 64 10.734 8.017 -1.630 385 HE2 MET 64 HE2 MET 64 8.984 8.109 -1.836 386 HE3 MET 64 HE3 MET 64 10.056 8.751 -3.083 387 HA PRO 65 HA PRO 65 15.686 4.396 0.558 388 HB2 PRO 65 HB2 PRO 65 16.701 6.834 1.012 389 HB3 PRO 65 HB1 PRO 65 16.790 6.069 -0.579 390 HG2 PRO 65 HG2 PRO 65 14.896 8.159 0.414 391 HG3 PRO 65 HG1 PRO 65 15.727 8.055 -1.147 392 HD2 PRO 65 HD2 PRO 65 13.120 7.299 -0.744 393 HD3 PRO 65 HD1 PRO 65 14.160 6.633 -2.019 394 H SER 66 HN SER 66 12.867 5.282 1.740 395 HA SER 66 HA SER 66 13.778 5.165 4.466 396 HB2 SER 66 HB2 SER 66 13.832 7.529 4.310 397 HB3 SER 66 HB1 SER 66 12.372 7.578 3.326 398 HG SER 66 HG SER 66 12.666 7.310 6.090 399 H VAL 67 HN VAL 67 12.231 4.292 5.806 400 HA VAL 67 HA VAL 67 10.331 2.638 4.473 401 HB VAL 67 HB VAL 67 10.559 3.099 7.452 402 HG11 VAL 67 HG11 VAL 67 8.549 1.907 6.758 403 HG12 VAL 67 HG12 VAL 67 9.648 0.840 7.630 404 HG13 VAL 67 HG13 VAL 67 9.535 0.744 5.873 405 HG21 VAL 67 HG21 VAL 67 12.068 1.139 5.727 406 HG22 VAL 67 HG22 VAL 67 12.079 1.171 7.490 407 HG23 VAL 67 HG23 VAL 67 12.750 2.524 6.580 408 H LYS 68 HN LYS 68 10.170 5.763 5.925 409 HA LYS 68 HA LYS 68 7.399 5.664 6.653 410 HB2 LYS 68 HB2 LYS 68 9.204 8.055 6.238 411 HB3 LYS 68 HB1 LYS 68 7.657 8.057 7.073 412 HG2 LYS 68 HG2 LYS 68 10.049 6.467 7.965 413 HG3 LYS 68 HG1 LYS 68 9.647 8.075 8.564 414 HD2 LYS 68 HD2 LYS 68 7.587 7.289 9.491 415 HD3 LYS 68 HD1 LYS 68 7.779 5.717 8.713 416 HE2 LYS 68 HE2 LYS 68 8.335 5.647 11.103 417 HE3 LYS 68 HE1 LYS 68 9.709 5.237 10.084 418 HZ1 LYS 68 HZ1 LYS 68 9.237 7.874 11.357 419 HZ2 LYS 68 HZ2 LYS 68 10.563 7.474 10.391 420 HZ3 LYS 68 HZ3 LYS 68 10.345 6.711 11.884 421 H LYS 69 HN LYS 69 9.272 6.968 3.955 422 HA LYS 69 HA LYS 69 6.907 7.904 2.603 423 HB2 LYS 69 HB2 LYS 69 8.599 8.328 0.703 424 HB3 LYS 69 HB1 LYS 69 8.701 9.307 2.158 425 HG2 LYS 69 HG2 LYS 69 10.513 7.916 2.978 426 HG3 LYS 69 HG1 LYS 69 10.406 6.913 1.534 427 HD2 LYS 69 HD2 LYS 69 12.230 8.492 1.303 428 HD3 LYS 69 HD1 LYS 69 10.953 8.881 0.156 429 HE2 LYS 69 HE2 LYS 69 11.784 10.916 1.147 430 HE3 LYS 69 HE1 LYS 69 10.136 10.630 1.698 431 HZ1 LYS 69 HZ1 LYS 69 11.014 9.787 3.782 432 HZ2 LYS 69 HZ2 LYS 69 11.581 11.352 3.495 433 HZ3 LYS 69 HZ3 LYS 69 12.601 10.030 3.247 434 H ALA 70 HN ALA 70 8.772 5.022 2.741 435 HA ALA 70 HA ALA 70 8.116 3.834 0.306 436 HB1 ALA 70 HB1 ALA 70 8.491 1.699 1.418 437 HB2 ALA 70 HB2 ALA 70 8.398 2.488 2.993 438 HB3 ALA 70 HB3 ALA 70 9.720 2.871 1.890 439 H LYS 71 HN LYS 71 6.418 3.402 3.435 440 HA LYS 71 HA LYS 71 4.129 2.150 2.555 441 HB2 LYS 71 HB2 LYS 71 4.323 4.272 4.707 442 HB3 LYS 71 HB1 LYS 71 3.047 3.076 4.548 443 HG2 LYS 71 HG2 LYS 71 4.552 1.298 5.090 444 HG3 LYS 71 HG1 LYS 71 5.938 2.391 5.032 445 HD2 LYS 71 HD2 LYS 71 4.990 3.661 6.917 446 HD3 LYS 71 HD1 LYS 71 3.645 2.524 6.992 447 HE2 LYS 71 HE2 LYS 71 6.540 1.761 7.334 448 HE3 LYS 71 HE1 LYS 71 5.442 2.104 8.666 449 HZ1 LYS 71 HZ1 LYS 71 4.050 0.269 7.941 450 HZ2 LYS 71 HZ2 LYS 71 5.618 -0.264 8.259 451 HZ3 LYS 71 HZ3 LYS 71 5.104 -0.059 6.663 452 H ASP 72 HN ASP 72 4.718 5.634 2.924 453 HA ASP 72 HA ASP 72 2.343 6.662 2.038 454 HB2 ASP 72 HB2 ASP 72 4.103 8.058 2.960 455 HB3 ASP 72 HB1 ASP 72 5.114 7.758 1.551 456 H SER 73 HN SER 73 5.162 5.891 -0.042 457 HA SER 73 HA SER 73 4.080 6.780 -2.440 458 HB2 SER 73 HB2 SER 73 6.441 6.204 -2.189 459 HB3 SER 73 HB1 SER 73 6.022 4.511 -1.929 460 HG SER 73 HG SER 73 5.557 6.009 -4.302 461 H ALA 74 HN ALA 74 3.863 3.579 -0.919 462 HA ALA 74 HA ALA 74 2.496 2.389 -3.124 463 HB1 ALA 74 HB1 ALA 74 2.541 1.437 -0.268 464 HB2 ALA 74 HB2 ALA 74 3.844 1.155 -1.426 465 HB3 ALA 74 HB3 ALA 74 2.242 0.479 -1.720 466 H ALA 75 HN ALA 75 1.480 3.701 -0.013 467 HA ALA 75 HA ALA 75 -1.233 3.175 -0.087 468 HB1 ALA 75 HB1 ALA 75 -1.507 5.041 1.455 469 HB2 ALA 75 HB2 ALA 75 0.104 5.630 1.044 470 HB3 ALA 75 HB3 ALA 75 -0.086 4.083 1.869 471 H VAL 76 HN VAL 76 0.524 5.862 -1.619 472 HA VAL 76 HA VAL 76 -1.751 7.351 -2.386 473 HB VAL 76 HB VAL 76 1.013 7.277 -3.617 474 HG11 VAL 76 HG11 VAL 76 0.465 9.414 -4.643 475 HG12 VAL 76 HG12 VAL 76 -1.165 9.333 -3.979 476 HG13 VAL 76 HG13 VAL 76 -0.650 8.164 -5.193 477 HG21 VAL 76 HG21 VAL 76 0.998 7.967 -1.281 478 HG22 VAL 76 HG22 VAL 76 -0.233 9.179 -1.637 479 HG23 VAL 76 HG23 VAL 76 1.379 9.328 -2.335 480 H LEU 77 HN LEU 77 -0.022 4.695 -3.865 481 HA LEU 77 HA LEU 77 -1.395 4.815 -6.380 482 HB2 LEU 77 HB2 LEU 77 0.154 2.563 -5.089 483 HB3 LEU 77 HB1 LEU 77 -0.338 2.635 -6.767 484 HG LEU 77 HG LEU 77 1.534 4.633 -5.508 485 HD11 LEU 77 HD11 LEU 77 2.196 2.204 -7.161 486 HD12 LEU 77 HD12 LEU 77 2.500 2.388 -5.436 487 HD13 LEU 77 HD13 LEU 77 3.337 3.421 -6.594 488 HD21 LEU 77 HD21 LEU 77 2.065 5.188 -7.816 489 HD22 LEU 77 HD22 LEU 77 0.343 5.397 -7.507 490 HD23 LEU 77 HD23 LEU 77 0.914 3.981 -8.386 491 H LEU 78 HN LEU 78 -1.698 3.115 -3.357 492 HA LEU 78 HA LEU 78 -3.728 1.291 -4.033 493 HB2 LEU 78 HB2 LEU 78 -2.429 0.972 -2.075 494 HB3 LEU 78 HB1 LEU 78 -2.830 2.565 -1.471 495 HG LEU 78 HG LEU 78 -5.228 1.737 -1.306 496 HD11 LEU 78 HD11 LEU 78 -5.546 -0.654 -1.150 497 HD12 LEU 78 HD12 LEU 78 -3.848 -0.933 -1.531 498 HD13 LEU 78 HD13 LEU 78 -4.921 -0.235 -2.745 499 HD21 LEU 78 HD21 LEU 78 -3.193 0.372 0.440 500 HD22 LEU 78 HD22 LEU 78 -4.833 0.853 0.876 501 HD23 LEU 78 HD23 LEU 78 -3.603 2.082 0.564 502 H LEU 79 HN LEU 79 -3.825 4.554 -2.666 503 HA LEU 79 HA LEU 79 -6.607 4.696 -2.308 504 HB2 LEU 79 HB2 LEU 79 -4.376 6.618 -2.397 505 HB3 LEU 79 HB1 LEU 79 -5.957 7.280 -2.750 506 HG LEU 79 HG LEU 79 -6.792 6.410 -0.596 507 HD11 LEU 79 HD11 LEU 79 -5.295 4.524 -0.319 508 HD12 LEU 79 HD12 LEU 79 -5.194 5.602 1.074 509 HD13 LEU 79 HD13 LEU 79 -3.921 5.616 -0.147 510 HD21 LEU 79 HD21 LEU 79 -4.344 8.152 -0.400 511 HD22 LEU 79 HD22 LEU 79 -5.599 8.000 0.829 512 HD23 LEU 79 HD23 LEU 79 -5.987 8.693 -0.746 513 H GLU 80 HN GLU 80 -4.686 4.919 -5.166 514 HA GLU 80 HA GLU 80 -6.723 6.159 -6.763 515 HB2 GLU 80 HB2 GLU 80 -4.302 4.540 -7.568 516 HB3 GLU 80 HB1 GLU 80 -5.349 5.414 -8.686 517 HG2 GLU 80 HG2 GLU 80 -4.777 7.477 -7.262 518 HG3 GLU 80 HG1 GLU 80 -3.452 6.493 -6.642 519 H LEU 81 HN LEU 81 -5.730 2.878 -6.003 520 HA LEU 81 HA LEU 81 -7.411 1.527 -7.840 521 HB2 LEU 81 HB2 LEU 81 -5.404 0.821 -6.152 522 HB3 LEU 81 HB1 LEU 81 -6.796 0.265 -5.251 523 HG LEU 81 HG LEU 81 -6.059 -0.563 -8.044 524 HD11 LEU 81 HD11 LEU 81 -4.576 -1.421 -6.265 525 HD12 LEU 81 HD12 LEU 81 -5.493 -2.695 -7.069 526 HD13 LEU 81 HD13 LEU 81 -5.982 -2.132 -5.471 527 HD21 LEU 81 HD21 LEU 81 -8.477 -0.580 -7.723 528 HD22 LEU 81 HD22 LEU 81 -8.285 -1.534 -6.253 529 HD23 LEU 81 HD23 LEU 81 -7.847 -2.224 -7.814 530 H LEU 82 HN LEU 82 -7.665 2.471 -4.480 531 HA LEU 82 HA LEU 82 -10.261 1.499 -3.994 532 HB2 LEU 82 HB2 LEU 82 -8.233 3.101 -2.646 533 HB3 LEU 82 HB1 LEU 82 -9.872 3.560 -2.229 534 HG LEU 82 HG LEU 82 -10.358 1.460 -1.344 535 HD11 LEU 82 HD11 LEU 82 -7.846 0.453 -2.638 536 HD12 LEU 82 HD12 LEU 82 -9.512 -0.014 -3.002 537 HD13 LEU 82 HD13 LEU 82 -8.789 -0.460 -1.458 538 HD21 LEU 82 HD21 LEU 82 -7.517 2.117 -0.604 539 HD22 LEU 82 HD22 LEU 82 -8.611 1.106 0.340 540 HD23 LEU 82 HD23 LEU 82 -8.970 2.816 0.112 541 H ASN 83 HN ASN 83 -9.122 4.277 -5.633 542 HA ASN 83 HA ASN 83 -11.678 5.664 -5.432 543 HB2 ASN 83 HB2 ASN 83 -9.503 6.919 -5.503 544 HB3 ASN 83 HB1 ASN 83 -9.266 6.328 -7.142 545 HD21 ASN 83 HD21 ASN 83 -11.150 8.423 -5.092 546 HD22 ASN 83 HD22 ASN 83 -11.831 9.376 -6.363 547 H LYS 84 HN LYS 84 -10.569 3.068 -6.943 548 HA LYS 84 HA LYS 84 -11.433 1.674 -8.472 549 HB2 LYS 84 HB2 LYS 84 -13.219 3.994 -8.808 550 HB3 LYS 84 HB1 LYS 84 -13.229 2.761 -10.070 551 HG2 LYS 84 HG2 LYS 84 -13.819 1.079 -8.408 552 HG3 LYS 84 HG1 LYS 84 -13.730 2.288 -7.129 553 HD2 LYS 84 HD2 LYS 84 -16.035 1.942 -7.686 554 HD3 LYS 84 HD1 LYS 84 -15.558 3.535 -8.268 555 HE2 LYS 84 HE2 LYS 84 -15.303 2.648 -10.522 556 HE3 LYS 84 HE1 LYS 84 -15.728 1.036 -9.949 557 HZ1 LYS 84 HZ1 LYS 84 -17.497 3.420 -9.916 558 HZ2 LYS 84 HZ2 LYS 84 -17.910 1.894 -9.319 559 HZ3 LYS 84 HZ3 LYS 84 -17.619 2.104 -10.970 560 H THR 85 HN THR 85 -11.017 1.229 -10.719 561 HA THR 85 HA THR 85 -9.284 3.136 -12.047 562 HB THR 85 HB THR 85 -7.408 1.408 -12.131 563 HG1 THR 85 HG1 THR 85 -8.975 -0.184 -11.045 564 HG21 THR 85 HG21 THR 85 -7.210 3.458 -10.812 565 HG22 THR 85 HG22 THR 85 -6.441 2.103 -9.987 566 HG23 THR 85 HG23 THR 85 -8.022 2.674 -9.455
Contact the webmaster for help, if required. Wednesday, May 29, 2024 9:22:32 AM GMT (wattos1)