NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
593639 | 2mt7 | 25151 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 0.849 0.448 1.966 2 HA2 GLY 1 HA2 GLY 1 0.282 0.042 -0.628 3 HA3 GLY 1 HA3 GLY 1 1.932 -0.036 -0.028 4 H ASN 2 H ASN 2 2.931 -1.742 -0.853 5 HA ASN 2 HA ASN 2 1.659 -3.982 -1.956 6 HB2 ASN 2 HB2 ASN 2 4.503 -3.768 -0.943 7 HB3 ASN 2 HB3 ASN 2 3.893 -4.981 -2.064 8 HD21 ASN 2 HD21 ASN 2 3.578 -4.457 -4.185 9 HD22 ASN 2 HD22 ASN 2 4.092 -2.960 -4.878 10 H ASP 3 H ASP 3 1.981 -6.258 -1.244 11 HA ASP 3 HA ASP 3 2.323 -6.729 1.583 12 HB2 ASP 3 HB2 ASP 3 0.069 -7.794 1.831 13 HB3 ASP 3 HB3 ASP 3 0.019 -6.045 1.635 14 H CYS 4 H CYS 4 3.550 -8.482 1.627 15 HA CYS 4 HA CYS 4 2.810 -10.781 -0.028 16 HB2 CYS 4 HB2 CYS 4 5.307 -11.134 -0.458 17 HB3 CYS 4 HB3 CYS 4 4.512 -9.861 -1.378 18 H LEU 5 H LEU 5 4.387 -12.686 0.619 19 HA LEU 5 HA LEU 5 4.488 -12.723 3.563 20 HB2 LEU 5 HB2 LEU 5 4.140 -15.071 1.707 21 HB3 LEU 5 HB3 LEU 5 4.069 -15.097 3.468 22 HG LEU 5 HG LEU 5 2.110 -13.496 1.853 23 HD11 LEU 5 HD11 LEU 5 2.215 -16.434 2.272 24 HD12 LEU 5 HD12 LEU 5 1.591 -15.504 0.910 25 HD13 LEU 5 HD13 LEU 5 0.650 -15.630 2.396 26 HD21 LEU 5 HD21 LEU 5 0.743 -13.690 3.815 27 HD22 LEU 5 HD22 LEU 5 2.340 -13.118 4.299 28 HD23 LEU 5 HD23 LEU 5 1.891 -14.804 4.560 29 H GLY 6 H GLY 6 6.108 -14.263 4.478 30 HA2 GLY 6 HA2 GLY 6 8.655 -13.842 3.130 31 HA3 GLY 6 HA3 GLY 6 8.428 -14.404 4.780 32 H PHE 7 H PHE 7 9.917 -16.087 4.502 33 HA PHE 7 HA PHE 7 9.405 -18.091 2.466 34 HB2 PHE 7 HB2 PHE 7 11.699 -17.215 3.713 35 HB3 PHE 7 HB3 PHE 7 11.388 -18.748 4.521 36 HD1 PHE 7 HD1 PHE 7 10.835 -20.752 2.919 37 HD2 PHE 7 HD2 PHE 7 12.898 -17.216 1.754 38 HE1 PHE 7 HE1 PHE 7 11.818 -21.957 1.012 39 HE2 PHE 7 HE2 PHE 7 13.883 -18.415 -0.156 40 HZ PHE 7 HZ PHE 7 13.342 -20.788 -0.529 41 H TRP 8 H TRP 8 8.958 -20.287 2.911 42 HA TRP 8 HA TRP 8 7.716 -21.937 3.871 43 HB2 TRP 8 HB2 TRP 8 8.837 -20.977 6.502 44 HB3 TRP 8 HB3 TRP 8 8.382 -22.617 6.048 45 HD1 TRP 8 HD1 TRP 8 11.357 -20.593 6.510 46 HE1 TRP 8 HE1 TRP 8 13.390 -21.607 5.299 47 HE3 TRP 8 HE3 TRP 8 8.924 -23.920 3.485 48 HZ2 TRP 8 HZ2 TRP 8 13.895 -23.558 3.324 49 HZ3 TRP 8 HZ3 TRP 8 10.255 -25.323 1.964 50 HH2 TRP 8 HH2 TRP 8 12.689 -25.144 1.886 51 H SER 9 H SER 9 6.495 -19.283 3.624 52 HA SER 9 HA SER 9 4.704 -19.190 5.937 53 HB2 SER 9 HB2 SER 9 5.875 -17.140 4.721 54 HB3 SER 9 HB3 SER 9 4.465 -17.262 3.670 55 HG SER 9 HG SER 9 4.610 -16.631 6.398 56 H ALA 10 H ALA 10 2.770 -20.109 5.877 57 HA ALA 10 HA ALA 10 1.785 -21.642 3.808 58 HB1 ALA 10 HB1 ALA 10 -0.468 -20.696 5.199 59 HB2 ALA 10 HB2 ALA 10 0.413 -22.203 5.459 60 HB3 ALA 10 HB3 ALA 10 0.854 -20.756 6.366 61 H CYS 11 H CYS 11 0.470 -21.328 2.074 62 HA CYS 11 HA CYS 11 -0.853 -18.790 1.646 63 HB2 CYS 11 HB2 CYS 11 0.249 -18.483 -0.597 64 HB3 CYS 11 HB3 CYS 11 1.297 -18.188 0.787 65 H ASN 12 H ASN 12 -1.627 -18.911 -0.883 66 HA ASN 12 HA ASN 12 -2.997 -21.509 -1.075 67 HB2 ASN 12 HB2 ASN 12 -4.120 -19.025 -0.915 68 HB3 ASN 12 HB3 ASN 12 -4.058 -19.262 -2.659 69 HD21 ASN 12 HD21 ASN 12 -5.798 -20.139 -3.486 70 HD22 ASN 12 HD22 ASN 12 -6.873 -21.231 -2.688 71 HA PRO 13 HA PRO 13 -0.839 -22.329 -4.828 72 HB2 PRO 13 HB2 PRO 13 -2.532 -24.175 -5.875 73 HB3 PRO 13 HB3 PRO 13 -1.453 -24.521 -4.519 74 HG2 PRO 13 HG2 PRO 13 -4.367 -23.838 -4.493 75 HG3 PRO 13 HG3 PRO 13 -3.499 -25.070 -3.559 76 HD2 PRO 13 HD2 PRO 13 -4.202 -22.674 -2.511 77 HD3 PRO 13 HD3 PRO 13 -2.733 -23.540 -2.015 78 H LYS 14 H LYS 14 -4.071 -21.113 -4.728 79 HA LYS 14 HA LYS 14 -4.110 -20.616 -7.611 80 HB2 LYS 14 HB2 LYS 14 -6.264 -19.981 -5.592 81 HB3 LYS 14 HB3 LYS 14 -6.426 -20.038 -7.342 82 HG2 LYS 14 HG2 LYS 14 -6.011 -22.447 -7.303 83 HG3 LYS 14 HG3 LYS 14 -5.855 -22.388 -5.545 84 HD2 LYS 14 HD2 LYS 14 -8.204 -21.369 -5.557 85 HD3 LYS 14 HD3 LYS 14 -8.299 -21.922 -7.231 86 HE2 LYS 14 HE2 LYS 14 -8.221 -24.159 -6.629 87 HE3 LYS 14 HE3 LYS 14 -7.476 -23.816 -5.068 88 HZ1 LYS 14 HZ1 LYS 14 -10.115 -22.686 -5.452 89 HZ2 LYS 14 HZ2 LYS 14 -9.458 -23.470 -4.105 90 HZ3 LYS 14 HZ3 LYS 14 -10.065 -24.377 -5.398 91 H ASN 15 H ASN 15 -3.483 -19.041 -4.628 92 HA ASN 15 HA ASN 15 -3.121 -16.509 -6.060 93 HB2 ASN 15 HB2 ASN 15 -5.317 -16.564 -4.754 94 HB3 ASN 15 HB3 ASN 15 -4.329 -16.590 -3.297 95 HD21 ASN 15 HD21 ASN 15 -4.816 -14.628 -2.493 96 HD22 ASN 15 HD22 ASN 15 -4.466 -13.135 -3.288 97 H ASP 16 H ASP 16 -0.888 -17.003 -6.024 98 HA ASP 16 HA ASP 16 0.484 -17.447 -3.541 99 HB2 ASP 16 HB2 ASP 16 1.511 -18.440 -5.418 100 HB3 ASP 16 HB3 ASP 16 1.386 -16.965 -6.373 101 H LYS 17 H LYS 17 0.685 -15.875 -2.094 102 HA LYS 17 HA LYS 17 1.174 -13.133 -3.051 103 HB2 LYS 17 HB2 LYS 17 -0.240 -14.210 -0.636 104 HB3 LYS 17 HB3 LYS 17 0.454 -12.595 -0.598 105 HG2 LYS 17 HG2 LYS 17 -1.352 -13.370 -2.842 106 HG3 LYS 17 HG3 LYS 17 -2.033 -12.938 -1.272 107 HD2 LYS 17 HD2 LYS 17 -0.485 -10.856 -1.473 108 HD3 LYS 17 HD3 LYS 17 -0.472 -11.255 -3.193 109 HE2 LYS 17 HE2 LYS 17 -3.052 -11.348 -2.926 110 HE3 LYS 17 HE3 LYS 17 -2.763 -10.417 -1.458 111 HZ1 LYS 17 HZ1 LYS 17 -2.618 -8.606 -2.695 112 HZ2 LYS 17 HZ2 LYS 17 -2.848 -9.506 -4.109 113 HZ3 LYS 17 HZ3 LYS 17 -1.284 -9.248 -3.515 114 H CYS 18 H CYS 18 3.186 -15.233 -2.717 115 HA CYS 18 HA CYS 18 4.656 -14.619 -0.322 116 HB2 CYS 18 HB2 CYS 18 5.675 -16.073 -2.765 117 HB3 CYS 18 HB3 CYS 18 6.288 -16.178 -1.118 118 H CYS 19 H CYS 19 6.997 -13.953 -0.496 119 HA CYS 19 HA CYS 19 7.280 -11.803 -2.492 120 HB2 CYS 19 HB2 CYS 19 7.164 -11.539 0.272 121 HB3 CYS 19 HB3 CYS 19 8.886 -11.456 -0.086 122 H ALA 20 H ALA 20 9.826 -11.078 -2.244 123 HA ALA 20 HA ALA 20 11.909 -11.591 -3.015 124 HB1 ALA 20 HB1 ALA 20 13.133 -12.963 -1.650 125 HB2 ALA 20 HB2 ALA 20 11.729 -12.664 -0.624 126 HB3 ALA 20 HB3 ALA 20 11.854 -14.172 -1.530 127 H ASN 21 H ASN 21 9.598 -12.575 -4.547 128 HA ASN 21 HA ASN 21 9.182 -13.821 -6.404 129 HB2 ASN 21 HB2 ASN 21 12.061 -14.662 -6.504 130 HB3 ASN 21 HB3 ASN 21 10.966 -14.291 -7.833 131 HD21 ASN 21 HD21 ASN 21 13.510 -13.184 -6.040 132 HD22 ASN 21 HD22 ASN 21 13.408 -11.502 -6.418 133 H LEU 22 H LEU 22 9.037 -15.036 -3.760 134 HA LEU 22 HA LEU 22 10.038 -17.691 -3.848 135 HB2 LEU 22 HB2 LEU 22 7.955 -16.294 -2.208 136 HB3 LEU 22 HB3 LEU 22 8.206 -18.032 -2.064 137 HG LEU 22 HG LEU 22 10.540 -16.203 -1.738 138 HD11 LEU 22 HD11 LEU 22 8.293 -15.692 -0.294 139 HD12 LEU 22 HD12 LEU 22 9.939 -15.377 0.256 140 HD13 LEU 22 HD13 LEU 22 9.118 -16.862 0.737 141 HD21 LEU 22 HD21 LEU 22 10.488 -18.245 0.166 142 HD22 LEU 22 HD22 LEU 22 11.472 -18.170 -1.296 143 HD23 LEU 22 HD23 LEU 22 9.905 -18.981 -1.327 144 H VAL 23 H VAL 23 8.218 -19.498 -3.429 145 HA VAL 23 HA VAL 23 6.175 -19.267 -5.528 146 HB VAL 23 HB VAL 23 8.007 -20.470 -6.557 147 HG11 VAL 23 HG11 VAL 23 7.878 -22.160 -4.077 148 HG12 VAL 23 HG12 VAL 23 8.626 -22.738 -5.568 149 HG13 VAL 23 HG13 VAL 23 9.263 -21.306 -4.758 150 HG21 VAL 23 HG21 VAL 23 6.737 -22.123 -7.478 151 HG22 VAL 23 HG22 VAL 23 6.159 -22.704 -5.916 152 HG23 VAL 23 HG23 VAL 23 5.467 -21.245 -6.625 153 H CYS 24 H CYS 24 4.270 -20.328 -5.131 154 HA CYS 24 HA CYS 24 3.932 -21.334 -2.408 155 HB2 CYS 24 HB2 CYS 24 2.436 -19.537 -3.515 156 HB3 CYS 24 HB3 CYS 24 1.707 -20.886 -4.381 157 H SER 25 H SER 25 4.609 -23.429 -2.412 158 HA SER 25 HA SER 25 4.206 -25.291 -4.468 159 HB2 SER 25 HB2 SER 25 5.865 -25.819 -2.864 160 HB3 SER 25 HB3 SER 25 4.748 -25.600 -1.517 161 HG SER 25 HG SER 25 5.304 -27.846 -2.344 162 H SER 26 H SER 26 2.411 -26.214 -5.175 163 HA SER 26 HA SER 26 -0.093 -25.876 -3.886 164 HB2 SER 26 HB2 SER 26 -0.531 -27.875 -5.714 165 HB3 SER 26 HB3 SER 26 -0.576 -26.150 -6.077 166 HG SER 26 HG SER 26 1.065 -27.968 -7.061 167 H LYS 27 H LYS 27 2.414 -28.044 -3.352 168 HA LYS 27 HA LYS 27 0.691 -30.190 -2.384 169 HB2 LYS 27 HB2 LYS 27 2.977 -30.411 -3.680 170 HB3 LYS 27 HB3 LYS 27 3.664 -30.215 -2.073 171 HG2 LYS 27 HG2 LYS 27 3.480 -32.547 -2.533 172 HG3 LYS 27 HG3 LYS 27 2.278 -32.131 -1.310 173 HD2 LYS 27 HD2 LYS 27 0.565 -32.687 -2.646 174 HD3 LYS 27 HD3 LYS 27 1.289 -31.901 -4.051 175 HE2 LYS 27 HE2 LYS 27 1.448 -34.037 -4.782 176 HE3 LYS 27 HE3 LYS 27 2.933 -34.003 -3.833 177 HZ1 LYS 27 HZ1 LYS 27 0.938 -35.802 -3.544 178 HZ2 LYS 27 HZ2 LYS 27 0.599 -34.704 -2.303 179 HZ3 LYS 27 HZ3 LYS 27 2.112 -35.458 -2.375 180 H HIS 28 H HIS 28 3.524 -28.483 -1.043 181 HA HIS 28 HA HIS 28 2.767 -29.076 1.647 182 HB2 HIS 28 HB2 HIS 28 5.014 -27.797 0.282 183 HB3 HIS 28 HB3 HIS 28 4.609 -27.023 1.811 184 HD1 HIS 28 HD1 HIS 28 7.011 -29.171 0.805 185 HD2 HIS 28 HD2 HIS 28 4.030 -29.598 3.667 186 HE1 HIS 28 HE1 HIS 28 7.829 -30.967 2.364 187 H LYS 29 H LYS 29 1.925 -26.634 -0.580 188 HA LYS 29 HA LYS 29 0.662 -24.747 -0.438 189 HB2 LYS 29 HB2 LYS 29 -0.226 -25.756 2.261 190 HB3 LYS 29 HB3 LYS 29 -1.113 -24.715 1.155 191 HG2 LYS 29 HG2 LYS 29 -1.181 -26.627 -0.455 192 HG3 LYS 29 HG3 LYS 29 -0.496 -27.640 0.817 193 HD2 LYS 29 HD2 LYS 29 -3.064 -26.077 1.068 194 HD3 LYS 29 HD3 LYS 29 -2.970 -27.789 0.651 195 HE2 LYS 29 HE2 LYS 29 -3.272 -27.971 2.903 196 HE3 LYS 29 HE3 LYS 29 -1.513 -27.870 2.859 197 HZ1 LYS 29 HZ1 LYS 29 -3.219 -26.232 4.253 198 HZ2 LYS 29 HZ2 LYS 29 -2.696 -25.285 2.953 199 HZ3 LYS 29 HZ3 LYS 29 -1.565 -25.984 4.000 200 H TRP 30 H TRP 30 3.073 -24.008 -0.004 201 HA TRP 30 HA TRP 30 2.875 -21.920 1.961 202 HB2 TRP 30 HB2 TRP 30 4.864 -22.527 3.241 203 HB3 TRP 30 HB3 TRP 30 3.649 -23.797 3.360 204 HD1 TRP 30 HD1 TRP 30 4.920 -24.458 0.115 205 HE1 TRP 30 HE1 TRP 30 6.850 -26.161 0.125 206 HE3 TRP 30 HE3 TRP 30 6.130 -24.283 5.079 207 HZ2 TRP 30 HZ2 TRP 30 8.647 -27.283 1.991 208 HZ3 TRP 30 HZ3 TRP 30 7.966 -25.702 5.896 209 HH2 TRP 30 HH2 TRP 30 9.197 -27.170 4.382 210 H CYS 31 H CYS 31 4.945 -20.579 1.973 211 HA CYS 31 HA CYS 31 5.721 -20.157 -0.785 212 HB2 CYS 31 HB2 CYS 31 6.427 -18.622 1.725 213 HB3 CYS 31 HB3 CYS 31 6.822 -18.121 0.084 214 H LYS 32 H LYS 32 7.048 -21.930 -1.236 215 HA LYS 32 HA LYS 32 9.538 -22.137 0.306 216 HB2 LYS 32 HB2 LYS 32 9.829 -24.312 -0.800 217 HB3 LYS 32 HB3 LYS 32 8.295 -24.220 0.055 218 HG2 LYS 32 HG2 LYS 32 7.357 -24.960 -1.815 219 HG3 LYS 32 HG3 LYS 32 7.668 -23.358 -2.490 220 HD2 LYS 32 HD2 LYS 32 8.531 -25.016 -4.003 221 HD3 LYS 32 HD3 LYS 32 9.888 -24.172 -3.254 222 HE2 LYS 32 HE2 LYS 32 9.422 -26.279 -1.539 223 HE3 LYS 32 HE3 LYS 32 9.129 -26.982 -3.129 224 HZ1 LYS 32 HZ1 LYS 32 11.450 -25.409 -3.247 225 HZ2 LYS 32 HZ2 LYS 32 11.300 -27.080 -3.459 226 HZ3 LYS 32 HZ3 LYS 32 11.582 -26.445 -1.916 227 H GLY 33 H GLY 33 11.379 -23.038 -1.300 228 HA2 GLY 33 HA2 GLY 33 11.753 -20.860 -3.213 229 HA3 GLY 33 HA3 GLY 33 13.002 -21.941 -2.613 230 H LYS 34 H LYS 34 11.353 -21.118 -5.297 231 HA LYS 34 HA LYS 34 10.650 -23.582 -6.464 232 HB2 LYS 34 HB2 LYS 34 10.147 -21.124 -7.205 233 HB3 LYS 34 HB3 LYS 34 11.652 -21.279 -8.102 234 HG2 LYS 34 HG2 LYS 34 10.508 -23.503 -8.947 235 HG3 LYS 34 HG3 LYS 34 9.039 -22.620 -8.527 236 HD2 LYS 34 HD2 LYS 34 11.208 -21.462 -10.265 237 HD3 LYS 34 HD3 LYS 34 9.842 -22.372 -10.913 238 HE2 LYS 34 HE2 LYS 34 8.287 -20.772 -9.991 239 HE3 LYS 34 HE3 LYS 34 9.600 -19.906 -9.193 240 HZ1 LYS 34 HZ1 LYS 34 9.258 -20.194 -12.130 241 HZ2 LYS 34 HZ2 LYS 34 10.507 -19.353 -11.360 242 HZ3 LYS 34 HZ3 LYS 34 8.912 -18.803 -11.231 243 H LEU 35 H LEU 35 12.097 -25.203 -6.510 244 HA LEU 35 HA LEU 35 14.890 -24.791 -6.961 245 HB2 LEU 35 HB2 LEU 35 13.709 -26.676 -5.656 246 HB3 LEU 35 HB3 LEU 35 13.491 -27.427 -7.236 247 HG LEU 35 HG LEU 35 16.215 -26.627 -6.269 248 HD11 LEU 35 HD11 LEU 35 15.029 -28.087 -4.579 249 HD12 LEU 35 HD12 LEU 35 16.542 -28.717 -5.229 250 HD13 LEU 35 HD13 LEU 35 15.001 -29.340 -5.820 251 HD21 LEU 35 HD21 LEU 35 16.602 -27.288 -8.376 252 HD22 LEU 35 HD22 LEU 35 15.057 -28.131 -8.503 253 HD23 LEU 35 HD23 LEU 35 16.430 -28.917 -7.722 Start of MODEL 2 1 H1 GLY 1 H GLY 1 1.868 1.332 0.550 2 HA2 GLY 1 HA2 GLY 1 4.019 0.866 -0.428 3 HA3 GLY 1 HA3 GLY 1 3.960 -0.012 1.093 4 H ASN 2 H ASN 2 3.387 -2.273 1.041 5 HA ASN 2 HA ASN 2 3.410 -3.605 -1.536 6 HB2 ASN 2 HB2 ASN 2 5.316 -5.105 -0.784 7 HB3 ASN 2 HB3 ASN 2 5.765 -3.463 -1.236 8 HD21 ASN 2 HD21 ASN 2 7.524 -3.149 -0.018 9 HD22 ASN 2 HD22 ASN 2 7.555 -3.229 1.708 10 H ASP 3 H ASP 3 2.742 -5.788 -1.439 11 HA ASP 3 HA ASP 3 1.846 -6.764 1.177 12 HB2 ASP 3 HB2 ASP 3 0.001 -5.560 -0.188 13 HB3 ASP 3 HB3 ASP 3 0.042 -6.989 -1.217 14 H CYS 4 H CYS 4 2.960 -8.591 1.407 15 HA CYS 4 HA CYS 4 2.536 -10.783 -0.367 16 HB2 CYS 4 HB2 CYS 4 5.034 -11.099 -0.821 17 HB3 CYS 4 HB3 CYS 4 4.203 -9.863 -1.760 18 H LEU 5 H LEU 5 4.157 -12.643 0.303 19 HA LEU 5 HA LEU 5 4.291 -12.612 3.246 20 HB2 LEU 5 HB2 LEU 5 3.965 -14.999 1.436 21 HB3 LEU 5 HB3 LEU 5 3.937 -15.003 3.198 22 HG LEU 5 HG LEU 5 1.902 -13.484 1.594 23 HD11 LEU 5 HD11 LEU 5 1.914 -16.396 2.337 24 HD12 LEU 5 HD12 LEU 5 1.651 -15.670 0.752 25 HD13 LEU 5 HD13 LEU 5 0.430 -15.499 2.012 26 HD21 LEU 5 HD21 LEU 5 2.216 -13.040 4.036 27 HD22 LEU 5 HD22 LEU 5 1.747 -14.712 4.341 28 HD23 LEU 5 HD23 LEU 5 0.603 -13.598 3.591 29 H GLY 6 H GLY 6 5.961 -14.062 4.188 30 HA2 GLY 6 HA2 GLY 6 8.481 -13.631 2.795 31 HA3 GLY 6 HA3 GLY 6 8.286 -14.148 4.464 32 H PHE 7 H PHE 7 9.820 -15.798 4.205 33 HA PHE 7 HA PHE 7 9.327 -17.876 2.241 34 HB2 PHE 7 HB2 PHE 7 11.615 -16.909 3.429 35 HB3 PHE 7 HB3 PHE 7 11.352 -18.423 4.288 36 HD1 PHE 7 HD1 PHE 7 10.822 -20.486 2.752 37 HD2 PHE 7 HD2 PHE 7 12.793 -16.943 1.458 38 HE1 PHE 7 HE1 PHE 7 11.808 -21.727 0.870 39 HE2 PHE 7 HE2 PHE 7 13.781 -18.178 -0.427 40 HZ PHE 7 HZ PHE 7 13.289 -20.572 -0.723 41 H TRP 8 H TRP 8 8.934 -20.066 2.755 42 HA TRP 8 HA TRP 8 7.748 -21.717 3.782 43 HB2 TRP 8 HB2 TRP 8 8.875 -20.649 6.368 44 HB3 TRP 8 HB3 TRP 8 8.456 -22.313 5.969 45 HD1 TRP 8 HD1 TRP 8 11.385 -20.203 6.332 46 HE1 TRP 8 HE1 TRP 8 13.428 -21.204 5.128 47 HE3 TRP 8 HE3 TRP 8 9.000 -23.681 3.442 48 HZ2 TRP 8 HZ2 TRP 8 13.958 -23.203 3.207 49 HZ3 TRP 8 HZ3 TRP 8 10.348 -25.097 1.948 50 HH2 TRP 8 HH2 TRP 8 12.776 -24.861 1.834 51 H SER 9 H SER 9 6.453 -19.110 3.464 52 HA SER 9 HA SER 9 4.690 -18.986 5.797 53 HB2 SER 9 HB2 SER 9 5.792 -16.943 4.521 54 HB3 SER 9 HB3 SER 9 4.392 -17.138 3.467 55 HG SER 9 HG SER 9 4.055 -17.052 6.257 56 H ALA 10 H ALA 10 2.797 -19.986 5.789 57 HA ALA 10 HA ALA 10 1.824 -21.589 3.770 58 HB1 ALA 10 HB1 ALA 10 -0.215 -20.330 5.497 59 HB2 ALA 10 HB2 ALA 10 0.094 -22.033 5.155 60 HB3 ALA 10 HB3 ALA 10 1.102 -21.170 6.316 61 H CYS 11 H CYS 11 0.496 -21.346 2.041 62 HA CYS 11 HA CYS 11 -0.923 -18.860 1.593 63 HB2 CYS 11 HB2 CYS 11 0.126 -18.578 -0.682 64 HB3 CYS 11 HB3 CYS 11 1.187 -18.212 0.675 65 H ASN 12 H ASN 12 -1.753 -19.054 -0.909 66 HA ASN 12 HA ASN 12 -3.060 -21.688 -1.011 67 HB2 ASN 12 HB2 ASN 12 -4.232 -19.225 -0.911 68 HB3 ASN 12 HB3 ASN 12 -4.186 -19.511 -2.648 69 HD21 ASN 12 HD21 ASN 12 -5.907 -20.463 -3.433 70 HD22 ASN 12 HD22 ASN 12 -6.954 -21.546 -2.587 71 HA PRO 13 HA PRO 13 -0.935 -22.580 -4.768 72 HB2 PRO 13 HB2 PRO 13 -2.602 -24.494 -5.731 73 HB3 PRO 13 HB3 PRO 13 -1.497 -24.775 -4.381 74 HG2 PRO 13 HG2 PRO 13 -4.425 -24.153 -4.334 75 HG3 PRO 13 HG3 PRO 13 -3.516 -25.336 -3.375 76 HD2 PRO 13 HD2 PRO 13 -4.257 -22.924 -2.392 77 HD3 PRO 13 HD3 PRO 13 -2.763 -23.742 -1.890 78 H LYS 14 H LYS 14 -4.203 -21.452 -4.664 79 HA LYS 14 HA LYS 14 -4.287 -21.040 -7.558 80 HB2 LYS 14 HB2 LYS 14 -6.439 -20.352 -5.559 81 HB3 LYS 14 HB3 LYS 14 -6.609 -20.554 -7.298 82 HG2 LYS 14 HG2 LYS 14 -6.152 -22.933 -7.084 83 HG3 LYS 14 HG3 LYS 14 -5.935 -22.743 -5.343 84 HD2 LYS 14 HD2 LYS 14 -8.364 -21.639 -5.608 85 HD3 LYS 14 HD3 LYS 14 -8.412 -22.770 -6.962 86 HE2 LYS 14 HE2 LYS 14 -7.494 -23.695 -4.271 87 HE3 LYS 14 HE3 LYS 14 -9.218 -23.525 -4.601 88 HZ1 LYS 14 HZ1 LYS 14 -8.646 -24.920 -6.685 89 HZ2 LYS 14 HZ2 LYS 14 -8.820 -25.694 -5.192 90 HZ3 LYS 14 HZ3 LYS 14 -7.275 -25.376 -5.804 91 H ASN 15 H ASN 15 -3.580 -19.371 -4.665 92 HA ASN 15 HA ASN 15 -3.321 -16.876 -6.170 93 HB2 ASN 15 HB2 ASN 15 -5.501 -16.934 -4.835 94 HB3 ASN 15 HB3 ASN 15 -4.493 -16.884 -3.391 95 HD21 ASN 15 HD21 ASN 15 -4.790 -14.914 -2.601 96 HD22 ASN 15 HD22 ASN 15 -4.571 -13.440 -3.476 97 H ASP 16 H ASP 16 -1.083 -17.243 -6.152 98 HA ASP 16 HA ASP 16 0.330 -17.608 -3.671 99 HB2 ASP 16 HB2 ASP 16 1.353 -18.629 -5.539 100 HB3 ASP 16 HB3 ASP 16 1.193 -17.177 -6.524 101 H LYS 17 H LYS 17 0.505 -15.989 -2.273 102 HA LYS 17 HA LYS 17 0.916 -13.265 -3.315 103 HB2 LYS 17 HB2 LYS 17 -0.413 -14.289 -0.822 104 HB3 LYS 17 HB3 LYS 17 0.187 -12.638 -0.908 105 HG2 LYS 17 HG2 LYS 17 -1.725 -13.775 -2.926 106 HG3 LYS 17 HG3 LYS 17 -2.254 -12.975 -1.444 107 HD2 LYS 17 HD2 LYS 17 -0.306 -11.610 -3.255 108 HD3 LYS 17 HD3 LYS 17 -2.025 -11.612 -3.659 109 HE2 LYS 17 HE2 LYS 17 -1.892 -9.687 -2.424 110 HE3 LYS 17 HE3 LYS 17 -2.281 -10.850 -1.157 111 HZ1 LYS 17 HZ1 LYS 17 0.533 -10.265 -1.790 112 HZ2 LYS 17 HZ2 LYS 17 -0.147 -10.803 -0.338 113 HZ3 LYS 17 HZ3 LYS 17 -0.346 -9.194 -0.819 114 H CYS 18 H CYS 18 2.979 -15.311 -2.931 115 HA CYS 18 HA CYS 18 4.455 -14.595 -0.571 116 HB2 CYS 18 HB2 CYS 18 5.494 -16.075 -2.990 117 HB3 CYS 18 HB3 CYS 18 6.123 -16.127 -1.346 118 H CYS 19 H CYS 19 6.805 -13.910 -0.821 119 HA CYS 19 HA CYS 19 7.001 -11.784 -2.854 120 HB2 CYS 19 HB2 CYS 19 6.903 -11.454 -0.099 121 HB3 CYS 19 HB3 CYS 19 8.621 -11.346 -0.470 122 H ALA 20 H ALA 20 9.525 -10.992 -2.669 123 HA ALA 20 HA ALA 20 11.612 -11.472 -3.450 124 HB1 ALA 20 HB1 ALA 20 11.250 -13.754 -1.516 125 HB2 ALA 20 HB2 ALA 20 12.784 -13.329 -2.275 126 HB3 ALA 20 HB3 ALA 20 11.988 -12.185 -1.194 127 H ASN 21 H ASN 21 9.301 -12.567 -4.915 128 HA ASN 21 HA ASN 21 8.900 -13.868 -6.737 129 HB2 ASN 21 HB2 ASN 21 11.812 -14.615 -6.816 130 HB3 ASN 21 HB3 ASN 21 10.694 -14.386 -8.158 131 HD21 ASN 21 HD21 ASN 21 13.229 -13.064 -6.562 132 HD22 ASN 21 HD22 ASN 21 13.025 -11.408 -7.008 133 H LEU 22 H LEU 22 8.815 -15.007 -4.053 134 HA LEU 22 HA LEU 22 9.866 -17.644 -4.081 135 HB2 LEU 22 HB2 LEU 22 7.781 -16.240 -2.450 136 HB3 LEU 22 HB3 LEU 22 8.065 -17.969 -2.260 137 HG LEU 22 HG LEU 22 10.369 -16.086 -2.020 138 HD11 LEU 22 HD11 LEU 22 8.235 -15.424 -0.604 139 HD12 LEU 22 HD12 LEU 22 9.860 -15.356 0.076 140 HD13 LEU 22 HD13 LEU 22 8.816 -16.732 0.426 141 HD21 LEU 22 HD21 LEU 22 10.386 -18.079 -0.063 142 HD22 LEU 22 HD22 LEU 22 11.347 -18.022 -1.540 143 HD23 LEU 22 HD23 LEU 22 9.797 -18.865 -1.528 144 H VAL 23 H VAL 23 8.098 -19.478 -3.592 145 HA VAL 23 HA VAL 23 6.018 -19.345 -5.664 146 HB VAL 23 HB VAL 23 7.872 -20.543 -6.673 147 HG11 VAL 23 HG11 VAL 23 8.500 -22.791 -5.627 148 HG12 VAL 23 HG12 VAL 23 9.149 -21.332 -4.874 149 HG13 VAL 23 HG13 VAL 23 7.773 -22.164 -4.148 150 HG21 VAL 23 HG21 VAL 23 5.932 -22.689 -5.909 151 HG22 VAL 23 HG22 VAL 23 5.400 -21.303 -6.861 152 HG23 VAL 23 HG23 VAL 23 6.673 -22.358 -7.476 153 H CYS 24 H CYS 24 4.149 -20.470 -5.229 154 HA CYS 24 HA CYS 24 3.861 -21.385 -2.466 155 HB2 CYS 24 HB2 CYS 24 2.312 -19.658 -3.615 156 HB3 CYS 24 HB3 CYS 24 1.603 -21.052 -4.424 157 H SER 25 H SER 25 4.594 -23.463 -2.420 158 HA SER 25 HA SER 25 4.208 -25.395 -4.412 159 HB2 SER 25 HB2 SER 25 5.899 -25.832 -2.812 160 HB3 SER 25 HB3 SER 25 4.790 -25.604 -1.460 161 HG SER 25 HG SER 25 5.263 -27.829 -1.941 162 H SER 26 H SER 26 2.428 -26.382 -5.067 163 HA SER 26 HA SER 26 -0.068 -26.064 -3.758 164 HB2 SER 26 HB2 SER 26 -0.488 -28.123 -5.517 165 HB3 SER 26 HB3 SER 26 -0.563 -26.412 -5.937 166 HG SER 26 HG SER 26 0.952 -28.076 -7.082 167 H LYS 27 H LYS 27 2.496 -28.154 -3.189 168 HA LYS 27 HA LYS 27 0.837 -30.310 -2.135 169 HB2 LYS 27 HB2 LYS 27 3.688 -29.987 -2.859 170 HB3 LYS 27 HB3 LYS 27 3.359 -31.043 -1.491 171 HG2 LYS 27 HG2 LYS 27 1.877 -31.375 -4.069 172 HG3 LYS 27 HG3 LYS 27 3.490 -32.060 -3.851 173 HD2 LYS 27 HD2 LYS 27 1.306 -32.559 -1.855 174 HD3 LYS 27 HD3 LYS 27 1.449 -33.537 -3.318 175 HE2 LYS 27 HE2 LYS 27 3.917 -33.823 -2.590 176 HE3 LYS 27 HE3 LYS 27 3.343 -33.292 -1.010 177 HZ1 LYS 27 HZ1 LYS 27 1.581 -35.243 -1.928 178 HZ2 LYS 27 HZ2 LYS 27 2.663 -35.349 -0.632 179 HZ3 LYS 27 HZ3 LYS 27 3.144 -35.840 -2.178 180 H HIS 28 H HIS 28 3.644 -28.495 -0.882 181 HA HIS 28 HA HIS 28 2.932 -29.023 1.834 182 HB2 HIS 28 HB2 HIS 28 5.133 -27.738 0.404 183 HB3 HIS 28 HB3 HIS 28 4.728 -26.923 1.911 184 HD1 HIS 28 HD1 HIS 28 4.817 -28.467 4.103 185 HD2 HIS 28 HD2 HIS 28 6.588 -30.034 0.688 186 HE1 HIS 28 HE1 HIS 28 6.288 -30.340 4.908 187 H LYS 29 H LYS 29 2.008 -26.671 -0.456 188 HA LYS 29 HA LYS 29 0.705 -24.809 -0.358 189 HB2 LYS 29 HB2 LYS 29 -0.128 -25.776 2.377 190 HB3 LYS 29 HB3 LYS 29 -1.045 -24.760 1.273 191 HG2 LYS 29 HG2 LYS 29 -1.036 -26.731 -0.321 192 HG3 LYS 29 HG3 LYS 29 -0.442 -27.691 1.035 193 HD2 LYS 29 HD2 LYS 29 -2.412 -27.432 2.242 194 HD3 LYS 29 HD3 LYS 29 -2.897 -26.001 1.329 195 HE2 LYS 29 HE2 LYS 29 -3.576 -27.263 -0.513 196 HE3 LYS 29 HE3 LYS 29 -2.654 -28.676 -0.002 197 HZ1 LYS 29 HZ1 LYS 29 -5.330 -28.135 0.486 198 HZ2 LYS 29 HZ2 LYS 29 -4.547 -28.005 1.979 199 HZ3 LYS 29 HZ3 LYS 29 -4.416 -29.430 1.078 200 H TRP 30 H TRP 30 3.102 -24.001 0.026 201 HA TRP 30 HA TRP 30 2.878 -21.861 1.931 202 HB2 TRP 30 HB2 TRP 30 4.895 -22.383 3.204 203 HB3 TRP 30 HB3 TRP 30 3.711 -23.676 3.375 204 HD1 TRP 30 HD1 TRP 30 4.959 -24.405 0.135 205 HE1 TRP 30 HE1 TRP 30 6.928 -26.063 0.173 206 HE3 TRP 30 HE3 TRP 30 6.222 -24.054 5.077 207 HZ2 TRP 30 HZ2 TRP 30 8.771 -27.087 2.049 208 HZ3 TRP 30 HZ3 TRP 30 8.100 -25.407 5.913 209 HH2 TRP 30 HH2 TRP 30 9.346 -26.891 4.429 210 H CYS 31 H CYS 31 4.916 -20.473 1.878 211 HA CYS 31 HA CYS 31 5.649 -20.114 -0.901 212 HB2 CYS 31 HB2 CYS 31 6.350 -18.491 1.555 213 HB3 CYS 31 HB3 CYS 31 6.713 -18.029 -0.105 214 H LYS 32 H LYS 32 7.010 -21.869 -1.316 215 HA LYS 32 HA LYS 32 9.523 -21.974 0.198 216 HB2 LYS 32 HB2 LYS 32 9.851 -24.174 -0.850 217 HB3 LYS 32 HB3 LYS 32 8.329 -24.092 0.028 218 HG2 LYS 32 HG2 LYS 32 7.388 -24.918 -1.806 219 HG3 LYS 32 HG3 LYS 32 7.629 -23.323 -2.523 220 HD2 LYS 32 HD2 LYS 32 8.525 -24.960 -4.025 221 HD3 LYS 32 HD3 LYS 32 9.875 -24.087 -3.295 222 HE2 LYS 32 HE2 LYS 32 10.681 -26.162 -2.941 223 HE3 LYS 32 HE3 LYS 32 9.610 -26.118 -1.541 224 HZ1 LYS 32 HZ1 LYS 32 8.247 -27.633 -2.434 225 HZ2 LYS 32 HZ2 LYS 32 9.566 -28.027 -3.417 226 HZ3 LYS 32 HZ3 LYS 32 8.360 -26.992 -3.996 227 H GLY 33 H GLY 33 11.365 -22.879 -1.402 228 HA2 GLY 33 HA2 GLY 33 11.665 -20.753 -3.385 229 HA3 GLY 33 HA3 GLY 33 12.946 -21.786 -2.769 230 H LYS 34 H LYS 34 11.227 -21.086 -5.450 231 HA LYS 34 HA LYS 34 10.651 -23.653 -6.512 232 HB2 LYS 34 HB2 LYS 34 9.814 -21.315 -7.270 233 HB3 LYS 34 HB3 LYS 34 11.299 -21.262 -8.212 234 HG2 LYS 34 HG2 LYS 34 10.614 -22.904 -9.647 235 HG3 LYS 34 HG3 LYS 34 9.546 -23.652 -8.457 236 HD2 LYS 34 HD2 LYS 34 8.091 -22.658 -9.998 237 HD3 LYS 34 HD3 LYS 34 8.143 -21.517 -8.653 238 HE2 LYS 34 HE2 LYS 34 9.884 -20.240 -9.897 239 HE3 LYS 34 HE3 LYS 34 9.640 -21.325 -11.264 240 HZ1 LYS 34 HZ1 LYS 34 7.927 -19.194 -10.254 241 HZ2 LYS 34 HZ2 LYS 34 7.148 -20.575 -10.844 242 HZ3 LYS 34 HZ3 LYS 34 8.198 -19.704 -11.845 243 H LEU 35 H LEU 35 12.102 -25.163 -6.970 244 HA LEU 35 HA LEU 35 14.822 -24.367 -7.710 245 HB2 LEU 35 HB2 LEU 35 13.715 -27.061 -6.930 246 HB3 LEU 35 HB3 LEU 35 15.408 -26.711 -7.276 247 HG LEU 35 HG LEU 35 13.867 -25.447 -5.014 248 HD11 LEU 35 HD11 LEU 35 14.125 -27.287 -3.809 249 HD12 LEU 35 HD12 LEU 35 15.855 -27.300 -4.147 250 HD13 LEU 35 HD13 LEU 35 14.737 -28.120 -5.238 251 HD21 LEU 35 HD21 LEU 35 16.122 -24.919 -4.183 252 HD22 LEU 35 HD22 LEU 35 15.789 -24.165 -5.742 253 HD23 LEU 35 HD23 LEU 35 16.810 -25.601 -5.657 Start of MODEL 3 1 H1 GLY 1 H GLY 1 1.811 -0.001 0.854 2 HA2 GLY 1 HA2 GLY 1 1.507 0.545 -1.989 3 HA3 GLY 1 HA3 GLY 1 3.016 0.501 -1.091 4 H ASN 2 H ASN 2 3.028 -1.967 0.026 5 HA ASN 2 HA ASN 2 2.710 -3.824 -2.234 6 HB2 ASN 2 HB2 ASN 2 5.159 -3.192 -0.656 7 HB3 ASN 2 HB3 ASN 2 4.905 -4.866 -1.141 8 HD21 ASN 2 HD21 ASN 2 5.971 -5.345 -2.906 9 HD22 ASN 2 HD22 ASN 2 6.221 -4.307 -4.265 10 H ASP 3 H ASP 3 2.571 -6.075 -1.628 11 HA ASP 3 HA ASP 3 2.163 -6.718 1.166 12 HB2 ASP 3 HB2 ASP 3 -0.031 -5.769 0.124 13 HB3 ASP 3 HB3 ASP 3 -0.122 -7.333 -0.680 14 H CYS 4 H CYS 4 3.213 -8.562 1.431 15 HA CYS 4 HA CYS 4 2.695 -10.823 -0.280 16 HB2 CYS 4 HB2 CYS 4 5.195 -11.180 -0.672 17 HB3 CYS 4 HB3 CYS 4 4.410 -9.939 -1.642 18 H LEU 5 H LEU 5 4.289 -12.689 0.454 19 HA LEU 5 HA LEU 5 4.356 -12.616 3.399 20 HB2 LEU 5 HB2 LEU 5 4.037 -15.045 1.647 21 HB3 LEU 5 HB3 LEU 5 3.919 -14.980 3.405 22 HG LEU 5 HG LEU 5 2.005 -13.475 1.645 23 HD11 LEU 5 HD11 LEU 5 1.220 -15.411 0.879 24 HD12 LEU 5 HD12 LEU 5 0.675 -15.730 2.525 25 HD13 LEU 5 HD13 LEU 5 2.233 -16.348 1.977 26 HD21 LEU 5 HD21 LEU 5 2.180 -12.942 4.070 27 HD22 LEU 5 HD22 LEU 5 1.709 -14.604 4.425 28 HD23 LEU 5 HD23 LEU 5 0.592 -13.531 3.580 29 H GLY 6 H GLY 6 5.997 -14.003 4.419 30 HA2 GLY 6 HA2 GLY 6 8.544 -13.663 3.074 31 HA3 GLY 6 HA3 GLY 6 8.299 -14.184 4.735 32 H PHE 7 H PHE 7 9.683 -15.924 4.651 33 HA PHE 7 HA PHE 7 9.239 -17.969 2.619 34 HB2 PHE 7 HB2 PHE 7 11.523 -17.049 3.852 35 HB3 PHE 7 HB3 PHE 7 11.210 -18.556 4.706 36 HD1 PHE 7 HD1 PHE 7 10.687 -20.616 3.178 37 HD2 PHE 7 HD2 PHE 7 12.718 -17.105 1.888 38 HE1 PHE 7 HE1 PHE 7 11.683 -21.880 1.317 39 HE2 PHE 7 HE2 PHE 7 13.716 -18.363 0.024 40 HZ PHE 7 HZ PHE 7 13.199 -20.753 -0.264 41 H TRP 8 H TRP 8 8.809 -20.157 3.142 42 HA TRP 8 HA TRP 8 7.583 -21.786 4.156 43 HB2 TRP 8 HB2 TRP 8 8.620 -20.684 6.765 44 HB3 TRP 8 HB3 TRP 8 8.205 -22.351 6.377 45 HD1 TRP 8 HD1 TRP 8 11.133 -20.262 6.826 46 HE1 TRP 8 HE1 TRP 8 13.213 -21.292 5.713 47 HE3 TRP 8 HE3 TRP 8 8.833 -23.751 3.881 48 HZ2 TRP 8 HZ2 TRP 8 13.801 -23.315 3.834 49 HZ3 TRP 8 HZ3 TRP 8 10.226 -25.194 2.455 50 HH2 TRP 8 HH2 TRP 8 12.658 -24.978 2.433 51 H SER 9 H SER 9 6.352 -19.132 3.780 52 HA SER 9 HA SER 9 4.487 -18.986 6.029 53 HB2 SER 9 HB2 SER 9 5.678 -16.970 4.754 54 HB3 SER 9 HB3 SER 9 4.272 -17.135 3.702 55 HG SER 9 HG SER 9 4.291 -15.772 5.831 56 H ALA 10 H ALA 10 2.587 -19.968 5.941 57 HA ALA 10 HA ALA 10 1.677 -21.555 3.880 58 HB1 ALA 10 HB1 ALA 10 0.615 -20.554 6.378 59 HB2 ALA 10 HB2 ALA 10 -0.644 -20.724 5.153 60 HB3 ALA 10 HB3 ALA 10 0.359 -22.109 5.584 61 H CYS 11 H CYS 11 0.417 -21.294 2.102 62 HA CYS 11 HA CYS 11 -0.939 -18.781 1.601 63 HB2 CYS 11 HB2 CYS 11 0.192 -18.527 -0.636 64 HB3 CYS 11 HB3 CYS 11 1.216 -18.184 0.755 65 H ASN 12 H ASN 12 -1.679 -18.972 -0.933 66 HA ASN 12 HA ASN 12 -3.030 -21.582 -1.075 67 HB2 ASN 12 HB2 ASN 12 -4.170 -19.102 -0.999 68 HB3 ASN 12 HB3 ASN 12 -4.079 -19.385 -2.735 69 HD21 ASN 12 HD21 ASN 12 -5.827 -20.258 -3.549 70 HD22 ASN 12 HD22 ASN 12 -6.898 -21.348 -2.744 71 HA PRO 13 HA PRO 13 -0.811 -22.490 -4.773 72 HB2 PRO 13 HB2 PRO 13 -2.477 -24.377 -5.792 73 HB3 PRO 13 HB3 PRO 13 -1.414 -24.678 -4.412 74 HG2 PRO 13 HG2 PRO 13 -4.333 -24.016 -4.446 75 HG3 PRO 13 HG3 PRO 13 -3.469 -25.215 -3.466 76 HD2 PRO 13 HD2 PRO 13 -4.204 -22.796 -2.495 77 HD3 PRO 13 HD3 PRO 13 -2.737 -23.637 -1.954 78 H LYS 14 H LYS 14 -4.071 -21.328 -4.762 79 HA LYS 14 HA LYS 14 -4.072 -20.907 -7.654 80 HB2 LYS 14 HB2 LYS 14 -6.254 -20.189 -5.696 81 HB3 LYS 14 HB3 LYS 14 -6.391 -20.357 -7.442 82 HG2 LYS 14 HG2 LYS 14 -5.812 -22.785 -7.148 83 HG3 LYS 14 HG3 LYS 14 -5.984 -22.533 -5.409 84 HD2 LYS 14 HD2 LYS 14 -8.194 -21.642 -7.193 85 HD3 LYS 14 HD3 LYS 14 -8.004 -23.371 -6.895 86 HE2 LYS 14 HE2 LYS 14 -7.944 -22.778 -4.423 87 HE3 LYS 14 HE3 LYS 14 -8.507 -21.177 -4.901 88 HZ1 LYS 14 HZ1 LYS 14 -10.116 -23.108 -6.145 89 HZ2 LYS 14 HZ2 LYS 14 -10.561 -21.956 -4.990 90 HZ3 LYS 14 HZ3 LYS 14 -10.025 -23.482 -4.498 91 H ASN 15 H ASN 15 -3.438 -19.241 -4.733 92 HA ASN 15 HA ASN 15 -3.076 -16.756 -6.238 93 HB2 ASN 15 HB2 ASN 15 -5.294 -16.772 -4.964 94 HB3 ASN 15 HB3 ASN 15 -4.326 -16.736 -3.493 95 HD21 ASN 15 HD21 ASN 15 -6.179 -14.811 -5.004 96 HD22 ASN 15 HD22 ASN 15 -5.300 -13.324 -4.990 97 H ASP 16 H ASP 16 -0.845 -17.250 -6.148 98 HA ASP 16 HA ASP 16 0.490 -17.615 -3.634 99 HB2 ASP 16 HB2 ASP 16 1.549 -18.647 -5.474 100 HB3 ASP 16 HB3 ASP 16 1.437 -17.193 -6.461 101 H LYS 17 H LYS 17 0.659 -16.008 -2.223 102 HA LYS 17 HA LYS 17 1.143 -13.285 -3.237 103 HB2 LYS 17 HB2 LYS 17 -0.147 -14.248 -0.684 104 HB3 LYS 17 HB3 LYS 17 0.323 -12.574 -0.947 105 HG2 LYS 17 HG2 LYS 17 -1.465 -13.963 -2.898 106 HG3 LYS 17 HG3 LYS 17 -2.115 -13.294 -1.399 107 HD2 LYS 17 HD2 LYS 17 -0.361 -11.589 -3.106 108 HD3 LYS 17 HD3 LYS 17 -2.037 -11.853 -3.594 109 HE2 LYS 17 HE2 LYS 17 -1.339 -10.980 -0.811 110 HE3 LYS 17 HE3 LYS 17 -1.497 -9.813 -2.123 111 HZ1 LYS 17 HZ1 LYS 17 -3.664 -11.739 -1.763 112 HZ2 LYS 17 HZ2 LYS 17 -3.725 -10.122 -2.255 113 HZ3 LYS 17 HZ3 LYS 17 -3.530 -10.500 -0.618 114 H CYS 18 H CYS 18 3.139 -15.417 -2.779 115 HA CYS 18 HA CYS 18 4.588 -14.725 -0.404 116 HB2 CYS 18 HB2 CYS 18 5.646 -16.213 -2.809 117 HB3 CYS 18 HB3 CYS 18 6.243 -16.284 -1.154 118 H CYS 19 H CYS 19 6.930 -14.050 -0.565 119 HA CYS 19 HA CYS 19 7.236 -11.950 -2.610 120 HB2 CYS 19 HB2 CYS 19 7.005 -11.574 0.125 121 HB3 CYS 19 HB3 CYS 19 8.743 -11.505 -0.150 122 H ALA 20 H ALA 20 9.750 -11.178 -2.344 123 HA ALA 20 HA ALA 20 11.866 -11.687 -3.022 124 HB1 ALA 20 HB1 ALA 20 11.423 -13.949 -1.079 125 HB2 ALA 20 HB2 ALA 20 12.988 -13.495 -1.754 126 HB3 ALA 20 HB3 ALA 20 12.110 -12.364 -0.724 127 H ASN 21 H ASN 21 9.615 -12.793 -4.566 128 HA ASN 21 HA ASN 21 9.293 -14.118 -6.386 129 HB2 ASN 21 HB2 ASN 21 12.171 -14.966 -6.315 130 HB3 ASN 21 HB3 ASN 21 11.137 -14.660 -7.708 131 HD21 ASN 21 HD21 ASN 21 13.789 -13.584 -6.477 132 HD22 ASN 21 HD22 ASN 21 13.639 -11.878 -6.704 133 H LEU 22 H LEU 22 9.036 -15.194 -3.687 134 HA LEU 22 HA LEU 22 10.028 -17.852 -3.600 135 HB2 LEU 22 HB2 LEU 22 8.007 -16.277 -2.086 136 HB3 LEU 22 HB3 LEU 22 7.995 -18.032 -1.925 137 HG LEU 22 HG LEU 22 10.585 -16.644 -1.515 138 HD11 LEU 22 HD11 LEU 22 8.172 -16.094 0.051 139 HD12 LEU 22 HD12 LEU 22 9.691 -15.204 -0.051 140 HD13 LEU 22 HD13 LEU 22 9.563 -16.612 1.003 141 HD21 LEU 22 HD21 LEU 22 10.234 -18.417 0.501 142 HD22 LEU 22 HD22 LEU 22 10.947 -18.815 -1.062 143 HD23 LEU 22 HD23 LEU 22 9.241 -19.145 -0.761 144 H VAL 23 H VAL 23 8.250 -19.665 -3.213 145 HA VAL 23 HA VAL 23 6.268 -19.526 -5.381 146 HB VAL 23 HB VAL 23 8.127 -20.770 -6.291 147 HG11 VAL 23 HG11 VAL 23 7.948 -22.329 -3.730 148 HG12 VAL 23 HG12 VAL 23 8.749 -22.970 -5.166 149 HG13 VAL 23 HG13 VAL 23 9.340 -21.489 -4.411 150 HG21 VAL 23 HG21 VAL 23 5.582 -21.596 -6.335 151 HG22 VAL 23 HG22 VAL 23 6.879 -22.440 -7.180 152 HG23 VAL 23 HG23 VAL 23 6.331 -23.017 -5.607 153 H CYS 24 H CYS 24 4.345 -20.545 -4.997 154 HA CYS 24 HA CYS 24 3.905 -21.438 -2.250 155 HB2 CYS 24 HB2 CYS 24 2.455 -19.694 -3.511 156 HB3 CYS 24 HB3 CYS 24 1.748 -21.091 -4.315 157 H SER 25 H SER 25 4.624 -23.528 -2.172 158 HA SER 25 HA SER 25 4.269 -25.477 -4.149 159 HB2 SER 25 HB2 SER 25 5.892 -25.889 -2.454 160 HB3 SER 25 HB3 SER 25 4.702 -25.692 -1.168 161 HG SER 25 HG SER 25 5.406 -27.930 -2.062 162 H SER 26 H SER 26 2.497 -26.441 -4.859 163 HA SER 26 HA SER 26 -0.041 -26.058 -3.651 164 HB2 SER 26 HB2 SER 26 0.344 -26.400 -6.104 165 HB3 SER 26 HB3 SER 26 0.699 -28.094 -5.765 166 HG SER 26 HG SER 26 -1.512 -27.662 -6.380 167 H LYS 27 H LYS 27 2.460 -28.192 -2.961 168 HA LYS 27 HA LYS 27 0.718 -30.298 -1.939 169 HB2 LYS 27 HB2 LYS 27 3.624 -30.034 -2.505 170 HB3 LYS 27 HB3 LYS 27 3.160 -31.124 -1.205 171 HG2 LYS 27 HG2 LYS 27 3.086 -32.606 -2.902 172 HG3 LYS 27 HG3 LYS 27 1.453 -31.960 -3.077 173 HD2 LYS 27 HD2 LYS 27 2.266 -31.864 -5.246 174 HD3 LYS 27 HD3 LYS 27 2.575 -30.231 -4.651 175 HE2 LYS 27 HE2 LYS 27 4.877 -31.336 -3.936 176 HE3 LYS 27 HE3 LYS 27 4.476 -32.435 -5.254 177 HZ1 LYS 27 HZ1 LYS 27 5.645 -30.796 -6.328 178 HZ2 LYS 27 HZ2 LYS 27 5.043 -29.552 -5.353 179 HZ3 LYS 27 HZ3 LYS 27 4.060 -30.245 -6.542 180 H HIS 28 H HIS 28 3.517 -28.525 -0.610 181 HA HIS 28 HA HIS 28 2.701 -29.001 2.086 182 HB2 HIS 28 HB2 HIS 28 4.971 -27.764 0.716 183 HB3 HIS 28 HB3 HIS 28 4.530 -26.936 2.206 184 HD1 HIS 28 HD1 HIS 28 5.799 -30.227 0.929 185 HD2 HIS 28 HD2 HIS 28 5.098 -28.316 4.551 186 HE1 HIS 28 HE1 HIS 28 6.889 -31.673 2.674 187 H LYS 29 H LYS 29 1.899 -26.664 -0.265 188 HA LYS 29 HA LYS 29 0.630 -24.776 -0.235 189 HB2 LYS 29 HB2 LYS 29 -0.322 -25.704 2.474 190 HB3 LYS 29 HB3 LYS 29 -1.178 -24.676 1.331 191 HG2 LYS 29 HG2 LYS 29 -1.217 -26.622 -0.247 192 HG3 LYS 29 HG3 LYS 29 -0.585 -27.613 1.070 193 HD2 LYS 29 HD2 LYS 29 -3.073 -25.961 1.393 194 HD3 LYS 29 HD3 LYS 29 -3.122 -27.586 0.704 195 HE2 LYS 29 HE2 LYS 29 -1.696 -27.157 3.285 196 HE3 LYS 29 HE3 LYS 29 -3.459 -27.188 3.284 197 HZ1 LYS 29 HZ1 LYS 29 -1.728 -29.355 3.276 198 HZ2 LYS 29 HZ2 LYS 29 -2.468 -29.341 1.755 199 HZ3 LYS 29 HZ3 LYS 29 -3.415 -29.384 3.156 200 H TRP 30 H TRP 30 3.025 -24.007 0.232 201 HA TRP 30 HA TRP 30 2.768 -21.842 2.104 202 HB2 TRP 30 HB2 TRP 30 4.722 -22.386 3.461 203 HB3 TRP 30 HB3 TRP 30 3.512 -23.659 3.597 204 HD1 TRP 30 HD1 TRP 30 4.870 -24.444 0.417 205 HE1 TRP 30 HE1 TRP 30 6.810 -26.130 0.547 206 HE3 TRP 30 HE3 TRP 30 5.955 -24.051 5.398 207 HZ2 TRP 30 HZ2 TRP 30 8.568 -27.157 2.502 208 HZ3 TRP 30 HZ3 TRP 30 7.780 -25.420 6.319 209 HH2 TRP 30 HH2 TRP 30 9.058 -26.941 4.899 210 H CYS 31 H CYS 31 4.831 -20.491 2.115 211 HA CYS 31 HA CYS 31 5.677 -20.178 -0.637 212 HB2 CYS 31 HB2 CYS 31 6.315 -18.538 1.826 213 HB3 CYS 31 HB3 CYS 31 6.745 -18.102 0.175 214 H LYS 32 H LYS 32 7.024 -21.957 -0.983 215 HA LYS 32 HA LYS 32 9.473 -22.092 0.632 216 HB2 LYS 32 HB2 LYS 32 9.804 -24.306 -0.395 217 HB3 LYS 32 HB3 LYS 32 8.259 -24.192 0.437 218 HG2 LYS 32 HG2 LYS 32 7.396 -25.056 -1.425 219 HG3 LYS 32 HG3 LYS 32 7.600 -23.442 -2.108 220 HD2 LYS 32 HD2 LYS 32 8.559 -25.033 -3.626 221 HD3 LYS 32 HD3 LYS 32 9.872 -24.124 -2.872 222 HE2 LYS 32 HE2 LYS 32 10.433 -25.928 -1.454 223 HE3 LYS 32 HE3 LYS 32 8.933 -26.780 -1.819 224 HZ1 LYS 32 HZ1 LYS 32 9.962 -26.624 -4.244 225 HZ2 LYS 32 HZ2 LYS 32 10.306 -27.904 -3.193 226 HZ3 LYS 32 HZ3 LYS 32 11.402 -26.625 -3.356 227 H GLY 33 H GLY 33 11.320 -23.117 -0.950 228 HA2 GLY 33 HA2 GLY 33 11.779 -20.975 -2.887 229 HA3 GLY 33 HA3 GLY 33 12.991 -22.079 -2.255 230 H LYS 34 H LYS 34 11.507 -21.241 -4.991 231 HA LYS 34 HA LYS 34 10.700 -23.696 -6.133 232 HB2 LYS 34 HB2 LYS 34 10.309 -21.243 -6.930 233 HB3 LYS 34 HB3 LYS 34 11.842 -21.453 -7.766 234 HG2 LYS 34 HG2 LYS 34 10.867 -23.479 -8.863 235 HG3 LYS 34 HG3 LYS 34 9.313 -23.033 -8.155 236 HD2 LYS 34 HD2 LYS 34 10.820 -20.989 -9.715 237 HD3 LYS 34 HD3 LYS 34 9.973 -22.268 -10.588 238 HE2 LYS 34 HE2 LYS 34 8.615 -20.634 -8.467 239 HE3 LYS 34 HE3 LYS 34 8.712 -20.082 -10.138 240 HZ1 LYS 34 HZ1 LYS 34 7.513 -22.650 -9.249 241 HZ2 LYS 34 HZ2 LYS 34 7.573 -22.081 -10.841 242 HZ3 LYS 34 HZ3 LYS 34 6.645 -21.265 -9.685 243 H LEU 35 H LEU 35 12.006 -25.400 -6.302 244 HA LEU 35 HA LEU 35 13.840 -26.694 -6.687 245 HB2 LEU 35 HB2 LEU 35 13.267 -25.396 -8.953 246 HB3 LEU 35 HB3 LEU 35 14.896 -24.779 -8.684 247 HG LEU 35 HG LEU 35 15.343 -27.419 -8.388 248 HD11 LEU 35 HD11 LEU 35 13.221 -27.259 -10.519 249 HD12 LEU 35 HD12 LEU 35 12.952 -27.905 -8.900 250 HD13 LEU 35 HD13 LEU 35 14.102 -28.690 -9.982 251 HD21 LEU 35 HD21 LEU 35 16.458 -27.300 -10.411 252 HD22 LEU 35 HD22 LEU 35 16.327 -25.601 -9.956 253 HD23 LEU 35 HD23 LEU 35 15.223 -26.282 -11.152 Start of MODEL 4 1 H1 GLY 1 H GLY 1 2.630 1.687 -1.714 2 HA2 GLY 1 HA2 GLY 1 2.086 -0.139 0.244 3 HA3 GLY 1 HA3 GLY 1 1.139 -0.002 -1.230 4 H ASN 2 H ASN 2 2.950 -2.063 0.636 5 HA ASN 2 HA ASN 2 3.267 -3.925 -1.622 6 HB2 ASN 2 HB2 ASN 2 5.159 -3.518 0.704 7 HB3 ASN 2 HB3 ASN 2 5.270 -4.851 -0.442 8 HD21 ASN 2 HD21 ASN 2 7.152 -2.691 0.161 9 HD22 ASN 2 HD22 ASN 2 7.452 -1.896 -1.343 10 H ASP 3 H ASP 3 2.603 -5.997 -1.292 11 HA ASP 3 HA ASP 3 1.871 -6.858 1.398 12 HB2 ASP 3 HB2 ASP 3 -0.067 -6.672 -0.911 13 HB3 ASP 3 HB3 ASP 3 -0.361 -7.664 0.514 14 H CYS 4 H CYS 4 3.049 -8.652 1.578 15 HA CYS 4 HA CYS 4 2.537 -10.878 -0.164 16 HB2 CYS 4 HB2 CYS 4 5.029 -11.198 -0.642 17 HB3 CYS 4 HB3 CYS 4 4.194 -9.957 -1.571 18 H LEU 5 H LEU 5 4.186 -12.731 0.491 19 HA LEU 5 HA LEU 5 4.347 -12.696 3.433 20 HB2 LEU 5 HB2 LEU 5 4.012 -15.111 1.666 21 HB3 LEU 5 HB3 LEU 5 3.935 -15.060 3.426 22 HG LEU 5 HG LEU 5 1.961 -13.547 1.750 23 HD11 LEU 5 HD11 LEU 5 1.705 -15.712 0.874 24 HD12 LEU 5 HD12 LEU 5 0.465 -15.564 2.118 25 HD13 LEU 5 HD13 LEU 5 1.943 -16.468 2.449 26 HD21 LEU 5 HD21 LEU 5 2.046 -14.610 4.561 27 HD22 LEU 5 HD22 LEU 5 0.556 -14.059 3.795 28 HD23 LEU 5 HD23 LEU 5 1.897 -12.936 4.028 29 H GLY 6 H GLY 6 6.037 -14.084 4.376 30 HA2 GLY 6 HA2 GLY 6 8.535 -13.685 2.956 31 HA3 GLY 6 HA3 GLY 6 8.352 -14.236 4.615 32 H PHE 7 H PHE 7 9.762 -15.952 4.450 33 HA PHE 7 HA PHE 7 9.276 -17.971 2.402 34 HB2 PHE 7 HB2 PHE 7 11.587 -17.039 3.574 35 HB3 PHE 7 HB3 PHE 7 11.323 -18.564 4.413 36 HD1 PHE 7 HD1 PHE 7 10.777 -20.605 2.866 37 HD2 PHE 7 HD2 PHE 7 12.719 -17.045 1.573 38 HE1 PHE 7 HE1 PHE 7 11.728 -21.823 0.951 39 HE2 PHE 7 HE2 PHE 7 13.672 -18.256 -0.344 40 HZ PHE 7 HZ PHE 7 13.176 -20.648 -0.658 41 H TRP 8 H TRP 8 8.893 -20.173 2.902 42 HA TRP 8 HA TRP 8 7.723 -21.835 3.928 43 HB2 TRP 8 HB2 TRP 8 8.833 -20.763 6.519 44 HB3 TRP 8 HB3 TRP 8 8.428 -22.430 6.116 45 HD1 TRP 8 HD1 TRP 8 11.341 -20.308 6.504 46 HE1 TRP 8 HE1 TRP 8 13.396 -21.288 5.303 47 HE3 TRP 8 HE3 TRP 8 8.991 -23.777 3.575 48 HZ2 TRP 8 HZ2 TRP 8 13.947 -23.270 3.369 49 HZ3 TRP 8 HZ3 TRP 8 10.354 -25.174 2.077 50 HH2 TRP 8 HH2 TRP 8 12.781 -24.924 1.978 51 H SER 9 H SER 9 6.443 -19.195 3.637 52 HA SER 9 HA SER 9 4.656 -19.109 5.952 53 HB2 SER 9 HB2 SER 9 5.773 -17.058 4.662 54 HB3 SER 9 HB3 SER 9 4.331 -17.229 3.661 55 HG SER 9 HG SER 9 4.162 -17.128 6.476 56 H ALA 10 H ALA 10 2.770 -20.120 5.917 57 HA ALA 10 HA ALA 10 1.811 -21.689 3.865 58 HB1 ALA 10 HB1 ALA 10 -0.436 -20.764 5.326 59 HB2 ALA 10 HB2 ALA 10 0.428 -22.294 5.488 60 HB3 ALA 10 HB3 ALA 10 0.923 -20.896 6.443 61 H CYS 11 H CYS 11 0.496 -21.418 2.132 62 HA CYS 11 HA CYS 11 -0.920 -18.920 1.724 63 HB2 CYS 11 HB2 CYS 11 0.124 -18.617 -0.550 64 HB3 CYS 11 HB3 CYS 11 1.193 -18.278 0.808 65 H ASN 12 H ASN 12 -1.754 -19.081 -0.781 66 HA ASN 12 HA ASN 12 -3.074 -21.708 -0.914 67 HB2 ASN 12 HB2 ASN 12 -4.242 -19.246 -0.761 68 HB3 ASN 12 HB3 ASN 12 -4.208 -19.500 -2.503 69 HD21 ASN 12 HD21 ASN 12 -5.975 -20.378 -3.268 70 HD22 ASN 12 HD22 ASN 12 -7.003 -21.496 -2.445 71 HA PRO 13 HA PRO 13 -0.977 -22.539 -4.700 72 HB2 PRO 13 HB2 PRO 13 -2.654 -24.434 -5.683 73 HB3 PRO 13 HB3 PRO 13 -1.538 -24.738 -4.346 74 HG2 PRO 13 HG2 PRO 13 -4.465 -24.115 -4.267 75 HG3 PRO 13 HG3 PRO 13 -3.551 -25.315 -3.335 76 HD2 PRO 13 HD2 PRO 13 -4.282 -22.919 -2.306 77 HD3 PRO 13 HD3 PRO 13 -2.785 -23.747 -1.829 78 H LYS 14 H LYS 14 -4.236 -21.397 -4.549 79 HA LYS 14 HA LYS 14 -4.350 -20.945 -7.436 80 HB2 LYS 14 HB2 LYS 14 -6.476 -20.267 -5.407 81 HB3 LYS 14 HB3 LYS 14 -6.665 -20.451 -7.146 82 HG2 LYS 14 HG2 LYS 14 -6.011 -22.871 -6.832 83 HG3 LYS 14 HG3 LYS 14 -6.190 -22.595 -5.098 84 HD2 LYS 14 HD2 LYS 14 -8.400 -21.843 -6.967 85 HD3 LYS 14 HD3 LYS 14 -8.195 -23.527 -6.478 86 HE2 LYS 14 HE2 LYS 14 -8.243 -22.755 -4.101 87 HE3 LYS 14 HE3 LYS 14 -8.651 -21.144 -4.688 88 HZ1 LYS 14 HZ1 LYS 14 -10.536 -22.442 -5.906 89 HZ2 LYS 14 HZ2 LYS 14 -10.713 -22.006 -4.281 90 HZ3 LYS 14 HZ3 LYS 14 -10.275 -23.588 -4.689 91 H ASN 15 H ASN 15 -3.631 -19.315 -4.516 92 HA ASN 15 HA ASN 15 -3.360 -16.802 -5.994 93 HB2 ASN 15 HB2 ASN 15 -5.528 -16.864 -4.641 94 HB3 ASN 15 HB3 ASN 15 -4.508 -16.846 -3.205 95 HD21 ASN 15 HD21 ASN 15 -6.292 -14.860 -3.562 96 HD22 ASN 15 HD22 ASN 15 -5.484 -13.384 -3.956 97 H ASP 16 H ASP 16 -1.120 -17.263 -5.997 98 HA ASP 16 HA ASP 16 0.314 -17.650 -3.542 99 HB2 ASP 16 HB2 ASP 16 1.317 -18.636 -5.437 100 HB3 ASP 16 HB3 ASP 16 1.146 -17.168 -6.395 101 H LYS 17 H LYS 17 0.513 -16.062 -2.111 102 HA LYS 17 HA LYS 17 0.921 -13.317 -3.098 103 HB2 LYS 17 HB2 LYS 17 -0.437 -14.422 -0.671 104 HB3 LYS 17 HB3 LYS 17 0.271 -12.814 -0.598 105 HG2 LYS 17 HG2 LYS 17 -1.717 -13.659 -2.690 106 HG3 LYS 17 HG3 LYS 17 -2.161 -12.884 -1.167 107 HD2 LYS 17 HD2 LYS 17 -0.651 -10.989 -1.784 108 HD3 LYS 17 HD3 LYS 17 -0.437 -11.746 -3.364 109 HE2 LYS 17 HE2 LYS 17 -2.918 -11.655 -3.652 110 HE3 LYS 17 HE3 LYS 17 -3.004 -10.723 -2.158 111 HZ1 LYS 17 HZ1 LYS 17 -2.475 -9.802 -4.749 112 HZ2 LYS 17 HZ2 LYS 17 -1.090 -9.537 -3.814 113 HZ3 LYS 17 HZ3 LYS 17 -2.579 -8.904 -3.319 114 H CYS 18 H CYS 18 2.959 -15.436 -2.740 115 HA CYS 18 HA CYS 18 4.486 -14.756 -0.412 116 HB2 CYS 18 HB2 CYS 18 5.479 -16.193 -2.875 117 HB3 CYS 18 HB3 CYS 18 6.128 -16.285 -1.240 118 H CYS 19 H CYS 19 6.805 -14.040 -0.638 119 HA CYS 19 HA CYS 19 7.013 -11.912 -2.668 120 HB2 CYS 19 HB2 CYS 19 6.871 -11.574 0.079 121 HB3 CYS 19 HB3 CYS 19 8.597 -11.475 -0.255 122 H ALA 20 H ALA 20 9.525 -11.106 -2.474 123 HA ALA 20 HA ALA 20 11.623 -11.576 -3.230 124 HB1 ALA 20 HB1 ALA 20 11.575 -12.490 -0.818 125 HB2 ALA 20 HB2 ALA 20 11.566 -14.078 -1.586 126 HB3 ALA 20 HB3 ALA 20 12.902 -12.966 -1.878 127 H ASN 21 H ASN 21 9.340 -12.690 -4.716 128 HA ASN 21 HA ASN 21 8.975 -13.994 -6.543 129 HB2 ASN 21 HB2 ASN 21 11.868 -14.796 -6.570 130 HB3 ASN 21 HB3 ASN 21 10.785 -14.505 -7.929 131 HD21 ASN 21 HD21 ASN 21 13.410 -13.347 -6.523 132 HD22 ASN 21 HD22 ASN 21 13.235 -11.656 -6.836 133 H LEU 22 H LEU 22 8.820 -15.110 -3.852 134 HA LEU 22 HA LEU 22 9.847 -17.756 -3.835 135 HB2 LEU 22 HB2 LEU 22 7.856 -16.229 -2.234 136 HB3 LEU 22 HB3 LEU 22 7.875 -17.986 -2.096 137 HG LEU 22 HG LEU 22 10.455 -16.558 -1.752 138 HD11 LEU 22 HD11 LEU 22 8.086 -16.085 -0.095 139 HD12 LEU 22 HD12 LEU 22 9.582 -15.162 -0.234 140 HD13 LEU 22 HD13 LEU 22 9.520 -16.589 0.800 141 HD21 LEU 22 HD21 LEU 22 9.180 -19.097 -0.993 142 HD22 LEU 22 HD22 LEU 22 10.211 -18.372 0.242 143 HD23 LEU 22 HD23 LEU 22 10.868 -18.734 -1.355 144 H VAL 23 H VAL 23 8.116 -19.601 -3.424 145 HA VAL 23 HA VAL 23 6.057 -19.457 -5.519 146 HB VAL 23 HB VAL 23 7.899 -20.660 -6.512 147 HG11 VAL 23 HG11 VAL 23 7.834 -22.260 -3.970 148 HG12 VAL 23 HG12 VAL 23 8.598 -22.863 -5.443 149 HG13 VAL 23 HG13 VAL 23 9.187 -21.383 -4.684 150 HG21 VAL 23 HG21 VAL 23 6.647 -22.339 -7.378 151 HG22 VAL 23 HG22 VAL 23 6.161 -22.944 -5.794 152 HG23 VAL 23 HG23 VAL 23 5.366 -21.527 -6.478 153 H CYS 24 H CYS 24 4.159 -20.496 -5.082 154 HA CYS 24 HA CYS 24 3.825 -21.439 -2.338 155 HB2 CYS 24 HB2 CYS 24 2.311 -19.697 -3.519 156 HB3 CYS 24 HB3 CYS 24 1.597 -21.090 -4.325 157 H SER 25 H SER 25 4.573 -23.520 -2.314 158 HA SER 25 HA SER 25 4.178 -25.445 -4.307 159 HB2 SER 25 HB2 SER 25 5.861 -25.857 -2.670 160 HB3 SER 25 HB3 SER 25 4.709 -25.701 -1.344 161 HG SER 25 HG SER 25 5.211 -27.847 -3.023 162 H SER 26 H SER 26 2.395 -26.421 -4.973 163 HA SER 26 HA SER 26 -0.105 -26.091 -3.676 164 HB2 SER 26 HB2 SER 26 -0.966 -26.858 -5.618 165 HB3 SER 26 HB3 SER 26 0.691 -26.775 -6.217 166 HG SER 26 HG SER 26 -0.710 -29.018 -5.218 167 H LYS 27 H LYS 27 2.444 -28.204 -3.106 168 HA LYS 27 HA LYS 27 0.764 -30.346 -2.057 169 HB2 LYS 27 HB2 LYS 27 3.642 -30.039 -2.724 170 HB3 LYS 27 HB3 LYS 27 3.242 -31.149 -1.421 171 HG2 LYS 27 HG2 LYS 27 3.131 -32.610 -3.138 172 HG3 LYS 27 HG3 LYS 27 1.479 -31.996 -3.229 173 HD2 LYS 27 HD2 LYS 27 2.136 -31.804 -5.424 174 HD3 LYS 27 HD3 LYS 27 2.561 -30.204 -4.810 175 HE2 LYS 27 HE2 LYS 27 4.448 -30.867 -6.013 176 HE3 LYS 27 HE3 LYS 27 4.870 -31.214 -4.337 177 HZ1 LYS 27 HZ1 LYS 27 4.847 -33.429 -4.692 178 HZ2 LYS 27 HZ2 LYS 27 5.186 -32.967 -6.283 179 HZ3 LYS 27 HZ3 LYS 27 3.603 -33.365 -5.837 180 H HIS 28 H HIS 28 3.586 -28.560 -0.798 181 HA HIS 28 HA HIS 28 2.873 -29.088 1.916 182 HB2 HIS 28 HB2 HIS 28 5.075 -27.796 0.487 183 HB3 HIS 28 HB3 HIS 28 4.677 -27.000 2.007 184 HD1 HIS 28 HD1 HIS 28 4.083 -29.336 3.820 185 HD2 HIS 28 HD2 HIS 28 7.217 -29.332 1.092 186 HE1 HIS 28 HE1 HIS 28 5.729 -31.030 4.685 187 H LYS 29 H LYS 29 1.956 -26.726 -0.367 188 HA LYS 29 HA LYS 29 0.663 -24.857 -0.261 189 HB2 LYS 29 HB2 LYS 29 -0.180 -25.839 2.466 190 HB3 LYS 29 HB3 LYS 29 -1.090 -24.809 1.368 191 HG2 LYS 29 HG2 LYS 29 -1.148 -26.737 -0.236 192 HG3 LYS 29 HG3 LYS 29 -0.467 -27.733 1.052 193 HD2 LYS 29 HD2 LYS 29 -2.919 -26.106 1.575 194 HD3 LYS 29 HD3 LYS 29 -3.052 -27.634 0.701 195 HE2 LYS 29 HE2 LYS 29 -2.001 -28.806 2.551 196 HE3 LYS 29 HE3 LYS 29 -1.776 -27.285 3.413 197 HZ1 LYS 29 HZ1 LYS 29 -4.491 -27.619 2.676 198 HZ2 LYS 29 HZ2 LYS 29 -3.821 -27.423 4.216 199 HZ3 LYS 29 HZ3 LYS 29 -3.958 -28.969 3.545 200 H TRP 30 H TRP 30 3.063 -24.062 0.133 201 HA TRP 30 HA TRP 30 2.842 -21.930 2.047 202 HB2 TRP 30 HB2 TRP 30 4.850 -22.467 3.327 203 HB3 TRP 30 HB3 TRP 30 3.663 -23.759 3.484 204 HD1 TRP 30 HD1 TRP 30 4.918 -24.478 0.247 205 HE1 TRP 30 HE1 TRP 30 6.886 -26.136 0.282 206 HE3 TRP 30 HE3 TRP 30 6.176 -24.141 5.191 207 HZ2 TRP 30 HZ2 TRP 30 8.728 -27.165 2.157 208 HZ3 TRP 30 HZ3 TRP 30 8.052 -25.496 6.026 209 HH2 TRP 30 HH2 TRP 30 9.301 -26.976 4.539 210 H CYS 31 H CYS 31 4.886 -20.551 2.007 211 HA CYS 31 HA CYS 31 5.632 -20.185 -0.768 212 HB2 CYS 31 HB2 CYS 31 6.333 -18.571 1.695 213 HB3 CYS 31 HB3 CYS 31 6.695 -18.105 0.036 214 H LYS 32 H LYS 32 6.992 -21.937 -1.188 215 HA LYS 32 HA LYS 32 9.496 -22.060 0.341 216 HB2 LYS 32 HB2 LYS 32 9.823 -24.253 -0.735 217 HB3 LYS 32 HB3 LYS 32 8.308 -24.176 0.155 218 HG2 LYS 32 HG2 LYS 32 7.389 -25.023 -1.687 219 HG3 LYS 32 HG3 LYS 32 7.546 -23.396 -2.352 220 HD2 LYS 32 HD2 LYS 32 8.471 -24.950 -3.928 221 HD3 LYS 32 HD3 LYS 32 9.798 -24.034 -3.208 222 HE2 LYS 32 HE2 LYS 32 10.502 -25.842 -1.916 223 HE3 LYS 32 HE3 LYS 32 8.957 -26.677 -2.072 224 HZ1 LYS 32 HZ1 LYS 32 9.999 -27.849 -3.640 225 HZ2 LYS 32 HZ2 LYS 32 11.252 -26.727 -3.808 226 HZ3 LYS 32 HZ3 LYS 32 9.793 -26.493 -4.631 227 H GLY 33 H GLY 33 11.302 -23.035 -1.320 228 HA2 GLY 33 HA2 GLY 33 11.664 -20.856 -3.237 229 HA3 GLY 33 HA3 GLY 33 12.912 -21.953 -2.664 230 H LYS 34 H LYS 34 11.335 -21.093 -5.337 231 HA LYS 34 HA LYS 34 10.545 -23.563 -6.481 232 HB2 LYS 34 HB2 LYS 34 10.051 -21.082 -7.199 233 HB3 LYS 34 HB3 LYS 34 11.511 -21.281 -8.159 234 HG2 LYS 34 HG2 LYS 34 10.559 -22.910 -9.505 235 HG3 LYS 34 HG3 LYS 34 9.300 -23.288 -8.326 236 HD2 LYS 34 HD2 LYS 34 8.193 -22.089 -10.011 237 HD3 LYS 34 HD3 LYS 34 8.459 -20.907 -8.727 238 HE2 LYS 34 HE2 LYS 34 8.995 -19.904 -10.849 239 HE3 LYS 34 HE3 LYS 34 10.479 -20.126 -9.924 240 HZ1 LYS 34 HZ1 LYS 34 11.278 -21.180 -11.686 241 HZ2 LYS 34 HZ2 LYS 34 9.776 -21.184 -12.464 242 HZ3 LYS 34 HZ3 LYS 34 10.177 -22.431 -11.393 243 H LEU 35 H LEU 35 11.926 -25.202 -6.714 244 HA LEU 35 HA LEU 35 14.652 -24.625 -7.656 245 HB2 LEU 35 HB2 LEU 35 14.686 -25.779 -5.578 246 HB3 LEU 35 HB3 LEU 35 13.499 -26.954 -6.140 247 HG LEU 35 HG LEU 35 15.250 -27.736 -7.792 248 HD11 LEU 35 HD11 LEU 35 17.108 -26.546 -7.996 249 HD12 LEU 35 HD12 LEU 35 17.546 -27.012 -6.352 250 HD13 LEU 35 HD13 LEU 35 16.651 -25.519 -6.637 251 HD21 LEU 35 HD21 LEU 35 16.549 -28.948 -5.984 252 HD22 LEU 35 HD22 LEU 35 14.794 -29.118 -5.937 253 HD23 LEU 35 HD23 LEU 35 15.605 -28.019 -4.820 Start of MODEL 5 1 H1 GLY 1 H GLY 1 0.574 -0.842 1.395 2 HA2 GLY 1 HA2 GLY 1 1.291 0.467 -1.081 3 HA3 GLY 1 HA3 GLY 1 2.637 0.242 0.027 4 H ASN 2 H ASN 2 3.695 -1.639 -0.019 5 HA ASN 2 HA ASN 2 2.940 -3.621 -1.944 6 HB2 ASN 2 HB2 ASN 2 5.137 -3.802 0.125 7 HB3 ASN 2 HB3 ASN 2 5.010 -4.714 -1.377 8 HD21 ASN 2 HD21 ASN 2 5.844 -3.886 -3.190 9 HD22 ASN 2 HD22 ASN 2 6.553 -2.316 -3.322 10 H ASP 3 H ASP 3 2.968 -5.985 -1.340 11 HA ASP 3 HA ASP 3 2.177 -6.722 1.310 12 HB2 ASP 3 HB2 ASP 3 0.102 -5.654 0.165 13 HB3 ASP 3 HB3 ASP 3 0.042 -7.152 -0.760 14 H CYS 4 H CYS 4 3.265 -8.557 1.515 15 HA CYS 4 HA CYS 4 2.748 -10.776 -0.231 16 HB2 CYS 4 HB2 CYS 4 5.239 -11.111 -0.707 17 HB3 CYS 4 HB3 CYS 4 4.411 -9.866 -1.637 18 H LEU 5 H LEU 5 4.370 -12.644 0.426 19 HA LEU 5 HA LEU 5 4.536 -12.609 3.367 20 HB2 LEU 5 HB2 LEU 5 4.190 -15.025 1.603 21 HB3 LEU 5 HB3 LEU 5 4.103 -14.967 3.362 22 HG LEU 5 HG LEU 5 2.149 -13.449 1.666 23 HD11 LEU 5 HD11 LEU 5 2.143 -16.369 2.349 24 HD12 LEU 5 HD12 LEU 5 1.839 -15.592 0.795 25 HD13 LEU 5 HD13 LEU 5 0.644 -15.476 2.087 26 HD21 LEU 5 HD21 LEU 5 2.332 -12.973 4.089 27 HD22 LEU 5 HD22 LEU 5 1.932 -14.659 4.420 28 HD23 LEU 5 HD23 LEU 5 0.756 -13.613 3.623 29 H GLY 6 H GLY 6 6.208 -14.043 4.301 30 HA2 GLY 6 HA2 GLY 6 8.714 -13.646 2.890 31 HA3 GLY 6 HA3 GLY 6 8.523 -14.205 4.545 32 H PHE 7 H PHE 7 9.922 -15.930 4.371 33 HA PHE 7 HA PHE 7 9.422 -17.934 2.313 34 HB2 PHE 7 HB2 PHE 7 11.739 -17.026 3.495 35 HB3 PHE 7 HB3 PHE 7 11.462 -18.556 4.322 36 HD1 PHE 7 HD1 PHE 7 10.902 -20.581 2.761 37 HD2 PHE 7 HD2 PHE 7 12.873 -17.027 1.496 38 HE1 PHE 7 HE1 PHE 7 11.846 -21.793 0.839 39 HE2 PHE 7 HE2 PHE 7 13.820 -18.233 -0.429 40 HZ PHE 7 HZ PHE 7 13.306 -20.619 -0.760 41 H TRP 8 H TRP 8 9.022 -20.136 2.801 42 HA TRP 8 HA TRP 8 7.836 -21.793 3.816 43 HB2 TRP 8 HB2 TRP 8 8.955 -20.749 6.414 44 HB3 TRP 8 HB3 TRP 8 8.536 -22.409 5.999 45 HD1 TRP 8 HD1 TRP 8 11.466 -20.313 6.403 46 HE1 TRP 8 HE1 TRP 8 13.513 -21.301 5.195 47 HE3 TRP 8 HE3 TRP 8 9.089 -23.743 3.450 48 HZ2 TRP 8 HZ2 TRP 8 14.049 -23.273 3.249 49 HZ3 TRP 8 HZ3 TRP 8 10.442 -25.141 1.943 50 HH2 TRP 8 HH2 TRP 8 12.870 -24.909 1.845 51 H SER 9 H SER 9 6.577 -19.144 3.540 52 HA SER 9 HA SER 9 4.794 -19.050 5.857 53 HB2 SER 9 HB2 SER 9 5.922 -17.003 4.585 54 HB3 SER 9 HB3 SER 9 4.493 -17.165 3.564 55 HG SER 9 HG SER 9 4.716 -16.168 6.081 56 H ALA 10 H ALA 10 2.900 -20.046 5.825 57 HA ALA 10 HA ALA 10 1.926 -21.603 3.768 58 HB1 ALA 10 HB1 ALA 10 0.802 -22.181 5.622 59 HB2 ALA 10 HB2 ALA 10 0.852 -20.547 6.285 60 HB3 ALA 10 HB3 ALA 10 -0.365 -20.973 5.082 61 H CYS 11 H CYS 11 0.646 -21.306 2.022 62 HA CYS 11 HA CYS 11 -0.768 -18.798 1.637 63 HB2 CYS 11 HB2 CYS 11 0.270 -18.497 -0.639 64 HB3 CYS 11 HB3 CYS 11 1.348 -18.174 0.715 65 H ASN 12 H ASN 12 -1.610 -18.945 -0.868 66 HA ASN 12 HA ASN 12 -2.958 -21.558 -1.002 67 HB2 ASN 12 HB2 ASN 12 -4.101 -19.086 -0.839 68 HB3 ASN 12 HB3 ASN 12 -4.071 -19.333 -2.583 69 HD21 ASN 12 HD21 ASN 12 -5.883 -20.138 -3.323 70 HD22 ASN 12 HD22 ASN 12 -6.907 -21.270 -2.514 71 HA PRO 13 HA PRO 13 -0.877 -22.401 -4.795 72 HB2 PRO 13 HB2 PRO 13 -2.572 -24.281 -5.775 73 HB3 PRO 13 HB3 PRO 13 -1.455 -24.596 -4.442 74 HG2 PRO 13 HG2 PRO 13 -4.377 -23.950 -4.353 75 HG3 PRO 13 HG3 PRO 13 -3.470 -25.158 -3.425 76 HD2 PRO 13 HD2 PRO 13 -4.178 -22.757 -2.391 77 HD3 PRO 13 HD3 PRO 13 -2.686 -23.598 -1.920 78 H LYS 14 H LYS 14 -4.134 -21.245 -4.636 79 HA LYS 14 HA LYS 14 -4.256 -20.790 -7.521 80 HB2 LYS 14 HB2 LYS 14 -6.362 -20.062 -5.490 81 HB3 LYS 14 HB3 LYS 14 -6.561 -20.282 -7.223 82 HG2 LYS 14 HG2 LYS 14 -5.934 -22.702 -6.861 83 HG3 LYS 14 HG3 LYS 14 -6.096 -22.387 -5.131 84 HD2 LYS 14 HD2 LYS 14 -8.424 -21.383 -5.926 85 HD3 LYS 14 HD3 LYS 14 -8.176 -22.524 -7.249 86 HE2 LYS 14 HE2 LYS 14 -8.157 -24.367 -5.804 87 HE3 LYS 14 HE3 LYS 14 -7.882 -23.361 -4.382 88 HZ1 LYS 14 HZ1 LYS 14 -10.249 -22.468 -5.437 89 HZ2 LYS 14 HZ2 LYS 14 -10.064 -23.445 -4.070 90 HZ3 LYS 14 HZ3 LYS 14 -10.341 -24.151 -5.582 91 H ASN 15 H ASN 15 -3.492 -19.160 -4.612 92 HA ASN 15 HA ASN 15 -3.185 -16.660 -6.101 93 HB2 ASN 15 HB2 ASN 15 -5.363 -16.686 -4.757 94 HB3 ASN 15 HB3 ASN 15 -4.347 -16.660 -3.318 95 HD21 ASN 15 HD21 ASN 15 -6.141 -14.662 -3.790 96 HD22 ASN 15 HD22 ASN 15 -5.303 -13.200 -4.169 97 H ASP 16 H ASP 16 -0.955 -17.092 -6.091 98 HA ASP 16 HA ASP 16 0.463 -17.514 -3.628 99 HB2 ASP 16 HB2 ASP 16 1.466 -18.500 -5.525 100 HB3 ASP 16 HB3 ASP 16 1.318 -17.023 -6.474 101 H LYS 17 H LYS 17 0.666 -15.934 -2.190 102 HA LYS 17 HA LYS 17 1.099 -13.188 -3.164 103 HB2 LYS 17 HB2 LYS 17 -0.087 -14.202 -0.579 104 HB3 LYS 17 HB3 LYS 17 0.339 -12.517 -0.851 105 HG2 LYS 17 HG2 LYS 17 -1.214 -13.157 -3.042 106 HG3 LYS 17 HG3 LYS 17 -1.994 -14.008 -1.707 107 HD2 LYS 17 HD2 LYS 17 -1.869 -11.828 -0.423 108 HD3 LYS 17 HD3 LYS 17 -1.412 -11.064 -1.947 109 HE2 LYS 17 HE2 LYS 17 -3.488 -11.326 -2.859 110 HE3 LYS 17 HE3 LYS 17 -3.830 -12.787 -1.933 111 HZ1 LYS 17 HZ1 LYS 17 -3.560 -10.562 -0.204 112 HZ2 LYS 17 HZ2 LYS 17 -4.885 -11.593 -0.414 113 HZ3 LYS 17 HZ3 LYS 17 -4.712 -10.226 -1.397 114 H CYS 18 H CYS 18 3.133 -15.293 -2.835 115 HA CYS 18 HA CYS 18 4.650 -14.640 -0.487 116 HB2 CYS 18 HB2 CYS 18 5.639 -16.081 -2.949 117 HB3 CYS 18 HB3 CYS 18 6.288 -16.177 -1.315 118 H CYS 19 H CYS 19 6.995 -13.966 -0.732 119 HA CYS 19 HA CYS 19 7.215 -11.824 -2.745 120 HB2 CYS 19 HB2 CYS 19 7.082 -11.498 0.005 121 HB3 CYS 19 HB3 CYS 19 8.807 -11.408 -0.336 122 H ALA 20 H ALA 20 9.734 -11.043 -2.552 123 HA ALA 20 HA ALA 20 11.827 -11.530 -3.312 124 HB1 ALA 20 HB1 ALA 20 11.517 -13.893 -1.463 125 HB2 ALA 20 HB2 ALA 20 13.037 -13.256 -2.091 126 HB3 ALA 20 HB3 ALA 20 12.058 -12.281 -0.995 127 H ASN 21 H ASN 21 9.526 -12.622 -4.793 128 HA ASN 21 HA ASN 21 9.146 -13.915 -6.626 129 HB2 ASN 21 HB2 ASN 21 12.033 -14.741 -6.664 130 HB3 ASN 21 HB3 ASN 21 10.949 -14.435 -8.018 131 HD21 ASN 21 HD21 ASN 21 13.506 -13.255 -6.350 132 HD22 ASN 21 HD22 ASN 21 13.376 -11.581 -6.757 133 H LEU 22 H LEU 22 8.984 -15.040 -3.942 134 HA LEU 22 HA LEU 22 9.992 -17.693 -3.933 135 HB2 LEU 22 HB2 LEU 22 8.005 -16.162 -2.329 136 HB3 LEU 22 HB3 LEU 22 8.022 -17.919 -2.195 137 HG LEU 22 HG LEU 22 10.603 -16.492 -1.847 138 HD11 LEU 22 HD11 LEU 22 8.234 -16.017 -0.195 139 HD12 LEU 22 HD12 LEU 22 9.738 -15.104 -0.318 140 HD13 LEU 22 HD13 LEU 22 9.658 -16.538 0.706 141 HD21 LEU 22 HD21 LEU 22 10.362 -18.312 0.140 142 HD22 LEU 22 HD22 LEU 22 11.018 -18.668 -1.458 143 HD23 LEU 22 HD23 LEU 22 9.330 -19.034 -1.095 144 H VAL 23 H VAL 23 8.234 -19.521 -3.517 145 HA VAL 23 HA VAL 23 6.182 -19.357 -5.617 146 HB VAL 23 HB VAL 23 8.018 -20.570 -6.612 147 HG11 VAL 23 HG11 VAL 23 7.933 -22.179 -4.077 148 HG12 VAL 23 HG12 VAL 23 8.690 -22.787 -5.551 149 HG13 VAL 23 HG13 VAL 23 9.297 -21.317 -4.788 150 HG21 VAL 23 HG21 VAL 23 5.739 -21.341 -7.091 151 HG22 VAL 23 HG22 VAL 23 6.901 -22.666 -7.151 152 HG23 VAL 23 HG23 VAL 23 5.847 -22.480 -5.749 153 H CYS 24 H CYS 24 4.280 -20.402 -5.192 154 HA CYS 24 HA CYS 24 3.939 -21.349 -2.448 155 HB2 CYS 24 HB2 CYS 24 2.437 -19.589 -3.622 156 HB3 CYS 24 HB3 CYS 24 1.711 -20.975 -4.430 157 H SER 25 H SER 25 4.680 -23.435 -2.443 158 HA SER 25 HA SER 25 4.264 -25.346 -4.444 159 HB2 SER 25 HB2 SER 25 5.950 -25.762 -2.802 160 HB3 SER 25 HB3 SER 25 4.787 -25.637 -1.482 161 HG SER 25 HG SER 25 5.322 -27.751 -3.185 162 H SER 26 H SER 26 2.474 -26.307 -5.111 163 HA SER 26 HA SER 26 -0.021 -25.967 -3.806 164 HB2 SER 26 HB2 SER 26 0.958 -27.227 -6.275 165 HB3 SER 26 HB3 SER 26 -0.459 -28.012 -5.579 166 HG SER 26 HG SER 26 -0.888 -26.237 -7.070 167 H LYS 27 H LYS 27 2.515 -28.097 -3.250 168 HA LYS 27 HA LYS 27 0.824 -30.235 -2.210 169 HB2 LYS 27 HB2 LYS 27 3.005 -30.582 -3.543 170 HB3 LYS 27 HB3 LYS 27 3.827 -30.139 -2.052 171 HG2 LYS 27 HG2 LYS 27 3.790 -32.416 -1.869 172 HG3 LYS 27 HG3 LYS 27 2.305 -31.995 -1.013 173 HD2 LYS 27 HD2 LYS 27 1.672 -33.745 -2.431 174 HD3 LYS 27 HD3 LYS 27 1.144 -32.291 -3.281 175 HE2 LYS 27 HE2 LYS 27 2.176 -33.444 -4.979 176 HE3 LYS 27 HE3 LYS 27 3.506 -32.445 -4.394 177 HZ1 LYS 27 HZ1 LYS 27 3.266 -34.979 -3.046 178 HZ2 LYS 27 HZ2 LYS 27 4.632 -34.228 -3.701 179 HZ3 LYS 27 HZ3 LYS 27 3.599 -35.122 -4.699 180 H HIS 28 H HIS 28 3.657 -28.470 -0.945 181 HA HIS 28 HA HIS 28 2.942 -29.007 1.767 182 HB2 HIS 28 HB2 HIS 28 5.153 -27.726 0.343 183 HB3 HIS 28 HB3 HIS 28 4.760 -26.932 1.866 184 HD1 HIS 28 HD1 HIS 28 4.266 -29.104 3.786 185 HD2 HIS 28 HD2 HIS 28 7.166 -29.445 0.830 186 HE1 HIS 28 HE1 HIS 28 5.870 -30.854 4.617 187 H LYS 29 H LYS 29 2.040 -26.629 -0.504 188 HA LYS 29 HA LYS 29 0.762 -24.750 -0.389 189 HB2 LYS 29 HB2 LYS 29 -0.095 -25.717 2.336 190 HB3 LYS 29 HB3 LYS 29 -1.001 -24.708 1.216 191 HG2 LYS 29 HG2 LYS 29 -1.066 -26.647 -0.356 192 HG3 LYS 29 HG3 LYS 29 -0.350 -27.630 0.924 193 HD2 LYS 29 HD2 LYS 29 -2.312 -26.785 2.368 194 HD3 LYS 29 HD3 LYS 29 -3.051 -26.328 0.832 195 HE2 LYS 29 HE2 LYS 29 -1.976 -29.092 1.268 196 HE3 LYS 29 HE3 LYS 29 -3.586 -28.648 1.832 197 HZ1 LYS 29 HZ1 LYS 29 -3.394 -27.751 -0.778 198 HZ2 LYS 29 HZ2 LYS 29 -4.313 -29.050 -0.206 199 HZ3 LYS 29 HZ3 LYS 29 -2.744 -29.313 -0.783 200 H TRP 30 H TRP 30 3.165 -23.972 0.011 201 HA TRP 30 HA TRP 30 2.958 -21.852 1.939 202 HB2 TRP 30 HB2 TRP 30 4.963 -22.410 3.214 203 HB3 TRP 30 HB3 TRP 30 3.768 -23.695 3.364 204 HD1 TRP 30 HD1 TRP 30 5.017 -24.401 0.122 205 HE1 TRP 30 HE1 TRP 30 6.974 -26.071 0.145 206 HE3 TRP 30 HE3 TRP 30 6.279 -24.104 5.067 207 HZ2 TRP 30 HZ2 TRP 30 8.810 -27.125 2.013 208 HZ3 TRP 30 HZ3 TRP 30 8.147 -25.476 5.892 209 HH2 TRP 30 HH2 TRP 30 9.385 -26.955 4.395 210 H CYS 31 H CYS 31 5.011 -20.485 1.908 211 HA CYS 31 HA CYS 31 5.758 -20.105 -0.864 212 HB2 CYS 31 HB2 CYS 31 6.467 -18.513 1.610 213 HB3 CYS 31 HB3 CYS 31 6.836 -18.038 -0.045 214 H LYS 32 H LYS 32 7.105 -21.868 -1.292 215 HA LYS 32 HA LYS 32 9.610 -22.012 0.232 216 HB2 LYS 32 HB2 LYS 32 9.922 -24.203 -0.852 217 HB3 LYS 32 HB3 LYS 32 8.408 -24.119 0.040 218 HG2 LYS 32 HG2 LYS 32 7.478 -24.950 -1.803 219 HG3 LYS 32 HG3 LYS 32 7.652 -23.324 -2.466 220 HD2 LYS 32 HD2 LYS 32 8.570 -24.850 -4.055 221 HD3 LYS 32 HD3 LYS 32 9.918 -24.001 -3.296 222 HE2 LYS 32 HE2 LYS 32 10.354 -26.406 -3.529 223 HE3 LYS 32 HE3 LYS 32 10.328 -25.898 -1.841 224 HZ1 LYS 32 HZ1 LYS 32 8.934 -27.974 -2.879 225 HZ2 LYS 32 HZ2 LYS 32 7.764 -26.754 -2.814 226 HZ3 LYS 32 HZ3 LYS 32 8.592 -27.206 -1.410 227 H GLY 33 H GLY 33 11.407 -22.993 -1.435 228 HA2 GLY 33 HA2 GLY 33 11.779 -20.809 -3.346 229 HA3 GLY 33 HA3 GLY 33 13.023 -21.912 -2.776 230 H LYS 34 H LYS 34 11.437 -21.042 -5.444 231 HA LYS 34 HA LYS 34 10.504 -23.370 -6.647 232 HB2 LYS 34 HB2 LYS 34 10.900 -20.726 -7.419 233 HB3 LYS 34 HB3 LYS 34 11.916 -21.648 -8.519 234 HG2 LYS 34 HG2 LYS 34 9.602 -23.090 -8.553 235 HG3 LYS 34 HG3 LYS 34 9.007 -21.438 -8.374 236 HD2 LYS 34 HD2 LYS 34 10.987 -22.315 -10.473 237 HD3 LYS 34 HD3 LYS 34 9.248 -22.182 -10.741 238 HE2 LYS 34 HE2 LYS 34 9.900 -20.124 -11.477 239 HE3 LYS 34 HE3 LYS 34 9.649 -19.755 -9.772 240 HZ1 LYS 34 HZ1 LYS 34 11.849 -19.087 -11.009 241 HZ2 LYS 34 HZ2 LYS 34 12.303 -20.665 -10.602 242 HZ3 LYS 34 HZ3 LYS 34 11.868 -19.570 -9.387 243 H LEU 35 H LEU 35 11.638 -25.219 -6.595 244 HA LEU 35 HA LEU 35 14.500 -25.258 -6.944 245 HB2 LEU 35 HB2 LEU 35 12.550 -27.552 -6.804 246 HB3 LEU 35 HB3 LEU 35 14.303 -27.661 -6.662 247 HG LEU 35 HG LEU 35 12.661 -26.082 -4.705 248 HD11 LEU 35 HD11 LEU 35 12.467 -28.860 -5.108 249 HD12 LEU 35 HD12 LEU 35 11.841 -27.910 -3.761 250 HD13 LEU 35 HD13 LEU 35 13.451 -28.623 -3.663 251 HD21 LEU 35 HD21 LEU 35 15.049 -25.666 -4.706 252 HD22 LEU 35 HD22 LEU 35 15.374 -27.395 -4.575 253 HD23 LEU 35 HD23 LEU 35 14.586 -26.542 -3.247 Start of MODEL 6 1 H1 GLY 1 H GLY 1 0.765 -0.554 0.670 2 HA2 GLY 1 HA2 GLY 1 2.285 0.801 -1.083 3 HA3 GLY 1 HA3 GLY 1 3.460 0.389 0.157 4 H ASN 2 H ASN 2 3.709 -1.918 0.680 5 HA ASN 2 HA ASN 2 3.378 -3.543 -1.746 6 HB2 ASN 2 HB2 ASN 2 5.336 -3.811 0.546 7 HB3 ASN 2 HB3 ASN 2 5.222 -4.933 -0.807 8 HD21 ASN 2 HD21 ASN 2 6.934 -2.440 0.357 9 HD22 ASN 2 HD22 ASN 2 7.539 -1.767 -1.114 10 H ASP 3 H ASP 3 3.218 -5.958 -1.278 11 HA ASP 3 HA ASP 3 1.988 -6.760 1.181 12 HB2 ASP 3 HB2 ASP 3 0.184 -5.534 -0.260 13 HB3 ASP 3 HB3 ASP 3 0.185 -7.022 -1.202 14 H CYS 4 H CYS 4 3.128 -8.578 1.410 15 HA CYS 4 HA CYS 4 2.664 -10.786 -0.343 16 HB2 CYS 4 HB2 CYS 4 5.161 -11.131 -0.789 17 HB3 CYS 4 HB3 CYS 4 4.343 -9.895 -1.740 18 H LEU 5 H LEU 5 4.269 -12.657 0.341 19 HA LEU 5 HA LEU 5 4.395 -12.608 3.284 20 HB2 LEU 5 HB2 LEU 5 4.060 -15.009 1.493 21 HB3 LEU 5 HB3 LEU 5 4.012 -14.993 3.255 22 HG LEU 5 HG LEU 5 2.009 -13.466 1.618 23 HD11 LEU 5 HD11 LEU 5 0.641 -15.662 2.357 24 HD12 LEU 5 HD12 LEU 5 2.220 -16.375 2.032 25 HD13 LEU 5 HD13 LEU 5 1.390 -15.461 0.773 26 HD21 LEU 5 HD21 LEU 5 0.796 -13.311 3.567 27 HD22 LEU 5 HD22 LEU 5 2.447 -13.224 4.181 28 HD23 LEU 5 HD23 LEU 5 1.548 -14.739 4.278 29 H GLY 6 H GLY 6 6.045 -14.084 4.235 30 HA2 GLY 6 HA2 GLY 6 8.574 -13.679 2.848 31 HA3 GLY 6 HA3 GLY 6 8.370 -14.184 4.519 32 H PHE 7 H PHE 7 9.890 -15.851 4.273 33 HA PHE 7 HA PHE 7 9.384 -17.933 2.318 34 HB2 PHE 7 HB2 PHE 7 11.675 -16.984 3.515 35 HB3 PHE 7 HB3 PHE 7 11.392 -18.491 4.379 36 HD1 PHE 7 HD1 PHE 7 10.850 -20.557 2.850 37 HD2 PHE 7 HD2 PHE 7 12.863 -17.039 1.550 38 HE1 PHE 7 HE1 PHE 7 11.833 -21.816 0.979 39 HE2 PHE 7 HE2 PHE 7 13.849 -18.292 -0.324 40 HZ PHE 7 HZ PHE 7 13.334 -20.683 -0.612 41 H TRP 8 H TRP 8 8.967 -20.117 2.841 42 HA TRP 8 HA TRP 8 7.757 -21.750 3.869 43 HB2 TRP 8 HB2 TRP 8 8.884 -20.684 6.456 44 HB3 TRP 8 HB3 TRP 8 8.449 -22.345 6.062 45 HD1 TRP 8 HD1 TRP 8 11.398 -20.265 6.429 46 HE1 TRP 8 HE1 TRP 8 13.436 -21.292 5.239 47 HE3 TRP 8 HE3 TRP 8 8.990 -23.730 3.543 48 HZ2 TRP 8 HZ2 TRP 8 13.953 -23.305 3.329 49 HZ3 TRP 8 HZ3 TRP 8 10.329 -25.166 2.061 50 HH2 TRP 8 HH2 TRP 8 12.759 -24.957 1.958 51 H SER 9 H SER 9 6.493 -19.130 3.535 52 HA SER 9 HA SER 9 4.722 -18.975 5.860 53 HB2 SER 9 HB2 SER 9 5.848 -16.951 4.577 54 HB3 SER 9 HB3 SER 9 4.452 -17.139 3.516 55 HG SER 9 HG SER 9 4.564 -16.373 6.205 56 H ALA 10 H ALA 10 2.821 -19.960 5.852 57 HA ALA 10 HA ALA 10 1.839 -21.563 3.837 58 HB1 ALA 10 HB1 ALA 10 -0.243 -20.326 5.494 59 HB2 ALA 10 HB2 ALA 10 0.168 -22.026 5.265 60 HB3 ALA 10 HB3 ALA 10 1.096 -21.038 6.394 61 H CYS 11 H CYS 11 0.522 -21.315 2.101 62 HA CYS 11 HA CYS 11 -0.875 -18.819 1.639 63 HB2 CYS 11 HB2 CYS 11 0.184 -18.555 -0.633 64 HB3 CYS 11 HB3 CYS 11 1.243 -18.193 0.726 65 H ASN 12 H ASN 12 -1.693 -19.019 -0.869 66 HA ASN 12 HA ASN 12 -3.022 -21.643 -0.965 67 HB2 ASN 12 HB2 ASN 12 -4.178 -19.173 -0.873 68 HB3 ASN 12 HB3 ASN 12 -4.128 -19.461 -2.610 69 HD21 ASN 12 HD21 ASN 12 -5.869 -20.377 -3.390 70 HD22 ASN 12 HD22 ASN 12 -6.920 -21.462 -2.550 71 HA PRO 13 HA PRO 13 -0.892 -22.560 -4.713 72 HB2 PRO 13 HB2 PRO 13 -2.570 -24.465 -5.676 73 HB3 PRO 13 HB3 PRO 13 -1.469 -24.749 -4.322 74 HG2 PRO 13 HG2 PRO 13 -4.393 -24.108 -4.285 75 HG3 PRO 13 HG3 PRO 13 -3.495 -25.295 -3.320 76 HD2 PRO 13 HD2 PRO 13 -4.223 -22.875 -2.346 77 HD3 PRO 13 HD3 PRO 13 -2.736 -23.701 -1.838 78 H LYS 14 H LYS 14 -4.137 -21.383 -4.614 79 HA LYS 14 HA LYS 14 -4.218 -20.988 -7.512 80 HB2 LYS 14 HB2 LYS 14 -6.369 -20.270 -5.523 81 HB3 LYS 14 HB3 LYS 14 -6.535 -20.486 -7.261 82 HG2 LYS 14 HG2 LYS 14 -6.005 -22.883 -6.974 83 HG3 LYS 14 HG3 LYS 14 -5.971 -22.633 -5.227 84 HD2 LYS 14 HD2 LYS 14 -8.353 -21.612 -5.645 85 HD3 LYS 14 HD3 LYS 14 -8.285 -22.591 -7.112 86 HE2 LYS 14 HE2 LYS 14 -7.868 -23.622 -4.308 87 HE3 LYS 14 HE3 LYS 14 -9.365 -23.763 -5.229 88 HZ1 LYS 14 HZ1 LYS 14 -7.918 -24.927 -6.957 89 HZ2 LYS 14 HZ2 LYS 14 -8.300 -25.786 -5.551 90 HZ3 LYS 14 HZ3 LYS 14 -6.771 -25.084 -5.723 91 H ASN 15 H ASN 15 -3.529 -19.313 -4.611 92 HA ASN 15 HA ASN 15 -3.239 -16.824 -6.126 93 HB2 ASN 15 HB2 ASN 15 -5.418 -16.860 -4.792 94 HB3 ASN 15 HB3 ASN 15 -4.412 -16.823 -3.347 95 HD21 ASN 15 HD21 ASN 15 -6.162 -14.835 -3.691 96 HD22 ASN 15 HD22 ASN 15 -5.356 -13.369 -4.122 97 H ASP 16 H ASP 16 -1.002 -17.248 -6.106 98 HA ASP 16 HA ASP 16 0.409 -17.604 -3.626 99 HB2 ASP 16 HB2 ASP 16 1.420 -18.642 -5.492 100 HB3 ASP 16 HB3 ASP 16 1.275 -17.191 -6.481 101 H LYS 17 H LYS 17 0.602 -15.983 -2.233 102 HA LYS 17 HA LYS 17 1.038 -13.266 -3.285 103 HB2 LYS 17 HB2 LYS 17 -0.354 -14.294 -0.841 104 HB3 LYS 17 HB3 LYS 17 0.347 -12.681 -0.821 105 HG2 LYS 17 HG2 LYS 17 -1.570 -13.575 -2.952 106 HG3 LYS 17 HG3 LYS 17 -2.102 -12.857 -1.430 107 HD2 LYS 17 HD2 LYS 17 -0.026 -11.461 -3.060 108 HD3 LYS 17 HD3 LYS 17 -1.719 -11.361 -3.549 109 HE2 LYS 17 HE2 LYS 17 -0.796 -10.733 -0.756 110 HE3 LYS 17 HE3 LYS 17 -0.855 -9.517 -2.031 111 HZ1 LYS 17 HZ1 LYS 17 -2.938 -9.218 -1.321 112 HZ2 LYS 17 HZ2 LYS 17 -3.006 -10.708 -0.523 113 HZ3 LYS 17 HZ3 LYS 17 -3.300 -10.626 -2.187 114 H CYS 18 H CYS 18 3.073 -15.350 -2.879 115 HA CYS 18 HA CYS 18 4.563 -14.631 -0.532 116 HB2 CYS 18 HB2 CYS 18 5.586 -16.139 -2.939 117 HB3 CYS 18 HB3 CYS 18 6.208 -16.191 -1.293 118 H CYS 19 H CYS 19 6.899 -13.945 -0.758 119 HA CYS 19 HA CYS 19 7.129 -11.850 -2.819 120 HB2 CYS 19 HB2 CYS 19 7.025 -11.496 -0.067 121 HB3 CYS 19 HB3 CYS 19 8.745 -11.404 -0.435 122 H ALA 20 H ALA 20 9.662 -11.079 -2.625 123 HA ALA 20 HA ALA 20 11.748 -11.585 -3.391 124 HB1 ALA 20 HB1 ALA 20 11.755 -12.455 -0.996 125 HB2 ALA 20 HB2 ALA 20 11.594 -14.064 -1.703 126 HB3 ALA 20 HB3 ALA 20 13.003 -13.071 -2.080 127 H ASN 21 H ASN 21 9.433 -12.664 -4.862 128 HA ASN 21 HA ASN 21 9.028 -13.969 -6.680 129 HB2 ASN 21 HB2 ASN 21 11.929 -14.751 -6.748 130 HB3 ASN 21 HB3 ASN 21 10.821 -14.500 -8.094 131 HD21 ASN 21 HD21 ASN 21 13.188 -13.127 -6.117 132 HD22 ASN 21 HD22 ASN 21 13.082 -11.503 -6.699 133 H LEU 22 H LEU 22 8.926 -15.095 -3.989 134 HA LEU 22 HA LEU 22 9.949 -17.742 -4.004 135 HB2 LEU 22 HB2 LEU 22 7.876 -16.311 -2.383 136 HB3 LEU 22 HB3 LEU 22 8.143 -18.042 -2.186 137 HG LEU 22 HG LEU 22 10.465 -16.182 -1.949 138 HD11 LEU 22 HD11 LEU 22 8.900 -16.795 0.497 139 HD12 LEU 22 HD12 LEU 22 8.333 -15.489 -0.543 140 HD13 LEU 22 HD13 LEU 22 9.959 -15.430 0.139 141 HD21 LEU 22 HD21 LEU 22 9.862 -18.951 -1.444 142 HD22 LEU 22 HD22 LEU 22 10.453 -18.164 0.020 143 HD23 LEU 22 HD23 LEU 22 11.421 -18.125 -1.455 144 H VAL 23 H VAL 23 8.164 -19.558 -3.513 145 HA VAL 23 HA VAL 23 6.091 -19.413 -5.592 146 HB VAL 23 HB VAL 23 7.934 -20.638 -6.586 147 HG11 VAL 23 HG11 VAL 23 7.812 -22.238 -4.050 148 HG12 VAL 23 HG12 VAL 23 8.537 -22.884 -5.523 149 HG13 VAL 23 HG13 VAL 23 9.198 -21.428 -4.779 150 HG21 VAL 23 HG21 VAL 23 6.701 -22.397 -7.411 151 HG22 VAL 23 HG22 VAL 23 6.013 -22.796 -5.837 152 HG23 VAL 23 HG23 VAL 23 5.431 -21.386 -6.722 153 H CYS 24 H CYS 24 4.208 -20.513 -5.157 154 HA CYS 24 HA CYS 24 3.899 -21.408 -2.389 155 HB2 CYS 24 HB2 CYS 24 2.374 -19.670 -3.552 156 HB3 CYS 24 HB3 CYS 24 1.653 -21.059 -4.358 157 H SER 25 H SER 25 4.611 -23.494 -2.331 158 HA SER 25 HA SER 25 4.210 -25.433 -4.312 159 HB2 SER 25 HB2 SER 25 5.888 -25.882 -2.703 160 HB3 SER 25 HB3 SER 25 4.778 -25.630 -1.357 161 HG SER 25 HG SER 25 4.904 -27.806 -3.156 162 H SER 26 H SER 26 2.421 -26.402 -4.970 163 HA SER 26 HA SER 26 -0.077 -26.048 -3.673 164 HB2 SER 26 HB2 SER 26 -0.947 -26.830 -5.606 165 HB3 SER 26 HB3 SER 26 0.708 -26.748 -6.210 166 HG SER 26 HG SER 26 0.830 -28.857 -6.175 167 H LYS 27 H LYS 27 2.460 -28.166 -3.083 168 HA LYS 27 HA LYS 27 0.771 -30.295 -2.022 169 HB2 LYS 27 HB2 LYS 27 3.722 -29.992 -2.484 170 HB3 LYS 27 HB3 LYS 27 3.110 -31.258 -1.427 171 HG2 LYS 27 HG2 LYS 27 1.941 -30.993 -4.148 172 HG3 LYS 27 HG3 LYS 27 3.551 -31.696 -3.978 173 HD2 LYS 27 HD2 LYS 27 2.270 -33.585 -3.795 174 HD3 LYS 27 HD3 LYS 27 2.360 -33.112 -2.097 175 HE2 LYS 27 HE2 LYS 27 0.177 -32.449 -2.025 176 HE3 LYS 27 HE3 LYS 27 0.145 -31.993 -3.728 177 HZ1 LYS 27 HZ1 LYS 27 -0.786 -34.347 -2.575 178 HZ2 LYS 27 HZ2 LYS 27 0.553 -34.768 -3.518 179 HZ3 LYS 27 HZ3 LYS 27 -0.748 -33.943 -4.217 180 H HIS 28 H HIS 28 3.596 -28.508 -0.770 181 HA HIS 28 HA HIS 28 2.869 -29.012 1.947 182 HB2 HIS 28 HB2 HIS 28 5.089 -27.757 0.516 183 HB3 HIS 28 HB3 HIS 28 4.688 -26.933 2.020 184 HD1 HIS 28 HD1 HIS 28 6.793 -29.506 0.815 185 HD2 HIS 28 HD2 HIS 28 4.472 -29.027 4.228 186 HE1 HIS 28 HE1 HIS 28 7.725 -31.128 2.495 187 H LYS 29 H LYS 29 1.979 -26.662 -0.359 188 HA LYS 29 HA LYS 29 0.696 -24.785 -0.274 189 HB2 LYS 29 HB2 LYS 29 -0.154 -25.738 2.461 190 HB3 LYS 29 HB3 LYS 29 -1.055 -24.706 1.358 191 HG2 LYS 29 HG2 LYS 29 -1.045 -26.688 -0.242 192 HG3 LYS 29 HG3 LYS 29 -0.515 -27.647 1.142 193 HD2 LYS 29 HD2 LYS 29 -2.505 -27.026 2.375 194 HD3 LYS 29 HD3 LYS 29 -3.016 -25.959 1.065 195 HE2 LYS 29 HE2 LYS 29 -4.202 -28.124 1.056 196 HE3 LYS 29 HE3 LYS 29 -3.282 -27.842 -0.421 197 HZ1 LYS 29 HZ1 LYS 29 -1.902 -29.543 0.013 198 HZ2 LYS 29 HZ2 LYS 29 -3.168 -30.099 0.987 199 HZ3 LYS 29 HZ3 LYS 29 -1.873 -29.260 1.680 200 H TRP 30 H TRP 30 3.101 -24.002 0.113 201 HA TRP 30 HA TRP 30 2.894 -21.850 2.005 202 HB2 TRP 30 HB2 TRP 30 4.902 -22.387 3.288 203 HB3 TRP 30 HB3 TRP 30 3.703 -23.666 3.462 204 HD1 TRP 30 HD1 TRP 30 4.953 -24.427 0.230 205 HE1 TRP 30 HE1 TRP 30 6.903 -26.106 0.283 206 HE3 TRP 30 HE3 TRP 30 6.204 -24.062 5.174 207 HZ2 TRP 30 HZ2 TRP 30 8.729 -27.139 2.171 208 HZ3 TRP 30 HZ3 TRP 30 8.064 -25.431 6.023 209 HH2 TRP 30 HH2 TRP 30 9.299 -26.937 4.551 210 H CYS 31 H CYS 31 4.947 -20.484 1.951 211 HA CYS 31 HA CYS 31 5.694 -20.149 -0.827 212 HB2 CYS 31 HB2 CYS 31 6.406 -18.520 1.622 213 HB3 CYS 31 HB3 CYS 31 6.777 -18.072 -0.040 214 H LYS 32 H LYS 32 7.037 -21.922 -1.227 215 HA LYS 32 HA LYS 32 9.544 -22.045 0.296 216 HB2 LYS 32 HB2 LYS 32 9.851 -24.255 -0.735 217 HB3 LYS 32 HB3 LYS 32 8.325 -24.151 0.133 218 HG2 LYS 32 HG2 LYS 32 7.393 -24.986 -1.703 219 HG3 LYS 32 HG3 LYS 32 7.638 -23.392 -2.420 220 HD2 LYS 32 HD2 LYS 32 8.531 -25.048 -3.913 221 HD3 LYS 32 HD3 LYS 32 9.875 -24.153 -3.200 222 HE2 LYS 32 HE2 LYS 32 10.502 -25.930 -1.842 223 HE3 LYS 32 HE3 LYS 32 8.920 -26.701 -1.954 224 HZ1 LYS 32 HZ1 LYS 32 11.206 -26.945 -3.685 225 HZ2 LYS 32 HZ2 LYS 32 9.757 -26.689 -4.519 226 HZ3 LYS 32 HZ3 LYS 32 9.903 -28.000 -3.460 227 H GLY 33 H GLY 33 11.379 -22.983 -1.295 228 HA2 GLY 33 HA2 GLY 33 11.716 -20.867 -3.283 229 HA3 GLY 33 HA3 GLY 33 12.978 -21.922 -2.664 230 H LYS 34 H LYS 34 11.311 -21.188 -5.357 231 HA LYS 34 HA LYS 34 10.659 -23.734 -6.421 232 HB2 LYS 34 HB2 LYS 34 9.918 -21.373 -7.199 233 HB3 LYS 34 HB3 LYS 34 11.421 -21.370 -8.112 234 HG2 LYS 34 HG2 LYS 34 10.709 -22.987 -9.562 235 HG3 LYS 34 HG3 LYS 34 9.597 -23.701 -8.392 236 HD2 LYS 34 HD2 LYS 34 8.260 -22.640 -10.041 237 HD3 LYS 34 HD3 LYS 34 8.206 -21.609 -8.609 238 HE2 LYS 34 HE2 LYS 34 10.169 -20.354 -9.709 239 HE3 LYS 34 HE3 LYS 34 9.682 -21.186 -11.185 240 HZ1 LYS 34 HZ1 LYS 34 7.342 -20.231 -10.369 241 HZ2 LYS 34 HZ2 LYS 34 8.376 -19.385 -11.406 242 HZ3 LYS 34 HZ3 LYS 34 8.364 -19.032 -9.752 243 H LEU 35 H LEU 35 12.134 -25.286 -6.661 244 HA LEU 35 HA LEU 35 14.893 -24.662 -7.263 245 HB2 LEU 35 HB2 LEU 35 13.353 -27.086 -6.516 246 HB3 LEU 35 HB3 LEU 35 14.858 -27.318 -7.402 247 HG LEU 35 HG LEU 35 15.096 -27.520 -4.941 248 HD11 LEU 35 HD11 LEU 35 17.108 -27.065 -5.973 249 HD12 LEU 35 HD12 LEU 35 16.981 -25.738 -4.820 250 HD13 LEU 35 HD13 LEU 35 16.590 -25.470 -6.518 251 HD21 LEU 35 HD21 LEU 35 13.458 -25.878 -4.245 252 HD22 LEU 35 HD22 LEU 35 14.400 -24.585 -4.988 253 HD23 LEU 35 HD23 LEU 35 15.044 -25.459 -3.597 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -0.802 -0.937 -0.644 2 HA2 GLY 1 HA2 GLY 1 1.527 0.314 -1.585 3 HA3 GLY 1 HA3 GLY 1 1.767 -0.078 0.111 4 H ASN 2 H ASN 2 3.241 -1.690 -0.048 5 HA ASN 2 HA ASN 2 2.879 -3.844 -1.948 6 HB2 ASN 2 HB2 ASN 2 4.938 -3.768 0.249 7 HB3 ASN 2 HB3 ASN 2 5.025 -4.591 -1.306 8 HD21 ASN 2 HD21 ASN 2 6.879 -2.707 -0.098 9 HD22 ASN 2 HD22 ASN 2 7.024 -1.393 -1.210 10 H ASP 3 H ASP 3 2.543 -6.019 -1.423 11 HA ASP 3 HA ASP 3 1.953 -6.754 1.318 12 HB2 ASP 3 HB2 ASP 3 -0.155 -6.476 -0.793 13 HB3 ASP 3 HB3 ASP 3 -0.312 -7.738 0.427 14 H CYS 4 H CYS 4 3.188 -8.510 1.471 15 HA CYS 4 HA CYS 4 2.644 -10.772 -0.250 16 HB2 CYS 4 HB2 CYS 4 5.152 -11.090 -0.655 17 HB3 CYS 4 HB3 CYS 4 4.339 -9.854 -1.609 18 H LEU 5 H LEU 5 4.259 -12.633 0.446 19 HA LEU 5 HA LEU 5 4.334 -12.608 3.391 20 HB2 LEU 5 HB2 LEU 5 4.045 -14.996 1.576 21 HB3 LEU 5 HB3 LEU 5 3.970 -14.995 3.337 22 HG LEU 5 HG LEU 5 1.981 -13.477 1.675 23 HD11 LEU 5 HD11 LEU 5 0.651 -15.717 2.444 24 HD12 LEU 5 HD12 LEU 5 2.235 -16.374 2.033 25 HD13 LEU 5 HD13 LEU 5 1.328 -15.449 0.837 26 HD21 LEU 5 HD21 LEU 5 1.711 -14.712 4.406 27 HD22 LEU 5 HD22 LEU 5 0.641 -13.545 3.630 28 HD23 LEU 5 HD23 LEU 5 2.257 -13.056 4.143 29 H GLY 6 H GLY 6 5.983 -14.068 4.361 30 HA2 GLY 6 HA2 GLY 6 8.529 -13.637 3.015 31 HA3 GLY 6 HA3 GLY 6 8.303 -14.155 4.679 32 H PHE 7 H PHE 7 9.838 -15.809 4.449 33 HA PHE 7 HA PHE 7 9.381 -17.882 2.473 34 HB2 PHE 7 HB2 PHE 7 11.644 -16.924 3.716 35 HB3 PHE 7 HB3 PHE 7 11.358 -18.440 4.564 36 HD1 PHE 7 HD1 PHE 7 10.858 -20.497 3.010 37 HD2 PHE 7 HD2 PHE 7 12.866 -16.955 1.772 38 HE1 PHE 7 HE1 PHE 7 11.883 -21.734 1.146 39 HE2 PHE 7 HE2 PHE 7 13.894 -18.185 -0.094 40 HZ PHE 7 HZ PHE 7 13.402 -20.578 -0.410 41 H TRP 8 H TRP 8 8.972 -20.073 2.975 42 HA TRP 8 HA TRP 8 7.755 -21.720 3.971 43 HB2 TRP 8 HB2 TRP 8 8.834 -20.668 6.584 44 HB3 TRP 8 HB3 TRP 8 8.418 -22.329 6.169 45 HD1 TRP 8 HD1 TRP 8 11.345 -20.229 6.599 46 HE1 TRP 8 HE1 TRP 8 13.409 -21.232 5.433 47 HE3 TRP 8 HE3 TRP 8 9.009 -23.688 3.648 48 HZ2 TRP 8 HZ2 TRP 8 13.972 -23.225 3.515 49 HZ3 TRP 8 HZ3 TRP 8 10.382 -25.103 2.176 50 HH2 TRP 8 HH2 TRP 8 12.812 -24.874 2.112 51 H SER 9 H SER 9 6.464 -19.128 3.622 52 HA SER 9 HA SER 9 4.662 -18.993 5.927 53 HB2 SER 9 HB2 SER 9 5.793 -16.952 4.673 54 HB3 SER 9 HB3 SER 9 4.413 -17.143 3.592 55 HG SER 9 HG SER 9 4.189 -16.904 6.408 56 H ALA 10 H ALA 10 2.765 -19.985 5.882 57 HA ALA 10 HA ALA 10 1.827 -21.586 3.844 58 HB1 ALA 10 HB1 ALA 10 1.033 -21.050 6.394 59 HB2 ALA 10 HB2 ALA 10 -0.304 -20.388 5.454 60 HB3 ALA 10 HB3 ALA 10 0.160 -22.078 5.257 61 H CYS 11 H CYS 11 0.552 -21.334 2.081 62 HA CYS 11 HA CYS 11 -0.861 -18.847 1.610 63 HB2 CYS 11 HB2 CYS 11 0.237 -18.559 -0.640 64 HB3 CYS 11 HB3 CYS 11 1.271 -18.202 0.740 65 H ASN 12 H ASN 12 -1.636 -19.036 -0.910 66 HA ASN 12 HA ASN 12 -2.938 -21.671 -1.048 67 HB2 ASN 12 HB2 ASN 12 -4.119 -19.213 -0.955 68 HB3 ASN 12 HB3 ASN 12 -4.037 -19.485 -2.693 69 HD21 ASN 12 HD21 ASN 12 -5.780 -20.377 -3.496 70 HD22 ASN 12 HD22 ASN 12 -6.825 -21.492 -2.690 71 HA PRO 13 HA PRO 13 -0.739 -22.538 -4.768 72 HB2 PRO 13 HB2 PRO 13 -2.381 -24.453 -5.771 73 HB3 PRO 13 HB3 PRO 13 -1.300 -24.735 -4.402 74 HG2 PRO 13 HG2 PRO 13 -4.230 -24.125 -4.407 75 HG3 PRO 13 HG3 PRO 13 -3.336 -25.309 -3.436 76 HD2 PRO 13 HD2 PRO 13 -4.104 -22.905 -2.456 77 HD3 PRO 13 HD3 PRO 13 -2.616 -23.719 -1.931 78 H LYS 14 H LYS 14 -3.991 -21.384 -4.709 79 HA LYS 14 HA LYS 14 -4.035 -20.974 -7.606 80 HB2 LYS 14 HB2 LYS 14 -6.221 -20.280 -5.648 81 HB3 LYS 14 HB3 LYS 14 -6.358 -20.498 -7.388 82 HG2 LYS 14 HG2 LYS 14 -5.715 -22.905 -7.023 83 HG3 LYS 14 HG3 LYS 14 -5.912 -22.606 -5.294 84 HD2 LYS 14 HD2 LYS 14 -8.242 -21.642 -6.089 85 HD3 LYS 14 HD3 LYS 14 -7.958 -22.725 -7.454 86 HE2 LYS 14 HE2 LYS 14 -7.675 -23.678 -4.624 87 HE3 LYS 14 HE3 LYS 14 -9.250 -23.623 -5.413 88 HZ1 LYS 14 HZ1 LYS 14 -8.714 -25.650 -6.136 89 HZ2 LYS 14 HZ2 LYS 14 -7.067 -25.458 -5.802 90 HZ3 LYS 14 HZ3 LYS 14 -7.711 -24.863 -7.249 91 H ASN 15 H ASN 15 -3.405 -19.311 -4.684 92 HA ASN 15 HA ASN 15 -3.107 -16.812 -6.179 93 HB2 ASN 15 HB2 ASN 15 -5.310 -16.873 -4.883 94 HB3 ASN 15 HB3 ASN 15 -4.328 -16.833 -3.421 95 HD21 ASN 15 HD21 ASN 15 -5.613 -14.842 -3.118 96 HD22 ASN 15 HD22 ASN 15 -4.999 -13.373 -3.790 97 H ASP 16 H ASP 16 -0.868 -17.221 -6.121 98 HA ASP 16 HA ASP 16 0.501 -17.583 -3.619 99 HB2 ASP 16 HB2 ASP 16 1.556 -18.597 -5.473 100 HB3 ASP 16 HB3 ASP 16 1.413 -17.141 -6.455 101 H LYS 17 H LYS 17 0.656 -15.971 -2.210 102 HA LYS 17 HA LYS 17 1.087 -13.242 -3.232 103 HB2 LYS 17 HB2 LYS 17 -0.297 -14.285 -0.780 104 HB3 LYS 17 HB3 LYS 17 0.329 -12.641 -0.818 105 HG2 LYS 17 HG2 LYS 17 -1.443 -13.590 -3.021 106 HG3 LYS 17 HG3 LYS 17 -2.143 -13.123 -1.470 107 HD2 LYS 17 HD2 LYS 17 -0.223 -11.336 -2.932 108 HD3 LYS 17 HD3 LYS 17 -1.951 -11.326 -3.292 109 HE2 LYS 17 HE2 LYS 17 -2.484 -10.680 -1.057 110 HE3 LYS 17 HE3 LYS 17 -0.823 -10.934 -0.526 111 HZ1 LYS 17 HZ1 LYS 17 -0.145 -8.978 -1.401 112 HZ2 LYS 17 HZ2 LYS 17 -1.763 -8.556 -1.149 113 HZ3 LYS 17 HZ3 LYS 17 -1.242 -9.024 -2.689 114 H CYS 18 H CYS 18 3.135 -15.308 -2.812 115 HA CYS 18 HA CYS 18 4.577 -14.596 -0.431 116 HB2 CYS 18 HB2 CYS 18 5.653 -16.076 -2.833 117 HB3 CYS 18 HB3 CYS 18 6.248 -16.135 -1.177 118 H CYS 19 H CYS 19 6.911 -13.890 -0.613 119 HA CYS 19 HA CYS 19 7.157 -11.776 -2.652 120 HB2 CYS 19 HB2 CYS 19 7.006 -11.445 0.101 121 HB3 CYS 19 HB3 CYS 19 8.730 -11.337 -0.238 122 H ALA 20 H ALA 20 9.680 -10.985 -2.411 123 HA ALA 20 HA ALA 20 11.783 -11.467 -3.148 124 HB1 ALA 20 HB1 ALA 20 11.569 -12.525 -0.730 125 HB2 ALA 20 HB2 ALA 20 11.818 -14.020 -1.632 126 HB3 ALA 20 HB3 ALA 20 13.020 -12.732 -1.712 127 H ASN 21 H ASN 21 9.498 -12.555 -4.663 128 HA ASN 21 HA ASN 21 9.132 -13.848 -6.498 129 HB2 ASN 21 HB2 ASN 21 12.037 -14.614 -6.538 130 HB3 ASN 21 HB3 ASN 21 10.946 -14.334 -7.893 131 HD21 ASN 21 HD21 ASN 21 13.502 -13.108 -6.303 132 HD22 ASN 21 HD22 ASN 21 13.319 -11.432 -6.680 133 H LEU 22 H LEU 22 8.999 -14.999 -3.820 134 HA LEU 22 HA LEU 22 10.050 -17.635 -3.840 135 HB2 LEU 22 HB2 LEU 22 7.932 -16.243 -2.242 136 HB3 LEU 22 HB3 LEU 22 8.222 -17.971 -2.053 137 HG LEU 22 HG LEU 22 10.511 -16.078 -1.765 138 HD11 LEU 22 HD11 LEU 22 9.080 -16.715 0.714 139 HD12 LEU 22 HD12 LEU 22 8.255 -15.573 -0.346 140 HD13 LEU 22 HD13 LEU 22 9.891 -15.230 0.216 141 HD21 LEU 22 HD21 LEU 22 10.495 -18.079 0.187 142 HD22 LEU 22 HD22 LEU 22 11.492 -18.006 -1.266 143 HD23 LEU 22 HD23 LEU 22 9.948 -18.860 -1.298 144 H VAL 23 H VAL 23 8.270 -19.470 -3.389 145 HA VAL 23 HA VAL 23 6.234 -19.330 -5.504 146 HB VAL 23 HB VAL 23 8.107 -20.533 -6.472 147 HG11 VAL 23 HG11 VAL 23 8.703 -22.784 -5.412 148 HG12 VAL 23 HG12 VAL 23 9.344 -21.328 -4.649 149 HG13 VAL 23 HG13 VAL 23 7.950 -22.151 -3.949 150 HG21 VAL 23 HG21 VAL 23 6.850 -22.180 -7.397 151 HG22 VAL 23 HG22 VAL 23 6.293 -22.786 -5.837 152 HG23 VAL 23 HG23 VAL 23 5.561 -21.341 -6.534 153 H CYS 24 H CYS 24 4.353 -20.449 -5.110 154 HA CYS 24 HA CYS 24 4.003 -21.366 -2.354 155 HB2 CYS 24 HB2 CYS 24 2.485 -19.631 -3.528 156 HB3 CYS 24 HB3 CYS 24 1.790 -21.018 -4.361 157 H SER 25 H SER 25 4.739 -23.445 -2.306 158 HA SER 25 HA SER 25 4.386 -25.373 -4.305 159 HB2 SER 25 HB2 SER 25 6.039 -25.811 -2.663 160 HB3 SER 25 HB3 SER 25 4.895 -25.595 -1.339 161 HG SER 25 HG SER 25 5.539 -27.844 -2.161 162 H SER 26 H SER 26 2.616 -26.349 -5.002 163 HA SER 26 HA SER 26 0.093 -26.026 -3.747 164 HB2 SER 26 HB2 SER 26 -0.733 -26.789 -5.705 165 HB3 SER 26 HB3 SER 26 0.934 -26.706 -6.275 166 HG SER 26 HG SER 26 0.823 -28.781 -6.504 167 H LYS 27 H LYS 27 2.637 -28.130 -3.132 168 HA LYS 27 HA LYS 27 0.946 -30.281 -2.118 169 HB2 LYS 27 HB2 LYS 27 3.879 -29.951 -2.607 170 HB3 LYS 27 HB3 LYS 27 3.334 -31.173 -1.465 171 HG2 LYS 27 HG2 LYS 27 2.417 -30.983 -4.326 172 HG3 LYS 27 HG3 LYS 27 3.706 -32.041 -3.749 173 HD2 LYS 27 HD2 LYS 27 1.902 -32.882 -2.074 174 HD3 LYS 27 HD3 LYS 27 0.763 -32.174 -3.222 175 HE2 LYS 27 HE2 LYS 27 2.226 -33.536 -4.955 176 HE3 LYS 27 HE3 LYS 27 2.581 -34.510 -3.529 177 HZ1 LYS 27 HZ1 LYS 27 0.641 -35.511 -3.791 178 HZ2 LYS 27 HZ2 LYS 27 0.281 -34.546 -5.133 179 HZ3 LYS 27 HZ3 LYS 27 -0.170 -34.041 -3.583 180 H HIS 28 H HIS 28 3.736 -28.484 -0.803 181 HA HIS 28 HA HIS 28 2.970 -29.018 1.896 182 HB2 HIS 28 HB2 HIS 28 5.201 -27.733 0.513 183 HB3 HIS 28 HB3 HIS 28 4.769 -26.922 2.015 184 HD1 HIS 28 HD1 HIS 28 7.262 -28.980 1.147 185 HD2 HIS 28 HD2 HIS 28 4.186 -29.524 3.886 186 HE1 HIS 28 HE1 HIS 28 8.092 -30.730 2.750 187 H LYS 29 H LYS 29 2.096 -26.655 -0.403 188 HA LYS 29 HA LYS 29 0.796 -24.790 -0.322 189 HB2 LYS 29 HB2 LYS 29 -0.094 -25.763 2.392 190 HB3 LYS 29 HB3 LYS 29 -0.987 -24.746 1.270 191 HG2 LYS 29 HG2 LYS 29 -0.936 -26.720 -0.326 192 HG3 LYS 29 HG3 LYS 29 -0.388 -27.678 1.052 193 HD2 LYS 29 HD2 LYS 29 -2.445 -26.694 2.264 194 HD3 LYS 29 HD3 LYS 29 -3.012 -26.284 0.643 195 HE2 LYS 29 HE2 LYS 29 -2.620 -28.715 0.045 196 HE3 LYS 29 HE3 LYS 29 -2.408 -29.009 1.770 197 HZ1 LYS 29 HZ1 LYS 29 -4.719 -29.333 0.735 198 HZ2 LYS 29 HZ2 LYS 29 -4.823 -27.645 0.771 199 HZ3 LYS 29 HZ3 LYS 29 -4.608 -28.509 2.209 200 H TRP 30 H TRP 30 3.186 -23.989 0.112 201 HA TRP 30 HA TRP 30 2.929 -21.857 2.020 202 HB2 TRP 30 HB2 TRP 30 4.920 -22.389 3.330 203 HB3 TRP 30 HB3 TRP 30 3.731 -23.680 3.473 204 HD1 TRP 30 HD1 TRP 30 5.040 -24.398 0.255 205 HE1 TRP 30 HE1 TRP 30 7.004 -26.060 0.324 206 HE3 TRP 30 HE3 TRP 30 6.207 -24.070 5.222 207 HZ2 TRP 30 HZ2 TRP 30 8.808 -27.096 2.232 208 HZ3 TRP 30 HZ3 TRP 30 8.065 -25.430 6.089 209 HH2 TRP 30 HH2 TRP 30 9.337 -26.911 4.623 210 H CYS 31 H CYS 31 4.971 -20.473 2.013 211 HA CYS 31 HA CYS 31 5.761 -20.106 -0.749 212 HB2 CYS 31 HB2 CYS 31 6.415 -18.490 1.724 213 HB3 CYS 31 HB3 CYS 31 6.807 -18.024 0.072 214 H LYS 32 H LYS 32 7.127 -21.864 -1.138 215 HA LYS 32 HA LYS 32 9.610 -21.973 0.427 216 HB2 LYS 32 HB2 LYS 32 9.956 -24.172 -0.617 217 HB3 LYS 32 HB3 LYS 32 8.418 -24.090 0.231 218 HG2 LYS 32 HG2 LYS 32 7.517 -24.919 -1.622 219 HG3 LYS 32 HG3 LYS 32 7.761 -23.319 -2.327 220 HD2 LYS 32 HD2 LYS 32 8.696 -24.927 -3.827 221 HD3 LYS 32 HD3 LYS 32 10.034 -24.075 -3.051 222 HE2 LYS 32 HE2 LYS 32 10.435 -26.492 -3.177 223 HE3 LYS 32 HE3 LYS 32 10.346 -25.926 -1.510 224 HZ1 LYS 32 HZ1 LYS 32 7.791 -26.726 -2.478 225 HZ2 LYS 32 HZ2 LYS 32 8.636 -27.260 -1.113 226 HZ3 LYS 32 HZ3 LYS 32 8.914 -27.985 -2.615 227 H GLY 33 H GLY 33 11.480 -22.883 -1.141 228 HA2 GLY 33 HA2 GLY 33 11.829 -20.750 -3.108 229 HA3 GLY 33 HA3 GLY 33 13.091 -21.799 -2.477 230 H LYS 34 H LYS 34 11.472 -21.057 -5.192 231 HA LYS 34 HA LYS 34 10.807 -23.565 -6.301 232 HB2 LYS 34 HB2 LYS 34 10.162 -21.217 -7.121 233 HB3 LYS 34 HB3 LYS 34 11.736 -21.191 -7.905 234 HG2 LYS 34 HG2 LYS 34 10.965 -23.449 -8.934 235 HG3 LYS 34 HG3 LYS 34 9.350 -22.881 -8.502 236 HD2 LYS 34 HD2 LYS 34 11.319 -21.292 -10.144 237 HD3 LYS 34 HD3 LYS 34 10.056 -22.316 -10.832 238 HE2 LYS 34 HE2 LYS 34 8.351 -20.938 -10.073 239 HE3 LYS 34 HE3 LYS 34 9.362 -20.205 -8.828 240 HZ1 LYS 34 HZ1 LYS 34 9.515 -19.734 -11.754 241 HZ2 LYS 34 HZ2 LYS 34 10.644 -19.143 -10.643 242 HZ3 LYS 34 HZ3 LYS 34 9.035 -18.628 -10.567 243 H LEU 35 H LEU 35 12.296 -25.150 -6.298 244 HA LEU 35 HA LEU 35 15.068 -24.804 -6.581 245 HB2 LEU 35 HB2 LEU 35 15.232 -27.121 -6.605 246 HB3 LEU 35 HB3 LEU 35 13.767 -26.809 -5.676 247 HG LEU 35 HG LEU 35 13.805 -27.613 -8.584 248 HD11 LEU 35 HD11 LEU 35 13.870 -29.187 -6.087 249 HD12 LEU 35 HD12 LEU 35 14.446 -29.592 -7.704 250 HD13 LEU 35 HD13 LEU 35 12.729 -29.716 -7.323 251 HD21 LEU 35 HD21 LEU 35 11.814 -26.414 -8.088 252 HD22 LEU 35 HD22 LEU 35 11.606 -27.264 -6.556 253 HD23 LEU 35 HD23 LEU 35 11.398 -28.128 -8.080 Start of MODEL 8 1 H1 GLY 1 H GLY 1 3.879 -0.208 3.602 2 HA2 GLY 1 HA2 GLY 1 3.280 0.274 1.171 3 HA3 GLY 1 HA3 GLY 1 4.792 -0.589 1.411 4 H ASN 2 H ASN 2 5.050 -2.412 0.308 5 HA ASN 2 HA ASN 2 3.056 -3.399 -1.426 6 HB2 ASN 2 HB2 ASN 2 5.617 -3.598 -1.624 7 HB3 ASN 2 HB3 ASN 2 5.461 -4.989 -0.556 8 HD21 ASN 2 HD21 ASN 2 6.421 -6.060 -2.451 9 HD22 ASN 2 HD22 ASN 2 5.359 -6.643 -3.683 10 H ASP 3 H ASP 3 2.428 -5.773 -1.456 11 HA ASP 3 HA ASP 3 1.845 -6.737 1.263 12 HB2 ASP 3 HB2 ASP 3 -0.170 -5.677 0.343 13 HB3 ASP 3 HB3 ASP 3 -0.074 -6.716 -1.076 14 H CYS 4 H CYS 4 3.115 -8.485 1.413 15 HA CYS 4 HA CYS 4 2.578 -10.733 -0.313 16 HB2 CYS 4 HB2 CYS 4 5.076 -11.057 -0.759 17 HB3 CYS 4 HB3 CYS 4 4.252 -9.818 -1.701 18 H LEU 5 H LEU 5 4.198 -12.594 0.364 19 HA LEU 5 HA LEU 5 4.324 -12.559 3.307 20 HB2 LEU 5 HB2 LEU 5 3.988 -14.950 1.505 21 HB3 LEU 5 HB3 LEU 5 3.953 -14.946 3.267 22 HG LEU 5 HG LEU 5 1.934 -13.416 1.655 23 HD11 LEU 5 HD11 LEU 5 2.023 -16.340 2.271 24 HD12 LEU 5 HD12 LEU 5 1.545 -15.521 0.784 25 HD13 LEU 5 HD13 LEU 5 0.479 -15.490 2.188 26 HD21 LEU 5 HD21 LEU 5 2.373 -13.158 4.200 27 HD22 LEU 5 HD22 LEU 5 1.533 -14.704 4.324 28 HD23 LEU 5 HD23 LEU 5 0.716 -13.310 3.617 29 H GLY 6 H GLY 6 5.990 -13.999 4.259 30 HA2 GLY 6 HA2 GLY 6 8.511 -13.593 2.863 31 HA3 GLY 6 HA3 GLY 6 8.312 -14.102 4.534 32 H PHE 7 H PHE 7 9.834 -15.765 4.288 33 HA PHE 7 HA PHE 7 9.338 -17.844 2.328 34 HB2 PHE 7 HB2 PHE 7 11.624 -16.890 3.530 35 HB3 PHE 7 HB3 PHE 7 11.344 -18.401 4.390 36 HD1 PHE 7 HD1 PHE 7 10.803 -20.462 2.850 37 HD2 PHE 7 HD2 PHE 7 12.822 -16.940 1.572 38 HE1 PHE 7 HE1 PHE 7 11.793 -21.713 0.977 39 HE2 PHE 7 HE2 PHE 7 13.815 -18.185 -0.303 40 HZ PHE 7 HZ PHE 7 13.300 -20.575 -0.603 41 H TRP 8 H TRP 8 8.918 -20.027 2.842 42 HA TRP 8 HA TRP 8 7.705 -21.663 3.863 43 HB2 TRP 8 HB2 TRP 8 8.849 -20.621 6.452 44 HB3 TRP 8 HB3 TRP 8 8.409 -22.277 6.046 45 HD1 TRP 8 HD1 TRP 8 11.364 -20.202 6.411 46 HE1 TRP 8 HE1 TRP 8 13.393 -21.225 5.202 47 HE3 TRP 8 HE3 TRP 8 8.934 -23.646 3.518 48 HZ2 TRP 8 HZ2 TRP 8 13.897 -23.226 3.276 49 HZ3 TRP 8 HZ3 TRP 8 10.262 -25.075 2.019 50 HH2 TRP 8 HH2 TRP 8 12.692 -24.868 1.901 51 H SER 9 H SER 9 6.386 -19.121 3.499 52 HA SER 9 HA SER 9 4.648 -18.949 5.855 53 HB2 SER 9 HB2 SER 9 5.764 -16.912 4.596 54 HB3 SER 9 HB3 SER 9 4.381 -17.101 3.518 55 HG SER 9 HG SER 9 3.189 -16.200 4.982 56 H ALA 10 H ALA 10 2.737 -19.916 5.848 57 HA ALA 10 HA ALA 10 1.753 -21.520 3.833 58 HB1 ALA 10 HB1 ALA 10 0.130 -22.004 5.293 59 HB2 ALA 10 HB2 ALA 10 0.995 -20.933 6.397 60 HB3 ALA 10 HB3 ALA 10 -0.359 -20.316 5.450 61 H CYS 11 H CYS 11 0.488 -21.259 2.072 62 HA CYS 11 HA CYS 11 -0.930 -18.770 1.617 63 HB2 CYS 11 HB2 CYS 11 0.146 -18.484 -0.642 64 HB3 CYS 11 HB3 CYS 11 1.198 -18.135 0.726 65 H ASN 12 H ASN 12 -1.724 -18.962 -0.900 66 HA ASN 12 HA ASN 12 -3.034 -21.594 -1.024 67 HB2 ASN 12 HB2 ASN 12 -4.213 -19.135 -0.912 68 HB3 ASN 12 HB3 ASN 12 -4.155 -19.407 -2.651 69 HD21 ASN 12 HD21 ASN 12 -5.872 -20.349 -3.453 70 HD22 ASN 12 HD22 ASN 12 -6.921 -21.444 -2.624 71 HA PRO 13 HA PRO 13 -0.883 -22.453 -4.774 72 HB2 PRO 13 HB2 PRO 13 -2.542 -24.360 -5.765 73 HB3 PRO 13 HB3 PRO 13 -1.445 -24.651 -4.409 74 HG2 PRO 13 HG2 PRO 13 -4.374 -24.033 -4.377 75 HG3 PRO 13 HG3 PRO 13 -3.471 -25.223 -3.421 76 HD2 PRO 13 HD2 PRO 13 -4.221 -22.820 -2.424 77 HD3 PRO 13 HD3 PRO 13 -2.730 -23.640 -1.919 78 H LYS 14 H LYS 14 -4.166 -21.351 -4.690 79 HA LYS 14 HA LYS 14 -4.230 -20.911 -7.578 80 HB2 LYS 14 HB2 LYS 14 -6.390 -20.236 -5.584 81 HB3 LYS 14 HB3 LYS 14 -6.553 -20.422 -7.325 82 HG2 LYS 14 HG2 LYS 14 -6.074 -22.808 -7.117 83 HG3 LYS 14 HG3 LYS 14 -5.911 -22.621 -5.370 84 HD2 LYS 14 HD2 LYS 14 -8.306 -21.602 -5.537 85 HD3 LYS 14 HD3 LYS 14 -8.362 -22.465 -7.076 86 HE2 LYS 14 HE2 LYS 14 -7.933 -24.560 -5.971 87 HE3 LYS 14 HE3 LYS 14 -7.681 -23.741 -4.430 88 HZ1 LYS 14 HZ1 LYS 14 -9.988 -23.058 -4.442 89 HZ2 LYS 14 HZ2 LYS 14 -9.884 -24.740 -4.582 90 HZ3 LYS 14 HZ3 LYS 14 -10.237 -23.799 -5.943 91 H ASN 15 H ASN 15 -3.537 -19.258 -4.672 92 HA ASN 15 HA ASN 15 -3.267 -16.755 -6.163 93 HB2 ASN 15 HB2 ASN 15 -5.456 -16.816 -4.842 94 HB3 ASN 15 HB3 ASN 15 -4.458 -16.779 -3.391 95 HD21 ASN 15 HD21 ASN 15 -4.085 -14.855 -2.582 96 HD22 ASN 15 HD22 ASN 15 -4.117 -13.360 -3.447 97 H ASP 16 H ASP 16 -1.027 -17.182 -6.129 98 HA ASP 16 HA ASP 16 0.369 -17.542 -3.644 99 HB2 ASP 16 HB2 ASP 16 1.400 -18.555 -5.512 100 HB3 ASP 16 HB3 ASP 16 1.251 -17.098 -6.489 101 H LYS 17 H LYS 17 0.542 -15.932 -2.235 102 HA LYS 17 HA LYS 17 0.963 -13.202 -3.259 103 HB2 LYS 17 HB2 LYS 17 -0.272 -14.186 -0.687 104 HB3 LYS 17 HB3 LYS 17 0.176 -12.506 -0.950 105 HG2 LYS 17 HG2 LYS 17 -1.706 -13.998 -2.757 106 HG3 LYS 17 HG3 LYS 17 -2.240 -13.082 -1.345 107 HD2 LYS 17 HD2 LYS 17 -0.507 -11.815 -3.438 108 HD3 LYS 17 HD3 LYS 17 -2.255 -11.928 -3.656 109 HE2 LYS 17 HE2 LYS 17 -1.142 -10.825 -1.112 110 HE3 LYS 17 HE3 LYS 17 -1.200 -9.810 -2.552 111 HZ1 LYS 17 HZ1 LYS 17 -3.198 -9.394 -1.470 112 HZ2 LYS 17 HZ2 LYS 17 -3.446 -11.017 -1.063 113 HZ3 LYS 17 HZ3 LYS 17 -3.634 -10.509 -2.665 114 H CYS 18 H CYS 18 3.015 -15.270 -2.870 115 HA CYS 18 HA CYS 18 4.491 -14.563 -0.509 116 HB2 CYS 18 HB2 CYS 18 5.530 -16.041 -2.928 117 HB3 CYS 18 HB3 CYS 18 6.153 -16.101 -1.283 118 H CYS 19 H CYS 19 6.838 -13.880 -0.743 119 HA CYS 19 HA CYS 19 7.054 -11.757 -2.777 120 HB2 CYS 19 HB2 CYS 19 6.934 -11.421 -0.025 121 HB3 CYS 19 HB3 CYS 19 8.655 -11.321 -0.380 122 H ALA 20 H ALA 20 9.578 -10.969 -2.575 123 HA ALA 20 HA ALA 20 11.671 -11.455 -3.337 124 HB1 ALA 20 HB1 ALA 20 11.918 -12.206 -1.030 125 HB2 ALA 20 HB2 ALA 20 11.350 -13.813 -1.484 126 HB3 ALA 20 HB3 ALA 20 12.875 -13.203 -2.126 127 H ASN 21 H ASN 21 9.367 -12.546 -4.819 128 HA ASN 21 HA ASN 21 8.979 -13.841 -6.647 129 HB2 ASN 21 HB2 ASN 21 11.886 -14.605 -6.704 130 HB3 ASN 21 HB3 ASN 21 10.782 -14.360 -8.054 131 HD21 ASN 21 HD21 ASN 21 13.352 -13.091 -6.541 132 HD22 ASN 21 HD22 ASN 21 13.150 -11.421 -6.935 133 H LEU 22 H LEU 22 8.877 -14.981 -3.959 134 HA LEU 22 HA LEU 22 9.912 -17.624 -3.987 135 HB2 LEU 22 HB2 LEU 22 7.830 -16.211 -2.361 136 HB3 LEU 22 HB3 LEU 22 8.107 -17.941 -2.172 137 HG LEU 22 HG LEU 22 10.415 -16.066 -1.923 138 HD11 LEU 22 HD11 LEU 22 9.893 -15.314 0.154 139 HD12 LEU 22 HD12 LEU 22 8.883 -16.710 0.530 140 HD13 LEU 22 HD13 LEU 22 8.260 -15.426 -0.505 141 HD21 LEU 22 HD21 LEU 22 10.417 -18.065 0.031 142 HD22 LEU 22 HD22 LEU 22 11.390 -18.002 -1.439 143 HD23 LEU 22 HD23 LEU 22 9.839 -18.843 -1.443 144 H VAL 23 H VAL 23 8.139 -19.452 -3.511 145 HA VAL 23 HA VAL 23 6.068 -19.304 -5.592 146 HB VAL 23 HB VAL 23 7.924 -20.520 -6.581 147 HG11 VAL 23 HG11 VAL 23 9.175 -21.327 -4.776 148 HG12 VAL 23 HG12 VAL 23 7.781 -22.133 -4.053 149 HG13 VAL 23 HG13 VAL 23 8.508 -22.778 -5.525 150 HG21 VAL 23 HG21 VAL 23 5.419 -21.264 -6.738 151 HG22 VAL 23 HG22 VAL 23 6.692 -22.269 -7.431 152 HG23 VAL 23 HG23 VAL 23 5.996 -22.683 -5.864 153 H CYS 24 H CYS 24 4.189 -20.421 -5.172 154 HA CYS 24 HA CYS 24 3.874 -21.326 -2.406 155 HB2 CYS 24 HB2 CYS 24 2.349 -19.583 -3.561 156 HB3 CYS 24 HB3 CYS 24 1.633 -20.968 -4.379 157 H SER 25 H SER 25 4.585 -23.410 -2.354 158 HA SER 25 HA SER 25 4.191 -25.340 -4.348 159 HB2 SER 25 HB2 SER 25 5.867 -25.813 -2.755 160 HB3 SER 25 HB3 SER 25 4.776 -25.535 -1.398 161 HG SER 25 HG SER 25 4.988 -27.758 -3.094 162 H SER 26 H SER 26 2.405 -26.312 -5.010 163 HA SER 26 HA SER 26 -0.094 -25.967 -3.714 164 HB2 SER 26 HB2 SER 26 -0.960 -26.741 -5.652 165 HB3 SER 26 HB3 SER 26 0.696 -26.658 -6.253 166 HG SER 26 HG SER 26 0.946 -28.843 -5.668 167 H LYS 27 H LYS 27 2.447 -28.083 -3.132 168 HA LYS 27 HA LYS 27 0.760 -30.219 -2.079 169 HB2 LYS 27 HB2 LYS 27 3.702 -29.909 -2.572 170 HB3 LYS 27 HB3 LYS 27 3.123 -31.157 -1.476 171 HG2 LYS 27 HG2 LYS 27 2.141 -30.876 -4.303 172 HG3 LYS 27 HG3 LYS 27 3.524 -31.875 -3.850 173 HD2 LYS 27 HD2 LYS 27 0.802 -32.178 -2.599 174 HD3 LYS 27 HD3 LYS 27 1.302 -33.070 -4.037 175 HE2 LYS 27 HE2 LYS 27 2.650 -33.136 -1.339 176 HE3 LYS 27 HE3 LYS 27 1.630 -34.402 -2.022 177 HZ1 LYS 27 HZ1 LYS 27 4.349 -33.589 -2.806 178 HZ2 LYS 27 HZ2 LYS 27 3.338 -34.338 -3.936 179 HZ3 LYS 27 HZ3 LYS 27 3.743 -35.139 -2.503 180 H HIS 28 H HIS 28 3.582 -28.433 -0.820 181 HA HIS 28 HA HIS 28 2.858 -28.949 1.895 182 HB2 HIS 28 HB2 HIS 28 5.071 -27.674 0.468 183 HB3 HIS 28 HB3 HIS 28 4.670 -26.867 1.981 184 HD1 HIS 28 HD1 HIS 28 5.938 -30.126 0.625 185 HD2 HIS 28 HD2 HIS 28 5.317 -28.273 4.291 186 HE1 HIS 28 HE1 HIS 28 7.095 -31.581 2.318 187 H LYS 29 H LYS 29 1.959 -26.592 -0.401 188 HA LYS 29 HA LYS 29 0.672 -24.719 -0.307 189 HB2 LYS 29 HB2 LYS 29 -0.181 -25.680 2.423 190 HB3 LYS 29 HB3 LYS 29 -1.086 -24.657 1.314 191 HG2 LYS 29 HG2 LYS 29 -1.104 -26.617 -0.278 192 HG3 LYS 29 HG3 LYS 29 -0.491 -27.590 1.061 193 HD2 LYS 29 HD2 LYS 29 -2.501 -26.631 2.373 194 HD3 LYS 29 HD3 LYS 29 -3.140 -26.212 0.782 195 HE2 LYS 29 HE2 LYS 29 -3.110 -28.504 0.095 196 HE3 LYS 29 HE3 LYS 29 -2.242 -28.983 1.552 197 HZ1 LYS 29 HZ1 LYS 29 -4.612 -27.645 2.271 198 HZ2 LYS 29 HZ2 LYS 29 -4.160 -29.241 2.598 199 HZ3 LYS 29 HZ3 LYS 29 -4.992 -28.873 1.171 200 H TRP 30 H TRP 30 3.072 -23.929 0.087 201 HA TRP 30 HA TRP 30 2.856 -21.789 1.992 202 HB2 TRP 30 HB2 TRP 30 4.865 -22.327 3.273 203 HB3 TRP 30 HB3 TRP 30 3.670 -23.611 3.439 204 HD1 TRP 30 HD1 TRP 30 4.925 -24.348 0.204 205 HE1 TRP 30 HE1 TRP 30 6.881 -26.020 0.248 206 HE3 TRP 30 HE3 TRP 30 6.172 -24.008 5.150 207 HZ2 TRP 30 HZ2 TRP 30 8.710 -27.059 2.131 208 HZ3 TRP 30 HZ3 TRP 30 8.037 -25.374 5.993 209 HH2 TRP 30 HH2 TRP 30 9.278 -26.868 4.513 210 H CYS 31 H CYS 31 4.904 -20.415 1.948 211 HA CYS 31 HA CYS 31 5.653 -20.062 -0.827 212 HB2 CYS 31 HB2 CYS 31 6.368 -18.442 1.627 213 HB3 CYS 31 HB3 CYS 31 6.714 -17.981 -0.037 214 H LYS 32 H LYS 32 7.003 -21.829 -1.233 215 HA LYS 32 HA LYS 32 9.509 -21.947 0.292 216 HB2 LYS 32 HB2 LYS 32 9.826 -24.152 -0.746 217 HB3 LYS 32 HB3 LYS 32 8.297 -24.057 0.119 218 HG2 LYS 32 HG2 LYS 32 7.375 -24.890 -1.723 219 HG3 LYS 32 HG3 LYS 32 7.614 -23.291 -2.432 220 HD2 LYS 32 HD2 LYS 32 8.518 -24.938 -3.930 221 HD3 LYS 32 HD3 LYS 32 9.856 -24.038 -3.211 222 HE2 LYS 32 HE2 LYS 32 10.407 -25.821 -1.768 223 HE3 LYS 32 HE3 LYS 32 8.883 -26.649 -2.082 224 HZ1 LYS 32 HZ1 LYS 32 11.311 -26.544 -3.706 225 HZ2 LYS 32 HZ2 LYS 32 9.831 -26.618 -4.522 226 HZ3 LYS 32 HZ3 LYS 32 10.254 -27.835 -3.426 227 H GLY 33 H GLY 33 11.348 -22.874 -1.304 228 HA2 GLY 33 HA2 GLY 33 11.680 -20.747 -3.279 229 HA3 GLY 33 HA3 GLY 33 12.944 -21.804 -2.668 230 H LYS 34 H LYS 34 11.301 -21.051 -5.361 231 HA LYS 34 HA LYS 34 10.594 -23.557 -6.454 232 HB2 LYS 34 HB2 LYS 34 10.027 -21.136 -7.246 233 HB3 LYS 34 HB3 LYS 34 11.532 -21.264 -8.148 234 HG2 LYS 34 HG2 LYS 34 10.711 -22.877 -9.559 235 HG3 LYS 34 HG3 LYS 34 9.502 -23.431 -8.398 236 HD2 LYS 34 HD2 LYS 34 8.398 -22.270 -10.201 237 HD3 LYS 34 HD3 LYS 34 8.275 -21.303 -8.729 238 HE2 LYS 34 HE2 LYS 34 10.095 -19.885 -9.477 239 HE3 LYS 34 HE3 LYS 34 10.316 -20.886 -10.911 240 HZ1 LYS 34 HZ1 LYS 34 9.067 -18.972 -11.520 241 HZ2 LYS 34 HZ2 LYS 34 7.967 -19.197 -10.256 242 HZ3 LYS 34 HZ3 LYS 34 8.007 -20.291 -11.546 243 H LEU 35 H LEU 35 12.046 -25.164 -6.532 244 HA LEU 35 HA LEU 35 14.733 -24.569 -7.573 245 HB2 LEU 35 HB2 LEU 35 14.900 -25.532 -5.423 246 HB3 LEU 35 HB3 LEU 35 13.692 -26.759 -5.798 247 HG LEU 35 HG LEU 35 15.311 -27.790 -7.377 248 HD11 LEU 35 HD11 LEU 35 17.354 -26.955 -7.806 249 HD12 LEU 35 HD12 LEU 35 17.578 -26.366 -6.159 250 HD13 LEU 35 HD13 LEU 35 16.619 -25.431 -7.306 251 HD21 LEU 35 HD21 LEU 35 16.262 -27.493 -4.529 252 HD22 LEU 35 HD22 LEU 35 16.730 -28.776 -5.646 253 HD23 LEU 35 HD23 LEU 35 15.056 -28.643 -5.107 Start of MODEL 9 1 H1 GLY 1 H GLY 1 1.719 -0.291 0.984 2 HA2 GLY 1 HA2 GLY 1 1.941 0.687 -1.790 3 HA3 GLY 1 HA3 GLY 1 3.270 0.606 -0.643 4 H ASN 2 H ASN 2 2.525 -2.070 0.293 5 HA ASN 2 HA ASN 2 2.695 -3.797 -2.011 6 HB2 ASN 2 HB2 ASN 2 4.874 -4.828 -0.990 7 HB3 ASN 2 HB3 ASN 2 4.985 -3.419 -2.041 8 HD21 ASN 2 HD21 ASN 2 6.346 -1.960 -1.335 9 HD22 ASN 2 HD22 ASN 2 6.680 -1.585 0.318 10 H ASP 3 H ASP 3 2.384 -5.997 -1.505 11 HA ASP 3 HA ASP 3 1.994 -6.735 1.283 12 HB2 ASP 3 HB2 ASP 3 -0.207 -6.402 -0.694 13 HB3 ASP 3 HB3 ASP 3 -0.291 -7.790 0.388 14 H CYS 4 H CYS 4 3.173 -8.518 1.452 15 HA CYS 4 HA CYS 4 2.644 -10.763 -0.296 16 HB2 CYS 4 HB2 CYS 4 5.158 -11.082 -0.668 17 HB3 CYS 4 HB3 CYS 4 4.360 -9.838 -1.624 18 H LEU 5 H LEU 5 4.244 -12.634 0.403 19 HA LEU 5 HA LEU 5 4.275 -12.641 3.349 20 HB2 LEU 5 HB2 LEU 5 4.019 -15.010 1.504 21 HB3 LEU 5 HB3 LEU 5 3.913 -15.027 3.263 22 HG LEU 5 HG LEU 5 1.952 -13.481 1.598 23 HD11 LEU 5 HD11 LEU 5 1.535 -15.529 0.664 24 HD12 LEU 5 HD12 LEU 5 0.514 -15.617 2.099 25 HD13 LEU 5 HD13 LEU 5 2.087 -16.415 2.086 26 HD21 LEU 5 HD21 LEU 5 1.587 -14.806 4.271 27 HD22 LEU 5 HD22 LEU 5 0.592 -13.559 3.519 28 HD23 LEU 5 HD23 LEU 5 2.209 -13.164 4.103 29 H GLY 6 H GLY 6 5.913 -14.090 4.336 30 HA2 GLY 6 HA2 GLY 6 8.478 -13.654 3.028 31 HA3 GLY 6 HA3 GLY 6 8.228 -14.178 4.687 32 H PHE 7 H PHE 7 9.767 -15.829 4.475 33 HA PHE 7 HA PHE 7 9.347 -17.895 2.484 34 HB2 PHE 7 HB2 PHE 7 11.586 -16.942 3.772 35 HB3 PHE 7 HB3 PHE 7 11.284 -18.460 4.610 36 HD1 PHE 7 HD1 PHE 7 10.810 -20.512 3.039 37 HD2 PHE 7 HD2 PHE 7 12.848 -16.968 1.853 38 HE1 PHE 7 HE1 PHE 7 11.870 -21.744 1.191 39 HE2 PHE 7 HE2 PHE 7 13.910 -18.194 0.003 40 HZ PHE 7 HZ PHE 7 13.422 -20.584 -0.330 41 H TRP 8 H TRP 8 8.925 -20.086 2.967 42 HA TRP 8 HA TRP 8 7.688 -21.738 3.932 43 HB2 TRP 8 HB2 TRP 8 8.726 -20.702 6.568 44 HB3 TRP 8 HB3 TRP 8 8.312 -22.359 6.138 45 HD1 TRP 8 HD1 TRP 8 11.237 -20.268 6.626 46 HE1 TRP 8 HE1 TRP 8 13.318 -21.271 5.489 47 HE3 TRP 8 HE3 TRP 8 8.941 -23.709 3.622 48 HZ2 TRP 8 HZ2 TRP 8 13.907 -23.257 3.572 49 HZ3 TRP 8 HZ3 TRP 8 10.335 -25.121 2.167 50 HH2 TRP 8 HH2 TRP 8 12.767 -24.898 2.143 51 H SER 9 H SER 9 6.384 -19.175 3.552 52 HA SER 9 HA SER 9 4.553 -19.035 5.835 53 HB2 SER 9 HB2 SER 9 5.696 -16.988 4.617 54 HB3 SER 9 HB3 SER 9 4.353 -17.186 3.491 55 HG SER 9 HG SER 9 3.066 -16.361 4.927 56 H ALA 10 H ALA 10 2.669 -20.047 5.760 57 HA ALA 10 HA ALA 10 1.766 -21.636 3.694 58 HB1 ALA 10 HB1 ALA 10 -0.539 -20.784 5.045 59 HB2 ALA 10 HB2 ALA 10 0.415 -22.237 5.348 60 HB3 ALA 10 HB3 ALA 10 0.765 -20.751 6.232 61 H CYS 11 H CYS 11 0.588 -21.354 1.884 62 HA CYS 11 HA CYS 11 -0.864 -18.874 1.440 63 HB2 CYS 11 HB2 CYS 11 0.256 -18.571 -0.800 64 HB3 CYS 11 HB3 CYS 11 1.271 -18.214 0.594 65 H ASN 12 H ASN 12 -1.604 -19.047 -1.097 66 HA ASN 12 HA ASN 12 -2.911 -21.678 -1.264 67 HB2 ASN 12 HB2 ASN 12 -4.085 -19.214 -1.180 68 HB3 ASN 12 HB3 ASN 12 -3.983 -19.486 -2.917 69 HD21 ASN 12 HD21 ASN 12 -5.661 -20.454 -3.775 70 HD22 ASN 12 HD22 ASN 12 -6.742 -21.534 -2.969 71 HA PRO 13 HA PRO 13 -0.665 -22.538 -4.957 72 HB2 PRO 13 HB2 PRO 13 -2.302 -24.439 -5.994 73 HB3 PRO 13 HB3 PRO 13 -1.242 -24.734 -4.610 74 HG2 PRO 13 HG2 PRO 13 -4.169 -24.109 -4.654 75 HG3 PRO 13 HG3 PRO 13 -3.295 -25.302 -3.677 76 HD2 PRO 13 HD2 PRO 13 -4.064 -22.899 -2.696 77 HD3 PRO 13 HD3 PRO 13 -2.589 -23.723 -2.153 78 H LYS 14 H LYS 14 -3.882 -21.319 -4.925 79 HA LYS 14 HA LYS 14 -3.880 -20.898 -7.825 80 HB2 LYS 14 HB2 LYS 14 -6.103 -20.291 -5.875 81 HB3 LYS 14 HB3 LYS 14 -6.216 -20.381 -7.628 82 HG2 LYS 14 HG2 LYS 14 -5.619 -22.802 -7.461 83 HG3 LYS 14 HG3 LYS 14 -5.754 -22.650 -5.707 84 HD2 LYS 14 HD2 LYS 14 -8.027 -21.678 -7.353 85 HD3 LYS 14 HD3 LYS 14 -7.795 -23.423 -7.229 86 HE2 LYS 14 HE2 LYS 14 -7.662 -21.849 -4.720 87 HE3 LYS 14 HE3 LYS 14 -9.245 -22.030 -5.475 88 HZ1 LYS 14 HZ1 LYS 14 -7.481 -24.101 -4.355 89 HZ2 LYS 14 HZ2 LYS 14 -8.589 -24.512 -5.564 90 HZ3 LYS 14 HZ3 LYS 14 -9.136 -23.856 -4.104 91 H ASN 15 H ASN 15 -3.355 -19.271 -4.855 92 HA ASN 15 HA ASN 15 -3.044 -16.745 -6.310 93 HB2 ASN 15 HB2 ASN 15 -5.251 -16.847 -5.029 94 HB3 ASN 15 HB3 ASN 15 -4.281 -16.836 -3.560 95 HD21 ASN 15 HD21 ASN 15 -6.134 -14.919 -5.215 96 HD22 ASN 15 HD22 ASN 15 -5.308 -13.409 -5.073 97 H ASP 16 H ASP 16 -0.797 -17.205 -6.242 98 HA ASP 16 HA ASP 16 0.552 -17.562 -3.731 99 HB2 ASP 16 HB2 ASP 16 1.627 -18.585 -5.560 100 HB3 ASP 16 HB3 ASP 16 1.475 -17.146 -6.565 101 H LYS 17 H LYS 17 0.705 -15.948 -2.324 102 HA LYS 17 HA LYS 17 1.162 -13.224 -3.348 103 HB2 LYS 17 HB2 LYS 17 -0.134 -14.183 -0.796 104 HB3 LYS 17 HB3 LYS 17 0.314 -12.505 -1.075 105 HG2 LYS 17 HG2 LYS 17 -1.145 -13.171 -3.322 106 HG3 LYS 17 HG3 LYS 17 -1.989 -13.995 -2.009 107 HD2 LYS 17 HD2 LYS 17 -1.157 -11.137 -1.701 108 HD3 LYS 17 HD3 LYS 17 -2.617 -11.541 -2.606 109 HE2 LYS 17 HE2 LYS 17 -2.068 -12.488 0.201 110 HE3 LYS 17 HE3 LYS 17 -2.979 -11.027 -0.178 111 HZ1 LYS 17 HZ1 LYS 17 -3.710 -13.839 -0.650 112 HZ2 LYS 17 HZ2 LYS 17 -4.380 -12.624 -1.617 113 HZ3 LYS 17 HZ3 LYS 17 -4.622 -12.602 0.057 114 H CYS 18 H CYS 18 3.179 -15.326 -2.875 115 HA CYS 18 HA CYS 18 4.601 -14.616 -0.487 116 HB2 CYS 18 HB2 CYS 18 5.703 -16.093 -2.879 117 HB3 CYS 18 HB3 CYS 18 6.272 -16.164 -1.214 118 H CYS 19 H CYS 19 6.893 -13.861 -0.581 119 HA CYS 19 HA CYS 19 7.193 -11.762 -2.629 120 HB2 CYS 19 HB2 CYS 19 6.998 -11.444 0.122 121 HB3 CYS 19 HB3 CYS 19 8.727 -11.337 -0.187 122 H ALA 20 H ALA 20 9.717 -10.976 -2.328 123 HA ALA 20 HA ALA 20 11.830 -11.457 -3.035 124 HB1 ALA 20 HB1 ALA 20 11.888 -12.286 -0.689 125 HB2 ALA 20 HB2 ALA 20 11.531 -13.902 -1.299 126 HB3 ALA 20 HB3 ALA 20 13.029 -13.095 -1.763 127 H ASN 21 H ASN 21 9.586 -12.512 -4.613 128 HA ASN 21 HA ASN 21 9.243 -13.801 -6.455 129 HB2 ASN 21 HB2 ASN 21 12.147 -14.566 -6.464 130 HB3 ASN 21 HB3 ASN 21 11.076 -14.261 -7.829 131 HD21 ASN 21 HD21 ASN 21 13.542 -13.035 -6.009 132 HD22 ASN 21 HD22 ASN 21 13.397 -11.366 -6.429 133 H LEU 22 H LEU 22 9.070 -14.975 -3.791 134 HA LEU 22 HA LEU 22 10.131 -17.608 -3.815 135 HB2 LEU 22 HB2 LEU 22 7.979 -16.238 -2.242 136 HB3 LEU 22 HB3 LEU 22 8.277 -17.965 -2.061 137 HG LEU 22 HG LEU 22 10.547 -16.057 -1.721 138 HD11 LEU 22 HD11 LEU 22 9.922 -15.289 0.307 139 HD12 LEU 22 HD12 LEU 22 9.008 -16.744 0.701 140 HD13 LEU 22 HD13 LEU 22 8.303 -15.518 -0.353 141 HD21 LEU 22 HD21 LEU 22 10.004 -18.847 -1.293 142 HD22 LEU 22 HD22 LEU 22 10.512 -18.080 0.212 143 HD23 LEU 22 HD23 LEU 22 11.538 -17.980 -1.219 144 H VAL 23 H VAL 23 8.347 -19.451 -3.406 145 HA VAL 23 HA VAL 23 6.351 -19.301 -5.559 146 HB VAL 23 HB VAL 23 8.247 -20.498 -6.493 147 HG11 VAL 23 HG11 VAL 23 9.443 -21.309 -4.654 148 HG12 VAL 23 HG12 VAL 23 8.032 -22.128 -3.982 149 HG13 VAL 23 HG13 VAL 23 8.812 -22.759 -5.433 150 HG21 VAL 23 HG21 VAL 23 5.701 -21.301 -6.615 151 HG22 VAL 23 HG22 VAL 23 7.006 -22.134 -7.460 152 HG23 VAL 23 HG23 VAL 23 6.418 -22.753 -5.917 153 H CYS 24 H CYS 24 4.465 -20.432 -5.211 154 HA CYS 24 HA CYS 24 4.061 -21.359 -2.465 155 HB2 CYS 24 HB2 CYS 24 2.564 -19.621 -3.663 156 HB3 CYS 24 HB3 CYS 24 1.887 -21.006 -4.512 157 H SER 25 H SER 25 4.793 -23.438 -2.407 158 HA SER 25 HA SER 25 4.483 -25.357 -4.424 159 HB2 SER 25 HB2 SER 25 6.106 -25.799 -2.753 160 HB3 SER 25 HB3 SER 25 4.936 -25.593 -1.450 161 HG SER 25 HG SER 25 5.232 -27.742 -3.250 162 H SER 26 H SER 26 2.727 -26.330 -5.159 163 HA SER 26 HA SER 26 0.181 -26.017 -3.947 164 HB2 SER 26 HB2 SER 26 1.265 -27.290 -6.374 165 HB3 SER 26 HB3 SER 26 -0.194 -28.047 -5.736 166 HG SER 26 HG SER 26 0.063 -25.734 -7.081 167 H LYS 27 H LYS 27 2.716 -28.121 -3.298 168 HA LYS 27 HA LYS 27 1.010 -30.281 -2.329 169 HB2 LYS 27 HB2 LYS 27 3.289 -30.541 -3.569 170 HB3 LYS 27 HB3 LYS 27 3.991 -30.191 -1.995 171 HG2 LYS 27 HG2 LYS 27 3.933 -32.479 -1.961 172 HG3 LYS 27 HG3 LYS 27 2.398 -32.090 -1.180 173 HD2 LYS 27 HD2 LYS 27 1.576 -32.159 -3.724 174 HD3 LYS 27 HD3 LYS 27 2.937 -33.277 -3.841 175 HE2 LYS 27 HE2 LYS 27 1.850 -34.290 -1.665 176 HE3 LYS 27 HE3 LYS 27 0.398 -33.518 -2.302 177 HZ1 LYS 27 HZ1 LYS 27 0.439 -35.714 -3.131 178 HZ2 LYS 27 HZ2 LYS 27 2.058 -35.597 -3.608 179 HZ3 LYS 27 HZ3 LYS 27 0.869 -34.718 -4.429 180 H HIS 28 H HIS 28 3.771 -28.486 -0.950 181 HA HIS 28 HA HIS 28 2.953 -29.036 1.731 182 HB2 HIS 28 HB2 HIS 28 5.212 -27.747 0.399 183 HB3 HIS 28 HB3 HIS 28 4.748 -26.938 1.893 184 HD1 HIS 28 HD1 HIS 28 4.008 -29.377 3.606 185 HD2 HIS 28 HD2 HIS 28 7.391 -29.161 1.203 186 HE1 HIS 28 HE1 HIS 28 5.631 -31.034 4.579 187 H LYS 29 H LYS 29 2.123 -26.661 -0.571 188 HA LYS 29 HA LYS 29 0.820 -24.798 -0.506 189 HB2 LYS 29 HB2 LYS 29 -0.123 -25.775 2.188 190 HB3 LYS 29 HB3 LYS 29 -0.997 -24.767 1.042 191 HG2 LYS 29 HG2 LYS 29 -0.934 -26.730 -0.543 192 HG3 LYS 29 HG3 LYS 29 -0.355 -27.693 0.819 193 HD2 LYS 29 HD2 LYS 29 -2.903 -26.084 0.873 194 HD3 LYS 29 HD3 LYS 29 -2.833 -27.789 0.423 195 HE2 LYS 29 HE2 LYS 29 -2.352 -28.472 2.557 196 HE3 LYS 29 HE3 LYS 29 -1.578 -26.947 2.986 197 HZ1 LYS 29 HZ1 LYS 29 -4.381 -26.687 2.403 198 HZ2 LYS 29 HZ2 LYS 29 -3.493 -26.109 3.722 199 HZ3 LYS 29 HZ3 LYS 29 -4.069 -27.699 3.722 200 H TRP 30 H TRP 30 3.199 -23.995 -0.023 201 HA TRP 30 HA TRP 30 2.905 -21.875 1.894 202 HB2 TRP 30 HB2 TRP 30 4.874 -22.412 3.235 203 HB3 TRP 30 HB3 TRP 30 3.682 -23.704 3.351 204 HD1 TRP 30 HD1 TRP 30 5.051 -24.401 0.151 205 HE1 TRP 30 HE1 TRP 30 7.013 -26.065 0.246 206 HE3 TRP 30 HE3 TRP 30 6.123 -24.109 5.141 207 HZ2 TRP 30 HZ2 TRP 30 8.780 -27.115 2.180 208 HZ3 TRP 30 HZ3 TRP 30 7.964 -25.476 6.034 209 HH2 TRP 30 HH2 TRP 30 9.263 -26.948 4.582 210 H CYS 31 H CYS 31 4.944 -20.488 1.932 211 HA CYS 31 HA CYS 31 5.783 -20.103 -0.813 212 HB2 CYS 31 HB2 CYS 31 6.395 -18.502 1.680 213 HB3 CYS 31 HB3 CYS 31 6.808 -18.024 0.037 214 H LYS 32 H LYS 32 7.157 -21.859 -1.187 215 HA LYS 32 HA LYS 32 9.612 -21.973 0.420 216 HB2 LYS 32 HB2 LYS 32 9.979 -24.166 -0.626 217 HB3 LYS 32 HB3 LYS 32 8.424 -24.090 0.190 218 HG2 LYS 32 HG2 LYS 32 7.558 -24.905 -1.685 219 HG3 LYS 32 HG3 LYS 32 7.825 -23.305 -2.381 220 HD2 LYS 32 HD2 LYS 32 8.785 -24.920 -3.861 221 HD3 LYS 32 HD3 LYS 32 10.107 -24.068 -3.059 222 HE2 LYS 32 HE2 LYS 32 10.514 -26.482 -3.169 223 HE3 LYS 32 HE3 LYS 32 10.381 -25.917 -1.504 224 HZ1 LYS 32 HZ1 LYS 32 7.889 -26.792 -2.669 225 HZ2 LYS 32 HZ2 LYS 32 8.559 -27.142 -1.155 226 HZ3 LYS 32 HZ3 LYS 32 9.047 -28.017 -2.518 227 H GLY 33 H GLY 33 11.509 -22.876 -1.123 228 HA2 GLY 33 HA2 GLY 33 11.892 -20.730 -3.069 229 HA3 GLY 33 HA3 GLY 33 13.142 -21.783 -2.424 230 H LYS 34 H LYS 34 11.582 -21.022 -5.164 231 HA LYS 34 HA LYS 34 10.969 -23.552 -6.286 232 HB2 LYS 34 HB2 LYS 34 10.282 -21.162 -7.058 233 HB3 LYS 34 HB3 LYS 34 11.808 -21.186 -7.933 234 HG2 LYS 34 HG2 LYS 34 11.106 -22.813 -9.390 235 HG3 LYS 34 HG3 LYS 34 9.919 -23.466 -8.259 236 HD2 LYS 34 HD2 LYS 34 8.787 -22.332 -10.073 237 HD3 LYS 34 HD3 LYS 34 8.549 -21.438 -8.570 238 HE2 LYS 34 HE2 LYS 34 10.099 -19.774 -9.201 239 HE3 LYS 34 HE3 LYS 34 10.735 -20.757 -10.519 240 HZ1 LYS 34 HZ1 LYS 34 9.174 -18.886 -11.137 241 HZ2 LYS 34 HZ2 LYS 34 7.929 -19.820 -10.475 242 HZ3 LYS 34 HZ3 LYS 34 8.817 -20.406 -11.789 243 H LEU 35 H LEU 35 12.441 -25.106 -6.515 244 HA LEU 35 HA LEU 35 15.218 -24.711 -6.667 245 HB2 LEU 35 HB2 LEU 35 15.407 -27.010 -6.926 246 HB3 LEU 35 HB3 LEU 35 13.904 -26.811 -6.027 247 HG LEU 35 HG LEU 35 14.072 -27.309 -8.998 248 HD11 LEU 35 HD11 LEU 35 12.974 -29.536 -8.063 249 HD12 LEU 35 HD12 LEU 35 13.967 -29.132 -6.662 250 HD13 LEU 35 HD13 LEU 35 14.719 -29.352 -8.242 251 HD21 LEU 35 HD21 LEU 35 11.661 -27.825 -8.724 252 HD22 LEU 35 HD22 LEU 35 12.060 -26.137 -8.405 253 HD23 LEU 35 HD23 LEU 35 11.762 -27.242 -7.062 Start of MODEL 10 1 H1 GLY 1 H GLY 1 0.218 1.468 -1.791 2 HA2 GLY 1 HA2 GLY 1 2.162 0.224 -0.721 3 HA3 GLY 1 HA3 GLY 1 0.571 -0.272 -0.164 4 H ASN 2 H ASN 2 2.751 -1.963 0.014 5 HA ASN 2 HA ASN 2 2.081 -4.005 -2.002 6 HB2 ASN 2 HB2 ASN 2 4.732 -3.141 -0.922 7 HB3 ASN 2 HB3 ASN 2 4.510 -4.831 -1.365 8 HD21 ASN 2 HD21 ASN 2 6.110 -4.492 -2.980 9 HD22 ASN 2 HD22 ASN 2 5.697 -3.737 -4.478 10 H ASP 3 H ASP 3 1.944 -6.146 -1.298 11 HA ASP 3 HA ASP 3 2.249 -6.693 1.549 12 HB2 ASP 3 HB2 ASP 3 -0.088 -5.917 1.268 13 HB3 ASP 3 HB3 ASP 3 -0.352 -7.200 0.090 14 H CYS 4 H CYS 4 3.503 -8.429 1.604 15 HA CYS 4 HA CYS 4 2.812 -10.731 -0.061 16 HB2 CYS 4 HB2 CYS 4 5.318 -11.067 -0.457 17 HB3 CYS 4 HB3 CYS 4 4.523 -9.808 -1.396 18 H LEU 5 H LEU 5 4.415 -12.616 0.611 19 HA LEU 5 HA LEU 5 4.475 -12.643 3.556 20 HB2 LEU 5 HB2 LEU 5 4.153 -14.994 1.699 21 HB3 LEU 5 HB3 LEU 5 4.085 -15.027 3.460 22 HG LEU 5 HG LEU 5 2.110 -13.449 1.838 23 HD11 LEU 5 HD11 LEU 5 2.172 -16.382 2.399 24 HD12 LEU 5 HD12 LEU 5 1.703 -15.529 0.928 25 HD13 LEU 5 HD13 LEU 5 0.632 -15.525 2.329 26 HD21 LEU 5 HD21 LEU 5 2.265 -12.961 4.225 27 HD22 LEU 5 HD22 LEU 5 2.018 -14.667 4.596 28 HD23 LEU 5 HD23 LEU 5 0.730 -13.735 3.831 29 H GLY 6 H GLY 6 6.106 -14.122 4.511 30 HA2 GLY 6 HA2 GLY 6 8.659 -13.711 3.174 31 HA3 GLY 6 HA3 GLY 6 8.423 -14.247 4.831 32 H PHE 7 H PHE 7 9.934 -15.919 4.586 33 HA PHE 7 HA PHE 7 9.463 -17.958 2.579 34 HB2 PHE 7 HB2 PHE 7 11.728 -17.051 3.855 35 HB3 PHE 7 HB3 PHE 7 11.412 -18.575 4.678 36 HD1 PHE 7 HD1 PHE 7 10.895 -20.602 3.088 37 HD2 PHE 7 HD2 PHE 7 12.969 -17.072 1.923 38 HE1 PHE 7 HE1 PHE 7 11.919 -21.826 1.215 39 HE2 PHE 7 HE2 PHE 7 13.996 -18.290 0.048 40 HZ PHE 7 HZ PHE 7 13.471 -20.670 -0.308 41 H TRP 8 H TRP 8 9.016 -20.149 3.044 42 HA TRP 8 HA TRP 8 7.758 -21.789 4.002 43 HB2 TRP 8 HB2 TRP 8 8.851 -20.808 6.637 44 HB3 TRP 8 HB3 TRP 8 8.404 -22.452 6.189 45 HD1 TRP 8 HD1 TRP 8 11.369 -20.415 6.664 46 HE1 TRP 8 HE1 TRP 8 13.417 -21.435 5.485 47 HE3 TRP 8 HE3 TRP 8 8.976 -23.779 3.649 48 HZ2 TRP 8 HZ2 TRP 8 13.947 -23.405 3.534 49 HZ3 TRP 8 HZ3 TRP 8 10.326 -25.193 2.156 50 HH2 TRP 8 HH2 TRP 8 12.760 -25.008 2.100 51 H SER 9 H SER 9 6.482 -19.216 3.664 52 HA SER 9 HA SER 9 4.688 -19.074 5.978 53 HB2 SER 9 HB2 SER 9 5.857 -17.027 4.774 54 HB3 SER 9 HB3 SER 9 4.486 -17.177 3.675 55 HG SER 9 HG SER 9 3.261 -16.330 5.148 56 H ALA 10 H ALA 10 2.763 -20.010 5.908 57 HA ALA 10 HA ALA 10 1.809 -21.570 3.843 58 HB1 ALA 10 HB1 ALA 10 0.789 -20.578 6.364 59 HB2 ALA 10 HB2 ALA 10 -0.486 -20.728 5.154 60 HB3 ALA 10 HB3 ALA 10 0.511 -22.124 5.563 61 H CYS 11 H CYS 11 0.579 -21.266 2.061 62 HA CYS 11 HA CYS 11 -0.790 -18.750 1.611 63 HB2 CYS 11 HB2 CYS 11 0.343 -18.441 -0.616 64 HB3 CYS 11 HB3 CYS 11 1.368 -18.131 0.782 65 H ASN 12 H ASN 12 -1.524 -18.892 -0.929 66 HA ASN 12 HA ASN 12 -2.862 -21.506 -1.128 67 HB2 ASN 12 HB2 ASN 12 -4.018 -19.038 -0.993 68 HB3 ASN 12 HB3 ASN 12 -3.924 -19.276 -2.736 69 HD21 ASN 12 HD21 ASN 12 -5.669 -20.133 -3.570 70 HD22 ASN 12 HD22 ASN 12 -6.733 -21.253 -2.796 71 HA PRO 13 HA PRO 13 -0.638 -22.317 -4.845 72 HB2 PRO 13 HB2 PRO 13 -2.291 -24.191 -5.905 73 HB3 PRO 13 HB3 PRO 13 -1.227 -24.516 -4.532 74 HG2 PRO 13 HG2 PRO 13 -4.150 -23.872 -4.551 75 HG3 PRO 13 HG3 PRO 13 -3.278 -25.087 -3.598 76 HD2 PRO 13 HD2 PRO 13 -4.028 -22.696 -2.574 77 HD3 PRO 13 HD3 PRO 13 -2.556 -23.539 -2.052 78 H LYS 14 H LYS 14 -3.907 -21.178 -4.808 79 HA LYS 14 HA LYS 14 -3.912 -20.694 -7.689 80 HB2 LYS 14 HB2 LYS 14 -6.102 -19.995 -5.738 81 HB3 LYS 14 HB3 LYS 14 -6.229 -20.197 -7.481 82 HG2 LYS 14 HG2 LYS 14 -5.794 -22.585 -7.243 83 HG3 LYS 14 HG3 LYS 14 -5.649 -22.387 -5.495 84 HD2 LYS 14 HD2 LYS 14 -8.016 -21.383 -5.627 85 HD3 LYS 14 HD3 LYS 14 -8.085 -22.123 -7.227 86 HE2 LYS 14 HE2 LYS 14 -7.363 -24.280 -6.039 87 HE3 LYS 14 HE3 LYS 14 -7.807 -23.451 -4.549 88 HZ1 LYS 14 HZ1 LYS 14 -9.712 -23.575 -6.791 89 HZ2 LYS 14 HZ2 LYS 14 -10.021 -23.394 -5.138 90 HZ3 LYS 14 HZ3 LYS 14 -9.547 -24.898 -5.749 91 H ASN 15 H ASN 15 -3.284 -19.087 -4.734 92 HA ASN 15 HA ASN 15 -2.931 -16.570 -6.187 93 HB2 ASN 15 HB2 ASN 15 -5.153 -16.623 -4.918 94 HB3 ASN 15 HB3 ASN 15 -4.188 -16.608 -3.446 95 HD21 ASN 15 HD21 ASN 15 -5.930 -14.700 -5.338 96 HD22 ASN 15 HD22 ASN 15 -5.105 -13.196 -5.135 97 H ASP 16 H ASP 16 -0.699 -17.017 -6.103 98 HA ASP 16 HA ASP 16 0.633 -17.446 -3.596 99 HB2 ASP 16 HB2 ASP 16 1.700 -18.419 -5.466 100 HB3 ASP 16 HB3 ASP 16 1.589 -16.933 -6.406 101 H LYS 17 H LYS 17 0.784 -15.873 -2.142 102 HA LYS 17 HA LYS 17 1.245 -13.121 -3.085 103 HB2 LYS 17 HB2 LYS 17 -0.025 -14.152 -0.547 104 HB3 LYS 17 HB3 LYS 17 0.405 -12.465 -0.795 105 HG2 LYS 17 HG2 LYS 17 -1.069 -13.081 -3.040 106 HG3 LYS 17 HG3 LYS 17 -1.889 -13.965 -1.750 107 HD2 LYS 17 HD2 LYS 17 -1.815 -11.801 -0.423 108 HD3 LYS 17 HD3 LYS 17 -1.338 -11.011 -1.928 109 HE2 LYS 17 HE2 LYS 17 -3.715 -12.770 -2.035 110 HE3 LYS 17 HE3 LYS 17 -3.887 -11.259 -1.144 111 HZ1 LYS 17 HZ1 LYS 17 -3.941 -10.105 -3.025 112 HZ2 LYS 17 HZ2 LYS 17 -4.111 -11.574 -3.846 113 HZ3 LYS 17 HZ3 LYS 17 -2.578 -10.885 -3.655 114 H CYS 18 H CYS 18 3.272 -15.222 -2.701 115 HA CYS 18 HA CYS 18 4.707 -14.576 -0.298 116 HB2 CYS 18 HB2 CYS 18 5.780 -16.015 -2.727 117 HB3 CYS 18 HB3 CYS 18 6.370 -16.113 -1.071 118 H CYS 19 H CYS 19 7.054 -13.897 -0.459 119 HA CYS 19 HA CYS 19 7.333 -11.741 -2.451 120 HB2 CYS 19 HB2 CYS 19 7.157 -11.458 0.305 121 HB3 CYS 19 HB3 CYS 19 8.886 -11.364 -0.012 122 H ALA 20 H ALA 20 9.861 -10.977 -2.171 123 HA ALA 20 HA ALA 20 11.966 -11.464 -2.895 124 HB1 ALA 20 HB1 ALA 20 11.893 -14.034 -1.382 125 HB2 ALA 20 HB2 ALA 20 13.187 -12.842 -1.517 126 HB3 ALA 20 HB3 ALA 20 11.782 -12.507 -0.506 127 H ASN 21 H ASN 21 9.685 -12.504 -4.451 128 HA ASN 21 HA ASN 21 9.327 -13.756 -6.316 129 HB2 ASN 21 HB2 ASN 21 12.218 -14.562 -6.352 130 HB3 ASN 21 HB3 ASN 21 11.146 -14.217 -7.706 131 HD21 ASN 21 HD21 ASN 21 13.742 -13.111 -6.153 132 HD22 ASN 21 HD22 ASN 21 13.585 -11.414 -6.438 133 H LEU 22 H LEU 22 9.163 -14.957 -3.658 134 HA LEU 22 HA LEU 22 10.185 -17.604 -3.725 135 HB2 LEU 22 HB2 LEU 22 8.069 -16.222 -2.113 136 HB3 LEU 22 HB3 LEU 22 8.347 -17.955 -1.954 137 HG LEU 22 HG LEU 22 10.645 -16.080 -1.618 138 HD11 LEU 22 HD11 LEU 22 9.161 -16.769 0.827 139 HD12 LEU 22 HD12 LEU 22 8.404 -15.561 -0.210 140 HD13 LEU 22 HD13 LEU 22 10.037 -15.299 0.401 141 HD21 LEU 22 HD21 LEU 22 11.618 -18.019 -1.146 142 HD22 LEU 22 HD22 LEU 22 10.074 -18.869 -1.220 143 HD23 LEU 22 HD23 LEU 22 10.602 -18.127 0.291 144 H VAL 23 H VAL 23 8.376 -19.424 -3.316 145 HA VAL 23 HA VAL 23 6.359 -19.220 -5.444 146 HB VAL 23 HB VAL 23 8.224 -20.432 -6.417 147 HG11 VAL 23 HG11 VAL 23 8.775 -22.711 -5.391 148 HG12 VAL 23 HG12 VAL 23 9.432 -21.278 -4.599 149 HG13 VAL 23 HG13 VAL 23 8.020 -22.091 -3.924 150 HG21 VAL 23 HG21 VAL 23 6.958 -22.059 -7.375 151 HG22 VAL 23 HG22 VAL 23 6.358 -22.659 -5.829 152 HG23 VAL 23 HG23 VAL 23 5.673 -21.194 -6.532 153 H CYS 24 H CYS 24 4.460 -20.324 -5.086 154 HA CYS 24 HA CYS 24 4.076 -21.281 -2.348 155 HB2 CYS 24 HB2 CYS 24 2.591 -19.505 -3.503 156 HB3 CYS 24 HB3 CYS 24 1.883 -20.868 -4.365 157 H SER 25 H SER 25 4.773 -23.371 -2.322 158 HA SER 25 HA SER 25 4.412 -25.260 -4.360 159 HB2 SER 25 HB2 SER 25 6.048 -25.735 -2.702 160 HB3 SER 25 HB3 SER 25 4.882 -25.552 -1.392 161 HG SER 25 HG SER 25 5.399 -27.720 -3.006 162 H SER 26 H SER 26 2.633 -26.197 -5.088 163 HA SER 26 HA SER 26 0.106 -25.860 -3.844 164 HB2 SER 26 HB2 SER 26 -0.315 -27.864 -5.655 165 HB3 SER 26 HB3 SER 26 -0.315 -26.145 -6.050 166 HG SER 26 HG SER 26 1.082 -27.213 -7.440 167 H LYS 27 H LYS 27 2.615 -28.010 -3.248 168 HA LYS 27 HA LYS 27 0.887 -30.156 -2.288 169 HB2 LYS 27 HB2 LYS 27 3.861 -29.863 -2.628 170 HB3 LYS 27 HB3 LYS 27 3.180 -31.177 -1.676 171 HG2 LYS 27 HG2 LYS 27 2.426 -30.641 -4.537 172 HG3 LYS 27 HG3 LYS 27 3.721 -31.739 -4.054 173 HD2 LYS 27 HD2 LYS 27 2.011 -32.949 -2.649 174 HD3 LYS 27 HD3 LYS 27 0.779 -31.965 -3.442 175 HE2 LYS 27 HE2 LYS 27 1.586 -32.818 -5.629 176 HE3 LYS 27 HE3 LYS 27 2.697 -33.880 -4.766 177 HZ1 LYS 27 HZ1 LYS 27 0.734 -34.865 -3.657 178 HZ2 LYS 27 HZ2 LYS 27 0.749 -35.108 -5.330 179 HZ3 LYS 27 HZ3 LYS 27 -0.268 -33.937 -4.656 180 H HIS 28 H HIS 28 3.690 -28.422 -0.917 181 HA HIS 28 HA HIS 28 2.892 -28.993 1.766 182 HB2 HIS 28 HB2 HIS 28 5.156 -27.723 0.425 183 HB3 HIS 28 HB3 HIS 28 4.722 -26.925 1.934 184 HD1 HIS 28 HD1 HIS 28 6.831 -29.499 0.731 185 HD2 HIS 28 HD2 HIS 28 4.440 -29.051 4.099 186 HE1 HIS 28 HE1 HIS 28 7.709 -31.159 2.404 187 H LYS 29 H LYS 29 2.075 -26.576 -0.497 188 HA LYS 29 HA LYS 29 0.801 -24.695 -0.394 189 HB2 LYS 29 HB2 LYS 29 -0.126 -25.690 2.298 190 HB3 LYS 29 HB3 LYS 29 -0.998 -24.655 1.175 191 HG2 LYS 29 HG2 LYS 29 -1.009 -26.585 -0.433 192 HG3 LYS 29 HG3 LYS 29 -0.388 -27.583 0.884 193 HD2 LYS 29 HD2 LYS 29 -2.835 -25.930 1.323 194 HD3 LYS 29 HD3 LYS 29 -2.962 -27.444 0.425 195 HE2 LYS 29 HE2 LYS 29 -1.659 -27.247 3.131 196 HE3 LYS 29 HE3 LYS 29 -3.378 -27.579 2.919 197 HZ1 LYS 29 HZ1 LYS 29 -2.270 -29.645 3.143 198 HZ2 LYS 29 HZ2 LYS 29 -1.098 -29.235 1.995 199 HZ3 LYS 29 HZ3 LYS 29 -2.697 -29.504 1.512 200 H TRP 30 H TRP 30 3.198 -23.935 0.070 201 HA TRP 30 HA TRP 30 2.958 -21.834 2.016 202 HB2 TRP 30 HB2 TRP 30 4.935 -22.418 3.327 203 HB3 TRP 30 HB3 TRP 30 3.724 -23.692 3.442 204 HD1 TRP 30 HD1 TRP 30 5.044 -24.372 0.218 205 HE1 TRP 30 HE1 TRP 30 6.979 -26.068 0.269 206 HE3 TRP 30 HE3 TRP 30 6.179 -24.157 5.198 207 HZ2 TRP 30 HZ2 TRP 30 8.752 -27.170 2.170 208 HZ3 TRP 30 HZ3 TRP 30 8.007 -25.564 6.052 209 HH2 TRP 30 HH2 TRP 30 9.266 -27.039 4.568 210 H CYS 31 H CYS 31 5.018 -20.478 2.047 211 HA CYS 31 HA CYS 31 5.831 -20.074 -0.703 212 HB2 CYS 31 HB2 CYS 31 6.497 -18.510 1.800 213 HB3 CYS 31 HB3 CYS 31 6.895 -18.019 0.157 214 H LYS 32 H LYS 32 7.177 -21.842 -1.114 215 HA LYS 32 HA LYS 32 9.647 -22.012 0.465 216 HB2 LYS 32 HB2 LYS 32 9.971 -24.197 -0.616 217 HB3 LYS 32 HB3 LYS 32 8.428 -24.109 0.222 218 HG2 LYS 32 HG2 LYS 32 7.527 -24.890 -1.652 219 HG3 LYS 32 HG3 LYS 32 7.803 -23.283 -2.328 220 HD2 LYS 32 HD2 LYS 32 8.723 -24.886 -3.845 221 HD3 LYS 32 HD3 LYS 32 10.067 -24.064 -3.049 222 HE2 LYS 32 HE2 LYS 32 10.443 -26.480 -3.201 223 HE3 LYS 32 HE3 LYS 32 10.336 -25.940 -1.526 224 HZ1 LYS 32 HZ1 LYS 32 7.843 -26.805 -2.733 225 HZ2 LYS 32 HZ2 LYS 32 8.453 -27.094 -1.182 226 HZ3 LYS 32 HZ3 LYS 32 8.993 -28.022 -2.490 227 H GLY 33 H GLY 33 11.515 -22.922 -1.109 228 HA2 GLY 33 HA2 GLY 33 11.910 -20.757 -3.030 229 HA3 GLY 33 HA3 GLY 33 13.150 -21.839 -2.414 230 H LYS 34 H LYS 34 11.602 -21.009 -5.131 231 HA LYS 34 HA LYS 34 10.815 -23.419 -6.322 232 HB2 LYS 34 HB2 LYS 34 10.529 -20.956 -7.118 233 HB3 LYS 34 HB3 LYS 34 12.083 -21.205 -7.901 234 HG2 LYS 34 HG2 LYS 34 10.976 -23.300 -8.921 235 HG3 LYS 34 HG3 LYS 34 9.459 -22.526 -8.455 236 HD2 LYS 34 HD2 LYS 34 11.537 -21.031 -10.017 237 HD3 LYS 34 HD3 LYS 34 10.394 -22.105 -10.827 238 HE2 LYS 34 HE2 LYS 34 9.483 -19.961 -8.933 239 HE3 LYS 34 HE3 LYS 34 9.780 -19.625 -10.638 240 HZ1 LYS 34 HZ1 LYS 34 7.424 -20.339 -9.785 241 HZ2 LYS 34 HZ2 LYS 34 8.062 -21.896 -9.953 242 HZ3 LYS 34 HZ3 LYS 34 7.998 -20.860 -11.289 243 H LEU 35 H LEU 35 12.150 -25.141 -6.213 244 HA LEU 35 HA LEU 35 14.949 -25.072 -6.361 245 HB2 LEU 35 HB2 LEU 35 14.885 -27.392 -6.378 246 HB3 LEU 35 HB3 LEU 35 13.404 -26.938 -5.537 247 HG LEU 35 HG LEU 35 13.549 -27.760 -8.437 248 HD11 LEU 35 HD11 LEU 35 14.084 -29.691 -7.206 249 HD12 LEU 35 HD12 LEU 35 12.357 -29.811 -7.539 250 HD13 LEU 35 HD13 LEU 35 12.913 -29.310 -5.942 251 HD21 LEU 35 HD21 LEU 35 11.026 -28.097 -7.885 252 HD22 LEU 35 HD22 LEU 35 11.633 -26.489 -8.279 253 HD23 LEU 35 HD23 LEU 35 11.346 -26.936 -6.596 Start of MODEL 11 1 H1 GLY 1 H GLY 1 4.231 1.192 -1.200 2 HA2 GLY 1 HA2 GLY 1 2.075 -0.181 0.268 3 HA3 GLY 1 HA3 GLY 1 1.965 0.385 -1.392 4 H ASN 2 H ASN 2 3.281 -2.082 0.722 5 HA ASN 2 HA ASN 2 3.591 -3.823 -1.631 6 HB2 ASN 2 HB2 ASN 2 5.502 -3.321 0.615 7 HB3 ASN 2 HB3 ASN 2 5.444 -4.925 -0.110 8 HD21 ASN 2 HD21 ASN 2 5.141 -4.541 -2.699 9 HD22 ASN 2 HD22 ASN 2 6.429 -3.601 -3.364 10 H ASP 3 H ASP 3 2.698 -5.803 -1.475 11 HA ASP 3 HA ASP 3 1.826 -6.751 1.163 12 HB2 ASP 3 HB2 ASP 3 0.122 -6.329 -1.274 13 HB3 ASP 3 HB3 ASP 3 -0.298 -7.569 -0.096 14 H CYS 4 H CYS 4 2.969 -8.560 1.418 15 HA CYS 4 HA CYS 4 2.556 -10.780 -0.338 16 HB2 CYS 4 HB2 CYS 4 5.066 -11.101 -0.726 17 HB3 CYS 4 HB3 CYS 4 4.256 -9.878 -1.700 18 H LEU 5 H LEU 5 4.183 -12.627 0.384 19 HA LEU 5 HA LEU 5 4.239 -12.574 3.329 20 HB2 LEU 5 HB2 LEU 5 3.961 -14.981 1.539 21 HB3 LEU 5 HB3 LEU 5 3.877 -14.961 3.299 22 HG LEU 5 HG LEU 5 1.895 -13.451 1.623 23 HD11 LEU 5 HD11 LEU 5 2.000 -16.374 2.225 24 HD12 LEU 5 HD12 LEU 5 1.520 -15.548 0.743 25 HD13 LEU 5 HD13 LEU 5 0.445 -15.546 2.140 26 HD21 LEU 5 HD21 LEU 5 0.522 -13.602 3.580 27 HD22 LEU 5 HD22 LEU 5 2.106 -12.994 4.061 28 HD23 LEU 5 HD23 LEU 5 1.676 -14.678 4.368 29 H GLY 6 H GLY 6 5.881 -14.037 4.316 30 HA2 GLY 6 HA2 GLY 6 8.435 -13.611 2.981 31 HA3 GLY 6 HA3 GLY 6 8.201 -14.117 4.648 32 H PHE 7 H PHE 7 9.735 -15.773 4.439 33 HA PHE 7 HA PHE 7 9.292 -17.860 2.474 34 HB2 PHE 7 HB2 PHE 7 11.547 -16.892 3.723 35 HB3 PHE 7 HB3 PHE 7 11.255 -18.402 4.581 36 HD1 PHE 7 HD1 PHE 7 10.762 -20.471 3.040 37 HD2 PHE 7 HD2 PHE 7 12.783 -16.940 1.789 38 HE1 PHE 7 HE1 PHE 7 11.798 -21.723 1.193 39 HE2 PHE 7 HE2 PHE 7 13.822 -18.187 -0.061 40 HZ PHE 7 HZ PHE 7 13.330 -20.581 -0.361 41 H TRP 8 H TRP 8 8.876 -20.045 2.986 42 HA TRP 8 HA TRP 8 7.650 -21.685 3.985 43 HB2 TRP 8 HB2 TRP 8 8.722 -20.621 6.596 44 HB3 TRP 8 HB3 TRP 8 8.302 -22.283 6.189 45 HD1 TRP 8 HD1 TRP 8 11.234 -20.188 6.618 46 HE1 TRP 8 HE1 TRP 8 13.299 -21.203 5.466 47 HE3 TRP 8 HE3 TRP 8 8.899 -23.660 3.680 48 HZ2 TRP 8 HZ2 TRP 8 13.864 -23.210 3.563 49 HZ3 TRP 8 HZ3 TRP 8 10.275 -25.088 2.222 50 HH2 TRP 8 HH2 TRP 8 12.706 -24.865 2.166 51 H SER 9 H SER 9 6.350 -19.115 3.601 52 HA SER 9 HA SER 9 4.542 -18.959 5.902 53 HB2 SER 9 HB2 SER 9 5.681 -16.923 4.651 54 HB3 SER 9 HB3 SER 9 4.314 -17.120 3.554 55 HG SER 9 HG SER 9 4.287 -15.806 5.769 56 H ALA 10 H ALA 10 2.646 -19.951 5.851 57 HA ALA 10 HA ALA 10 1.718 -21.559 3.814 58 HB1 ALA 10 HB1 ALA 10 0.813 -20.758 6.362 59 HB2 ALA 10 HB2 ALA 10 -0.533 -20.542 5.242 60 HB3 ALA 10 HB3 ALA 10 0.253 -22.114 5.383 61 H CYS 11 H CYS 11 0.475 -21.310 2.033 62 HA CYS 11 HA CYS 11 -0.944 -18.826 1.548 63 HB2 CYS 11 HB2 CYS 11 0.171 -18.543 -0.694 64 HB3 CYS 11 HB3 CYS 11 1.194 -18.183 0.692 65 H ASN 12 H ASN 12 -1.694 -19.026 -0.982 66 HA ASN 12 HA ASN 12 -2.996 -21.661 -1.121 67 HB2 ASN 12 HB2 ASN 12 -4.177 -19.201 -1.047 68 HB3 ASN 12 HB3 ASN 12 -4.084 -19.485 -2.783 69 HD21 ASN 12 HD21 ASN 12 -5.793 -20.422 -3.609 70 HD22 ASN 12 HD22 ASN 12 -6.854 -21.516 -2.795 71 HA PRO 13 HA PRO 13 -0.766 -22.540 -4.819 72 HB2 PRO 13 HB2 PRO 13 -2.401 -24.457 -5.831 73 HB3 PRO 13 HB3 PRO 13 -1.331 -24.736 -4.452 74 HG2 PRO 13 HG2 PRO 13 -4.261 -24.125 -4.483 75 HG3 PRO 13 HG3 PRO 13 -3.375 -25.307 -3.501 76 HD2 PRO 13 HD2 PRO 13 -4.150 -22.899 -2.535 77 HD3 PRO 13 HD3 PRO 13 -2.668 -23.712 -1.994 78 H LYS 14 H LYS 14 -4.039 -21.421 -4.802 79 HA LYS 14 HA LYS 14 -4.051 -21.009 -7.696 80 HB2 LYS 14 HB2 LYS 14 -6.251 -20.318 -5.752 81 HB3 LYS 14 HB3 LYS 14 -6.378 -20.522 -7.494 82 HG2 LYS 14 HG2 LYS 14 -5.832 -22.918 -7.211 83 HG3 LYS 14 HG3 LYS 14 -5.843 -22.678 -5.462 84 HD2 LYS 14 HD2 LYS 14 -8.235 -21.598 -6.147 85 HD3 LYS 14 HD3 LYS 14 -8.080 -22.866 -7.365 86 HE2 LYS 14 HE2 LYS 14 -8.954 -24.190 -5.776 87 HE3 LYS 14 HE3 LYS 14 -7.317 -24.192 -5.122 88 HZ1 LYS 14 HZ1 LYS 14 -8.868 -21.936 -4.265 89 HZ2 LYS 14 HZ2 LYS 14 -7.961 -23.032 -3.350 90 HZ3 LYS 14 HZ3 LYS 14 -9.549 -23.411 -3.793 91 H ASN 15 H ASN 15 -3.451 -19.331 -4.775 92 HA ASN 15 HA ASN 15 -3.141 -16.838 -6.280 93 HB2 ASN 15 HB2 ASN 15 -5.355 -16.900 -4.999 94 HB3 ASN 15 HB3 ASN 15 -4.383 -16.845 -3.532 95 HD21 ASN 15 HD21 ASN 15 -5.039 -14.862 -2.851 96 HD22 ASN 15 HD22 ASN 15 -4.671 -13.394 -3.685 97 H ASP 16 H ASP 16 -0.901 -17.256 -6.201 98 HA ASP 16 HA ASP 16 0.449 -17.605 -3.689 99 HB2 ASP 16 HB2 ASP 16 1.521 -18.616 -5.534 100 HB3 ASP 16 HB3 ASP 16 1.381 -17.161 -6.518 101 H LYS 17 H LYS 17 0.589 -15.993 -2.279 102 HA LYS 17 HA LYS 17 1.015 -13.262 -3.297 103 HB2 LYS 17 HB2 LYS 17 -0.252 -14.246 -0.740 104 HB3 LYS 17 HB3 LYS 17 0.180 -12.563 -1.011 105 HG2 LYS 17 HG2 LYS 17 -1.283 -13.183 -3.250 106 HG3 LYS 17 HG3 LYS 17 -2.103 -14.086 -1.973 107 HD2 LYS 17 HD2 LYS 17 -1.355 -11.208 -1.588 108 HD3 LYS 17 HD3 LYS 17 -2.833 -11.652 -2.444 109 HE2 LYS 17 HE2 LYS 17 -3.426 -13.062 -0.437 110 HE3 LYS 17 HE3 LYS 17 -2.074 -12.298 0.397 111 HZ1 LYS 17 HZ1 LYS 17 -3.207 -10.123 -0.268 112 HZ2 LYS 17 HZ2 LYS 17 -3.898 -11.018 0.990 113 HZ3 LYS 17 HZ3 LYS 17 -4.581 -11.068 -0.557 114 H CYS 18 H CYS 18 3.069 -15.322 -2.869 115 HA CYS 18 HA CYS 18 4.500 -14.602 -0.484 116 HB2 CYS 18 HB2 CYS 18 5.586 -16.085 -2.880 117 HB3 CYS 18 HB3 CYS 18 6.182 -16.136 -1.224 118 H CYS 19 H CYS 19 6.848 -13.910 -0.678 119 HA CYS 19 HA CYS 19 7.095 -11.798 -2.720 120 HB2 CYS 19 HB2 CYS 19 6.913 -11.444 0.028 121 HB3 CYS 19 HB3 CYS 19 8.640 -11.332 -0.292 122 H ALA 20 H ALA 20 9.611 -10.994 -2.461 123 HA ALA 20 HA ALA 20 11.724 -11.472 -3.169 124 HB1 ALA 20 HB1 ALA 20 12.019 -12.178 -0.896 125 HB2 ALA 20 HB2 ALA 20 11.310 -13.755 -1.245 126 HB3 ALA 20 HB3 ALA 20 12.866 -13.312 -1.948 127 H ASN 21 H ASN 21 9.460 -12.582 -4.700 128 HA ASN 21 HA ASN 21 9.124 -13.886 -6.532 129 HB2 ASN 21 HB2 ASN 21 12.038 -14.631 -6.508 130 HB3 ASN 21 HB3 ASN 21 10.967 -14.413 -7.889 131 HD21 ASN 21 HD21 ASN 21 13.352 -13.027 -6.028 132 HD22 ASN 21 HD22 ASN 21 13.194 -11.393 -6.564 133 H LEU 22 H LEU 22 8.964 -15.014 -3.840 134 HA LEU 22 HA LEU 22 10.007 -17.654 -3.833 135 HB2 LEU 22 HB2 LEU 22 7.883 -16.241 -2.261 136 HB3 LEU 22 HB3 LEU 22 8.162 -17.969 -2.058 137 HG LEU 22 HG LEU 22 10.458 -16.084 -1.765 138 HD11 LEU 22 HD11 LEU 22 9.870 -15.295 0.271 139 HD12 LEU 22 HD12 LEU 22 8.910 -16.720 0.671 140 HD13 LEU 22 HD13 LEU 22 8.245 -15.479 -0.391 141 HD21 LEU 22 HD21 LEU 22 9.882 -18.861 -1.288 142 HD22 LEU 22 HD22 LEU 22 10.419 -18.077 0.198 143 HD23 LEU 22 HD23 LEU 22 11.428 -18.013 -1.248 144 H VAL 23 H VAL 23 8.228 -19.485 -3.389 145 HA VAL 23 HA VAL 23 6.204 -19.353 -5.516 146 HB VAL 23 HB VAL 23 8.083 -20.564 -6.463 147 HG11 VAL 23 HG11 VAL 23 8.661 -22.814 -5.385 148 HG12 VAL 23 HG12 VAL 23 9.303 -21.355 -4.628 149 HG13 VAL 23 HG13 VAL 23 7.901 -22.167 -3.932 150 HG21 VAL 23 HG21 VAL 23 5.582 -21.327 -6.655 151 HG22 VAL 23 HG22 VAL 23 6.875 -22.316 -7.334 152 HG23 VAL 23 HG23 VAL 23 6.164 -22.742 -5.777 153 H CYS 24 H CYS 24 4.320 -20.470 -5.130 154 HA CYS 24 HA CYS 24 3.949 -21.368 -2.370 155 HB2 CYS 24 HB2 CYS 24 2.441 -19.639 -3.568 156 HB3 CYS 24 HB3 CYS 24 1.749 -21.032 -4.393 157 H SER 25 H SER 25 4.676 -23.448 -2.299 158 HA SER 25 HA SER 25 4.337 -25.389 -4.289 159 HB2 SER 25 HB2 SER 25 5.978 -25.817 -2.632 160 HB3 SER 25 HB3 SER 25 4.823 -25.593 -1.318 161 HG SER 25 HG SER 25 5.491 -27.848 -2.448 162 H SER 26 H SER 26 2.570 -26.369 -4.992 163 HA SER 26 HA SER 26 0.039 -26.033 -3.757 164 HB2 SER 26 HB2 SER 26 0.073 -26.278 -6.128 165 HB3 SER 26 HB3 SER 26 0.988 -27.783 -6.029 166 HG SER 26 HG SER 26 -0.949 -28.617 -6.177 167 H LYS 27 H LYS 27 2.576 -28.136 -3.109 168 HA LYS 27 HA LYS 27 0.874 -30.277 -2.092 169 HB2 LYS 27 HB2 LYS 27 3.847 -29.958 -2.431 170 HB3 LYS 27 HB3 LYS 27 3.173 -31.263 -1.463 171 HG2 LYS 27 HG2 LYS 27 1.733 -31.448 -3.785 172 HG3 LYS 27 HG3 LYS 27 3.332 -30.964 -4.356 173 HD2 LYS 27 HD2 LYS 27 3.082 -33.155 -2.340 174 HD3 LYS 27 HD3 LYS 27 2.758 -33.494 -4.041 175 HE2 LYS 27 HE2 LYS 27 5.293 -32.266 -2.963 176 HE3 LYS 27 HE3 LYS 27 5.094 -33.962 -3.398 177 HZ1 LYS 27 HZ1 LYS 27 5.711 -33.383 -5.433 178 HZ2 LYS 27 HZ2 LYS 27 5.639 -31.732 -5.074 179 HZ3 LYS 27 HZ3 LYS 27 4.250 -32.544 -5.595 180 H HIS 28 H HIS 28 3.657 -28.475 -0.770 181 HA HIS 28 HA HIS 28 2.871 -28.988 1.928 182 HB2 HIS 28 HB2 HIS 28 5.114 -27.715 0.552 183 HB3 HIS 28 HB3 HIS 28 4.672 -26.894 2.046 184 HD1 HIS 28 HD1 HIS 28 3.950 -29.321 3.785 185 HD2 HIS 28 HD2 HIS 28 7.304 -29.123 1.340 186 HE1 HIS 28 HE1 HIS 28 5.584 -30.971 4.750 187 H LYS 29 H LYS 29 2.017 -26.640 -0.394 188 HA LYS 29 HA LYS 29 0.720 -24.773 -0.337 189 HB2 LYS 29 HB2 LYS 29 -0.191 -25.732 2.376 190 HB3 LYS 29 HB3 LYS 29 -1.073 -24.712 1.248 191 HG2 LYS 29 HG2 LYS 29 -1.014 -26.691 -0.346 192 HG3 LYS 29 HG3 LYS 29 -0.491 -27.647 1.043 193 HD2 LYS 29 HD2 LYS 29 -2.506 -27.309 2.180 194 HD3 LYS 29 HD3 LYS 29 -2.948 -25.928 1.173 195 HE2 LYS 29 HE2 LYS 29 -4.311 -27.549 0.293 196 HE3 LYS 29 HE3 LYS 29 -2.897 -27.714 -0.747 197 HZ1 LYS 29 HZ1 LYS 29 -2.623 -29.789 -0.065 198 HZ2 LYS 29 HZ2 LYS 29 -4.080 -29.681 0.787 199 HZ3 LYS 29 HZ3 LYS 29 -2.619 -29.327 1.563 200 H TRP 30 H TRP 30 3.107 -23.972 0.109 201 HA TRP 30 HA TRP 30 2.839 -21.826 2.001 202 HB2 TRP 30 HB2 TRP 30 4.820 -22.351 3.329 203 HB3 TRP 30 HB3 TRP 30 3.627 -23.639 3.473 204 HD1 TRP 30 HD1 TRP 30 4.960 -24.381 0.269 205 HE1 TRP 30 HE1 TRP 30 6.920 -26.047 0.364 206 HE3 TRP 30 HE3 TRP 30 6.088 -24.024 5.243 207 HZ2 TRP 30 HZ2 TRP 30 8.707 -27.074 2.293 208 HZ3 TRP 30 HZ3 TRP 30 7.936 -25.382 6.133 209 HH2 TRP 30 HH2 TRP 30 9.217 -26.875 4.687 210 H CYS 31 H CYS 31 4.882 -20.444 1.999 211 HA CYS 31 HA CYS 31 5.693 -20.098 -0.760 212 HB2 CYS 31 HB2 CYS 31 6.341 -18.466 1.705 213 HB3 CYS 31 HB3 CYS 31 6.732 -18.011 0.050 214 H LYS 32 H LYS 32 7.059 -21.859 -1.129 215 HA LYS 32 HA LYS 32 9.530 -21.964 0.454 216 HB2 LYS 32 HB2 LYS 32 9.880 -24.169 -0.575 217 HB3 LYS 32 HB3 LYS 32 8.335 -24.080 0.261 218 HG2 LYS 32 HG2 LYS 32 7.443 -24.912 -1.594 219 HG3 LYS 32 HG3 LYS 32 7.705 -23.320 -2.310 220 HD2 LYS 32 HD2 LYS 32 8.642 -24.950 -3.786 221 HD3 LYS 32 HD3 LYS 32 9.978 -24.100 -3.007 222 HE2 LYS 32 HE2 LYS 32 10.371 -26.516 -3.101 223 HE3 LYS 32 HE3 LYS 32 10.258 -25.938 -1.440 224 HZ1 LYS 32 HZ1 LYS 32 8.333 -27.045 -1.086 225 HZ2 LYS 32 HZ2 LYS 32 8.956 -28.060 -2.287 226 HZ3 LYS 32 HZ3 LYS 32 7.798 -26.893 -2.684 227 H GLY 33 H GLY 33 11.412 -22.882 -1.092 228 HA2 GLY 33 HA2 GLY 33 11.781 -20.761 -3.066 229 HA3 GLY 33 HA3 GLY 33 13.034 -21.811 -2.423 230 H LYS 34 H LYS 34 11.471 -21.069 -5.159 231 HA LYS 34 HA LYS 34 10.764 -23.557 -6.273 232 HB2 LYS 34 HB2 LYS 34 10.308 -21.122 -7.102 233 HB3 LYS 34 HB3 LYS 34 11.843 -21.309 -7.940 234 HG2 LYS 34 HG2 LYS 34 10.713 -23.550 -8.765 235 HG3 LYS 34 HG3 LYS 34 9.238 -22.643 -8.424 236 HD2 LYS 34 HD2 LYS 34 11.428 -21.381 -10.022 237 HD3 LYS 34 HD3 LYS 34 10.322 -22.521 -10.792 238 HE2 LYS 34 HE2 LYS 34 8.427 -21.164 -10.188 239 HE3 LYS 34 HE3 LYS 34 9.452 -20.083 -9.245 240 HZ1 LYS 34 HZ1 LYS 34 10.638 -19.960 -11.628 241 HZ2 LYS 34 HZ2 LYS 34 9.430 -18.887 -11.129 242 HZ3 LYS 34 HZ3 LYS 34 9.036 -20.207 -12.112 243 H LEU 35 H LEU 35 12.193 -25.196 -6.218 244 HA LEU 35 HA LEU 35 14.950 -25.066 -6.303 245 HB2 LEU 35 HB2 LEU 35 14.940 -27.396 -6.829 246 HB3 LEU 35 HB3 LEU 35 13.605 -27.065 -5.727 247 HG LEU 35 HG LEU 35 13.053 -27.138 -8.654 248 HD11 LEU 35 HD11 LEU 35 12.823 -29.516 -8.672 249 HD12 LEU 35 HD12 LEU 35 13.250 -29.623 -6.964 250 HD13 LEU 35 HD13 LEU 35 14.462 -29.130 -8.146 251 HD21 LEU 35 HD21 LEU 35 11.596 -27.412 -6.101 252 HD22 LEU 35 HD22 LEU 35 11.047 -28.433 -7.430 253 HD23 LEU 35 HD23 LEU 35 11.093 -26.680 -7.625 Start of MODEL 12 1 H1 GLY 1 H GLY 1 3.547 1.349 -1.994 2 HA2 GLY 1 HA2 GLY 1 2.372 0.236 -0.215 3 HA3 GLY 1 HA3 GLY 1 0.987 0.076 -1.286 4 H ASN 2 H ASN 2 2.852 -1.824 0.287 5 HA ASN 2 HA ASN 2 3.219 -3.721 -1.935 6 HB2 ASN 2 HB2 ASN 2 5.103 -4.664 -0.399 7 HB3 ASN 2 HB3 ASN 2 5.432 -3.247 -1.391 8 HD21 ASN 2 HD21 ASN 2 5.849 -1.317 -0.433 9 HD22 ASN 2 HD22 ASN 2 6.004 -1.109 1.275 10 H ASP 3 H ASP 3 2.909 -5.940 -1.428 11 HA ASP 3 HA ASP 3 1.953 -6.711 1.175 12 HB2 ASP 3 HB2 ASP 3 -0.085 -5.712 0.315 13 HB3 ASP 3 HB3 ASP 3 0.049 -6.643 -1.174 14 H CYS 4 H CYS 4 3.118 -8.507 1.397 15 HA CYS 4 HA CYS 4 2.646 -10.746 -0.336 16 HB2 CYS 4 HB2 CYS 4 5.148 -11.066 -0.765 17 HB3 CYS 4 HB3 CYS 4 4.325 -9.840 -1.724 18 H LEU 5 H LEU 5 4.275 -12.595 0.364 19 HA LEU 5 HA LEU 5 4.385 -12.534 3.308 20 HB2 LEU 5 HB2 LEU 5 4.069 -14.948 1.533 21 HB3 LEU 5 HB3 LEU 5 4.008 -14.917 3.294 22 HG LEU 5 HG LEU 5 2.010 -13.420 1.624 23 HD11 LEU 5 HD11 LEU 5 2.262 -16.310 2.016 24 HD12 LEU 5 HD12 LEU 5 1.333 -15.399 0.827 25 HD13 LEU 5 HD13 LEU 5 0.685 -15.648 2.448 26 HD21 LEU 5 HD21 LEU 5 2.298 -12.949 4.075 27 HD22 LEU 5 HD22 LEU 5 1.775 -14.605 4.383 28 HD23 LEU 5 HD23 LEU 5 0.682 -13.467 3.594 29 H GLY 6 H GLY 6 6.038 -14.009 4.266 30 HA2 GLY 6 HA2 GLY 6 8.569 -13.591 2.887 31 HA3 GLY 6 HA3 GLY 6 8.362 -14.098 4.557 32 H PHE 7 H PHE 7 9.894 -15.756 4.309 33 HA PHE 7 HA PHE 7 9.407 -17.839 2.353 34 HB2 PHE 7 HB2 PHE 7 11.685 -16.884 3.571 35 HB3 PHE 7 HB3 PHE 7 11.400 -18.395 4.428 36 HD1 PHE 7 HD1 PHE 7 10.874 -20.456 2.884 37 HD2 PHE 7 HD2 PHE 7 12.894 -16.929 1.619 38 HE1 PHE 7 HE1 PHE 7 11.878 -21.704 1.017 39 HE2 PHE 7 HE2 PHE 7 13.900 -18.171 -0.251 40 HZ PHE 7 HZ PHE 7 13.392 -20.562 -0.554 41 H TRP 8 H TRP 8 8.991 -20.024 2.867 42 HA TRP 8 HA TRP 8 7.767 -21.658 3.880 43 HB2 TRP 8 HB2 TRP 8 8.899 -20.618 6.475 44 HB3 TRP 8 HB3 TRP 8 8.460 -22.274 6.065 45 HD1 TRP 8 HD1 TRP 8 11.414 -20.200 6.446 46 HE1 TRP 8 HE1 TRP 8 13.449 -21.223 5.247 47 HE3 TRP 8 HE3 TRP 8 8.997 -23.642 3.539 48 HZ2 TRP 8 HZ2 TRP 8 13.961 -23.224 3.323 49 HZ3 TRP 8 HZ3 TRP 8 10.333 -25.071 2.046 50 HH2 TRP 8 HH2 TRP 8 12.763 -24.864 1.941 51 H SER 9 H SER 9 6.441 -19.130 3.501 52 HA SER 9 HA SER 9 4.694 -18.954 5.852 53 HB2 SER 9 HB2 SER 9 5.818 -16.916 4.597 54 HB3 SER 9 HB3 SER 9 4.437 -17.102 3.517 55 HG SER 9 HG SER 9 3.111 -16.976 5.443 56 H ALA 10 H ALA 10 2.791 -19.934 5.832 57 HA ALA 10 HA ALA 10 1.817 -21.529 3.806 58 HB1 ALA 10 HB1 ALA 10 1.081 -21.086 6.352 59 HB2 ALA 10 HB2 ALA 10 -0.232 -20.263 5.509 60 HB3 ALA 10 HB3 ALA 10 0.089 -21.968 5.190 61 H CYS 11 H CYS 11 0.575 -21.257 2.033 62 HA CYS 11 HA CYS 11 -0.854 -18.770 1.588 63 HB2 CYS 11 HB2 CYS 11 0.232 -18.473 -0.666 64 HB3 CYS 11 HB3 CYS 11 1.275 -18.125 0.709 65 H ASN 12 H ASN 12 -1.638 -18.951 -0.932 66 HA ASN 12 HA ASN 12 -2.945 -21.583 -1.074 67 HB2 ASN 12 HB2 ASN 12 -4.124 -19.124 -0.961 68 HB3 ASN 12 HB3 ASN 12 -4.056 -19.392 -2.701 69 HD21 ASN 12 HD21 ASN 12 -5.780 -20.317 -3.507 70 HD22 ASN 12 HD22 ASN 12 -6.829 -21.420 -2.689 71 HA PRO 13 HA PRO 13 -0.772 -22.431 -4.813 72 HB2 PRO 13 HB2 PRO 13 -2.424 -24.336 -5.819 73 HB3 PRO 13 HB3 PRO 13 -1.335 -24.630 -4.458 74 HG2 PRO 13 HG2 PRO 13 -4.265 -24.014 -4.441 75 HG3 PRO 13 HG3 PRO 13 -3.366 -25.206 -3.483 76 HD2 PRO 13 HD2 PRO 13 -4.123 -22.806 -2.483 77 HD3 PRO 13 HD3 PRO 13 -2.635 -23.627 -1.972 78 H LYS 14 H LYS 14 -4.069 -21.356 -4.753 79 HA LYS 14 HA LYS 14 -4.117 -20.905 -7.637 80 HB2 LYS 14 HB2 LYS 14 -6.281 -20.213 -5.653 81 HB3 LYS 14 HB3 LYS 14 -6.438 -20.414 -7.393 82 HG2 LYS 14 HG2 LYS 14 -5.981 -22.797 -7.169 83 HG3 LYS 14 HG3 LYS 14 -5.796 -22.602 -5.425 84 HD2 LYS 14 HD2 LYS 14 -8.208 -21.515 -5.684 85 HD3 LYS 14 HD3 LYS 14 -8.250 -22.571 -7.097 86 HE2 LYS 14 HE2 LYS 14 -7.472 -23.558 -4.366 87 HE3 LYS 14 HE3 LYS 14 -9.147 -23.524 -4.915 88 HZ1 LYS 14 HZ1 LYS 14 -6.971 -25.275 -5.709 89 HZ2 LYS 14 HZ2 LYS 14 -7.985 -24.758 -6.960 90 HZ3 LYS 14 HZ3 LYS 14 -8.634 -25.579 -5.631 91 H ASN 15 H ASN 15 -3.449 -19.245 -4.723 92 HA ASN 15 HA ASN 15 -3.155 -16.748 -6.220 93 HB2 ASN 15 HB2 ASN 15 -5.352 -16.800 -4.914 94 HB3 ASN 15 HB3 ASN 15 -4.364 -16.761 -3.457 95 HD21 ASN 15 HD21 ASN 15 -4.950 -14.780 -2.738 96 HD22 ASN 15 HD22 ASN 15 -4.600 -13.309 -3.574 97 H ASP 16 H ASP 16 -0.916 -17.179 -6.170 98 HA ASP 16 HA ASP 16 0.465 -17.546 -3.679 99 HB2 ASP 16 HB2 ASP 16 1.510 -18.548 -5.543 100 HB3 ASP 16 HB3 ASP 16 1.361 -17.087 -6.517 101 H LYS 17 H LYS 17 0.628 -15.943 -2.260 102 HA LYS 17 HA LYS 17 1.047 -13.207 -3.265 103 HB2 LYS 17 HB2 LYS 17 -0.175 -14.203 -0.691 104 HB3 LYS 17 HB3 LYS 17 0.248 -12.518 -0.967 105 HG2 LYS 17 HG2 LYS 17 -1.256 -13.146 -3.180 106 HG3 LYS 17 HG3 LYS 17 -2.051 -14.041 -1.882 107 HD2 LYS 17 HD2 LYS 17 -1.290 -11.167 -1.509 108 HD3 LYS 17 HD3 LYS 17 -2.775 -11.599 -2.360 109 HE2 LYS 17 HE2 LYS 17 -3.603 -11.461 -0.245 110 HE3 LYS 17 HE3 LYS 17 -3.092 -13.148 -0.229 111 HZ1 LYS 17 HZ1 LYS 17 -2.328 -11.217 1.540 112 HZ2 LYS 17 HZ2 LYS 17 -0.984 -11.372 0.525 113 HZ3 LYS 17 HZ3 LYS 17 -1.592 -12.727 1.336 114 H CYS 18 H CYS 18 3.104 -15.271 -2.888 115 HA CYS 18 HA CYS 18 4.576 -14.568 -0.522 116 HB2 CYS 18 HB2 CYS 18 5.615 -16.049 -2.941 117 HB3 CYS 18 HB3 CYS 18 6.240 -16.106 -1.296 118 H CYS 19 H CYS 19 6.918 -13.877 -0.747 119 HA CYS 19 HA CYS 19 7.142 -11.764 -2.790 120 HB2 CYS 19 HB2 CYS 19 7.003 -11.415 -0.039 121 HB3 CYS 19 HB3 CYS 19 8.726 -11.308 -0.386 122 H ALA 20 H ALA 20 9.664 -10.968 -2.568 123 HA ALA 20 HA ALA 20 11.765 -11.452 -3.310 124 HB1 ALA 20 HB1 ALA 20 11.505 -13.873 -1.533 125 HB2 ALA 20 HB2 ALA 20 12.995 -13.079 -2.047 126 HB3 ALA 20 HB3 ALA 20 11.884 -12.249 -0.957 127 H ASN 21 H ASN 21 9.478 -12.547 -4.812 128 HA ASN 21 HA ASN 21 9.109 -13.847 -6.641 129 HB2 ASN 21 HB2 ASN 21 12.015 -14.613 -6.667 130 HB3 ASN 21 HB3 ASN 21 10.925 -14.366 -8.029 131 HD21 ASN 21 HD21 ASN 21 13.470 -13.094 -6.455 132 HD22 ASN 21 HD22 ASN 21 13.280 -11.427 -6.865 133 H LEU 22 H LEU 22 8.987 -14.980 -3.947 134 HA LEU 22 HA LEU 22 10.019 -17.625 -3.964 135 HB2 LEU 22 HB2 LEU 22 7.929 -16.206 -2.353 136 HB3 LEU 22 HB3 LEU 22 8.203 -17.936 -2.159 137 HG LEU 22 HG LEU 22 10.511 -16.061 -1.899 138 HD11 LEU 22 HD11 LEU 22 9.981 -15.319 0.183 139 HD12 LEU 22 HD12 LEU 22 8.953 -16.707 0.540 140 HD13 LEU 22 HD13 LEU 22 8.356 -15.411 -0.496 141 HD21 LEU 22 HD21 LEU 22 9.931 -18.838 -1.419 142 HD22 LEU 22 HD22 LEU 22 10.506 -18.059 0.055 143 HD23 LEU 22 HD23 LEU 22 11.481 -17.998 -1.414 144 H VAL 23 H VAL 23 8.241 -19.449 -3.496 145 HA VAL 23 HA VAL 23 6.182 -19.303 -5.588 146 HB VAL 23 HB VAL 23 8.039 -20.522 -6.568 147 HG11 VAL 23 HG11 VAL 23 7.891 -22.126 -4.036 148 HG12 VAL 23 HG12 VAL 23 8.625 -22.775 -5.504 149 HG13 VAL 23 HG13 VAL 23 9.285 -21.321 -4.755 150 HG21 VAL 23 HG21 VAL 23 6.180 -22.734 -5.888 151 HG22 VAL 23 HG22 VAL 23 5.500 -21.295 -6.647 152 HG23 VAL 23 HG23 VAL 23 6.778 -22.200 -7.459 153 H CYS 24 H CYS 24 4.299 -20.416 -5.175 154 HA CYS 24 HA CYS 24 3.969 -21.316 -2.411 155 HB2 CYS 24 HB2 CYS 24 2.450 -19.577 -3.582 156 HB3 CYS 24 HB3 CYS 24 1.738 -20.966 -4.397 157 H SER 25 H SER 25 4.680 -23.400 -2.349 158 HA SER 25 HA SER 25 4.300 -25.335 -4.340 159 HB2 SER 25 HB2 SER 25 5.967 -25.784 -2.721 160 HB3 SER 25 HB3 SER 25 4.847 -25.538 -1.381 161 HG SER 25 HG SER 25 4.710 -27.649 -3.276 162 H SER 26 H SER 26 2.517 -26.307 -5.012 163 HA SER 26 HA SER 26 0.010 -25.961 -3.731 164 HB2 SER 26 HB2 SER 26 -0.415 -28.019 -5.487 165 HB3 SER 26 HB3 SER 26 -0.459 -26.309 -5.917 166 HG SER 26 HG SER 26 1.062 -28.030 -7.007 167 H LYS 27 H LYS 27 2.548 -28.075 -3.130 168 HA LYS 27 HA LYS 27 0.855 -30.210 -2.085 169 HB2 LYS 27 HB2 LYS 27 3.819 -29.903 -2.489 170 HB3 LYS 27 HB3 LYS 27 3.169 -31.197 -1.492 171 HG2 LYS 27 HG2 LYS 27 2.107 -30.822 -4.249 172 HG3 LYS 27 HG3 LYS 27 3.683 -31.586 -4.023 173 HD2 LYS 27 HD2 LYS 27 2.637 -33.220 -2.496 174 HD3 LYS 27 HD3 LYS 27 1.066 -32.478 -2.811 175 HE2 LYS 27 HE2 LYS 27 1.650 -32.932 -5.303 176 HE3 LYS 27 HE3 LYS 27 2.807 -34.085 -4.639 177 HZ1 LYS 27 HZ1 LYS 27 -0.126 -34.141 -4.556 178 HZ2 LYS 27 HZ2 LYS 27 0.736 -34.871 -3.297 179 HZ3 LYS 27 HZ3 LYS 27 0.964 -35.391 -4.891 180 H HIS 28 H HIS 28 3.669 -28.421 -0.810 181 HA HIS 28 HA HIS 28 2.926 -28.933 1.900 182 HB2 HIS 28 HB2 HIS 28 5.151 -27.666 0.486 183 HB3 HIS 28 HB3 HIS 28 4.739 -26.850 1.992 184 HD1 HIS 28 HD1 HIS 28 4.115 -29.153 3.832 185 HD2 HIS 28 HD2 HIS 28 7.272 -29.215 1.131 186 HE1 HIS 28 HE1 HIS 28 5.740 -30.847 4.735 187 H LYS 29 H LYS 29 2.044 -26.580 -0.405 188 HA LYS 29 HA LYS 29 0.756 -24.706 -0.323 189 HB2 LYS 29 HB2 LYS 29 -0.111 -25.675 2.401 190 HB3 LYS 29 HB3 LYS 29 -1.005 -24.635 1.300 191 HG2 LYS 29 HG2 LYS 29 -1.028 -26.582 -0.312 192 HG3 LYS 29 HG3 LYS 29 -0.435 -27.570 1.025 193 HD2 LYS 29 HD2 LYS 29 -2.392 -27.168 2.305 194 HD3 LYS 29 HD3 LYS 29 -2.925 -25.887 1.214 195 HE2 LYS 29 HE2 LYS 29 -4.174 -27.998 0.910 196 HE3 LYS 29 HE3 LYS 29 -3.319 -27.488 -0.545 197 HZ1 LYS 29 HZ1 LYS 29 -3.202 -29.949 0.346 198 HZ2 LYS 29 HZ2 LYS 29 -1.933 -29.315 1.266 199 HZ3 LYS 29 HZ3 LYS 29 -1.882 -29.221 -0.422 200 H TRP 30 H TRP 30 3.155 -23.917 0.084 201 HA TRP 30 HA TRP 30 2.929 -21.772 1.983 202 HB2 TRP 30 HB2 TRP 30 4.929 -22.309 3.277 203 HB3 TRP 30 HB3 TRP 30 3.733 -23.592 3.438 204 HD1 TRP 30 HD1 TRP 30 5.008 -24.335 0.212 205 HE1 TRP 30 HE1 TRP 30 6.962 -26.009 0.272 206 HE3 TRP 30 HE3 TRP 30 6.223 -23.988 5.166 207 HZ2 TRP 30 HZ2 TRP 30 8.778 -27.046 2.168 208 HZ3 TRP 30 HZ3 TRP 30 8.081 -25.355 6.023 209 HH2 TRP 30 HH2 TRP 30 9.330 -26.852 4.554 210 H CYS 31 H CYS 31 4.978 -20.400 1.948 211 HA CYS 31 HA CYS 31 5.743 -20.053 -0.823 212 HB2 CYS 31 HB2 CYS 31 6.451 -18.429 1.630 213 HB3 CYS 31 HB3 CYS 31 6.799 -17.971 -0.034 214 H LYS 32 H LYS 32 7.094 -21.820 -1.220 215 HA LYS 32 HA LYS 32 9.591 -21.940 0.320 216 HB2 LYS 32 HB2 LYS 32 9.912 -24.145 -0.721 217 HB3 LYS 32 HB3 LYS 32 8.382 -24.050 0.142 218 HG2 LYS 32 HG2 LYS 32 7.458 -24.879 -1.700 219 HG3 LYS 32 HG3 LYS 32 7.705 -23.283 -2.412 220 HD2 LYS 32 HD2 LYS 32 8.611 -24.917 -3.911 221 HD3 LYS 32 HD3 LYS 32 9.957 -24.049 -3.168 222 HE2 LYS 32 HE2 LYS 32 10.754 -26.129 -2.819 223 HE3 LYS 32 HE3 LYS 32 9.681 -26.080 -1.422 224 HZ1 LYS 32 HZ1 LYS 32 9.484 -27.643 -3.843 225 HZ2 LYS 32 HZ2 LYS 32 8.029 -26.930 -3.356 226 HZ3 LYS 32 HZ3 LYS 32 8.864 -27.954 -2.300 227 H GLY 33 H GLY 33 11.441 -22.866 -1.262 228 HA2 GLY 33 HA2 GLY 33 11.790 -20.739 -3.233 229 HA3 GLY 33 HA3 GLY 33 13.045 -21.805 -2.620 230 H LYS 34 H LYS 34 11.476 -21.028 -5.329 231 HA LYS 34 HA LYS 34 10.673 -23.469 -6.458 232 HB2 LYS 34 HB2 LYS 34 10.281 -21.074 -7.311 233 HB3 LYS 34 HB3 LYS 34 11.874 -21.209 -8.043 234 HG2 LYS 34 HG2 LYS 34 10.966 -23.358 -9.123 235 HG3 LYS 34 HG3 LYS 34 9.377 -22.730 -8.679 236 HD2 LYS 34 HD2 LYS 34 11.367 -21.077 -10.207 237 HD3 LYS 34 HD3 LYS 34 10.255 -22.182 -11.019 238 HE2 LYS 34 HE2 LYS 34 9.286 -20.110 -9.073 239 HE3 LYS 34 HE3 LYS 34 9.550 -19.729 -10.774 240 HZ1 LYS 34 HZ1 LYS 34 7.228 -20.473 -10.020 241 HZ2 LYS 34 HZ2 LYS 34 7.881 -22.033 -9.999 242 HZ3 LYS 34 HZ3 LYS 34 7.864 -21.143 -11.438 243 H LEU 35 H LEU 35 11.889 -25.212 -6.739 244 HA LEU 35 HA LEU 35 14.734 -25.139 -6.790 245 HB2 LEU 35 HB2 LEU 35 12.676 -27.273 -7.208 246 HB3 LEU 35 HB3 LEU 35 14.379 -27.595 -7.529 247 HG LEU 35 HG LEU 35 13.567 -26.506 -4.868 248 HD11 LEU 35 HD11 LEU 35 13.191 -28.739 -4.023 249 HD12 LEU 35 HD12 LEU 35 13.440 -29.420 -5.630 250 HD13 LEU 35 HD13 LEU 35 12.045 -28.388 -5.317 251 HD21 LEU 35 HD21 LEU 35 15.713 -28.450 -5.709 252 HD22 LEU 35 HD22 LEU 35 15.522 -27.700 -4.124 253 HD23 LEU 35 HD23 LEU 35 15.947 -26.712 -5.523 Start of MODEL 13 1 H1 GLY 1 H GLY 1 3.668 -1.185 2.750 2 HA2 GLY 1 HA2 GLY 1 4.038 0.750 0.546 3 HA3 GLY 1 HA3 GLY 1 5.330 -0.289 1.129 4 H ASN 2 H ASN 2 4.426 -2.732 1.231 5 HA ASN 2 HA ASN 2 3.089 -3.284 -1.329 6 HB2 ASN 2 HB2 ASN 2 4.679 -5.193 -1.655 7 HB3 ASN 2 HB3 ASN 2 5.436 -3.606 -1.760 8 HD21 ASN 2 HD21 ASN 2 6.846 -2.945 -0.155 9 HD22 ASN 2 HD22 ASN 2 7.512 -4.043 1.001 10 H ASP 3 H ASP 3 2.615 -5.771 -1.432 11 HA ASP 3 HA ASP 3 1.764 -6.740 1.206 12 HB2 ASP 3 HB2 ASP 3 0.054 -6.298 -1.220 13 HB3 ASP 3 HB3 ASP 3 -0.355 -7.568 -0.070 14 H CYS 4 H CYS 4 2.937 -8.535 1.444 15 HA CYS 4 HA CYS 4 2.524 -10.753 -0.318 16 HB2 CYS 4 HB2 CYS 4 5.037 -11.057 -0.711 17 HB3 CYS 4 HB3 CYS 4 4.217 -9.837 -1.680 18 H LEU 5 H LEU 5 4.125 -12.607 0.395 19 HA LEU 5 HA LEU 5 4.195 -12.565 3.339 20 HB2 LEU 5 HB2 LEU 5 3.938 -14.962 1.532 21 HB3 LEU 5 HB3 LEU 5 3.855 -14.956 3.292 22 HG LEU 5 HG LEU 5 1.860 -13.441 1.640 23 HD11 LEU 5 HD11 LEU 5 0.406 -15.512 2.027 24 HD12 LEU 5 HD12 LEU 5 1.926 -16.375 2.259 25 HD13 LEU 5 HD13 LEU 5 1.594 -15.571 0.725 26 HD21 LEU 5 HD21 LEU 5 2.016 -14.489 4.447 27 HD22 LEU 5 HD22 LEU 5 0.472 -14.077 3.700 28 HD23 LEU 5 HD23 LEU 5 1.717 -12.842 3.893 29 H GLY 6 H GLY 6 5.842 -14.043 4.313 30 HA2 GLY 6 HA2 GLY 6 8.397 -13.580 2.989 31 HA3 GLY 6 HA3 GLY 6 8.164 -14.097 4.652 32 H PHE 7 H PHE 7 9.728 -15.731 4.416 33 HA PHE 7 HA PHE 7 9.297 -17.813 2.447 34 HB2 PHE 7 HB2 PHE 7 11.542 -16.835 3.706 35 HB3 PHE 7 HB3 PHE 7 11.262 -18.353 4.552 36 HD1 PHE 7 HD1 PHE 7 10.787 -20.413 2.992 37 HD2 PHE 7 HD2 PHE 7 12.784 -16.857 1.775 38 HE1 PHE 7 HE1 PHE 7 11.837 -21.642 1.136 39 HE2 PHE 7 HE2 PHE 7 13.836 -18.079 -0.083 40 HZ PHE 7 HZ PHE 7 13.363 -20.474 -0.405 41 H TRP 8 H TRP 8 8.898 -20.005 2.945 42 HA TRP 8 HA TRP 8 7.682 -21.659 3.931 43 HB2 TRP 8 HB2 TRP 8 8.750 -20.611 6.550 44 HB3 TRP 8 HB3 TRP 8 8.343 -22.272 6.128 45 HD1 TRP 8 HD1 TRP 8 11.258 -20.157 6.573 46 HE1 TRP 8 HE1 TRP 8 13.330 -21.145 5.409 47 HE3 TRP 8 HE3 TRP 8 8.949 -23.622 3.607 48 HZ2 TRP 8 HZ2 TRP 8 13.909 -23.130 3.488 49 HZ3 TRP 8 HZ3 TRP 8 10.334 -25.025 2.135 50 HH2 TRP 8 HH2 TRP 8 12.763 -24.783 2.078 51 H SER 9 H SER 9 6.353 -19.112 3.558 52 HA SER 9 HA SER 9 4.551 -18.983 5.867 53 HB2 SER 9 HB2 SER 9 5.678 -16.927 4.634 54 HB3 SER 9 HB3 SER 9 4.306 -17.119 3.543 55 HG SER 9 HG SER 9 4.343 -16.422 6.260 56 H ALA 10 H ALA 10 2.650 -19.967 5.805 57 HA ALA 10 HA ALA 10 1.734 -21.571 3.760 58 HB1 ALA 10 HB1 ALA 10 0.300 -22.137 5.352 59 HB2 ALA 10 HB2 ALA 10 0.790 -20.732 6.300 60 HB3 ALA 10 HB3 ALA 10 -0.541 -20.600 5.151 61 H CYS 11 H CYS 11 0.484 -21.321 1.980 62 HA CYS 11 HA CYS 11 -0.933 -18.841 1.493 63 HB2 CYS 11 HB2 CYS 11 0.195 -18.537 -0.738 64 HB3 CYS 11 HB3 CYS 11 1.211 -18.185 0.657 65 H ASN 12 H ASN 12 -1.660 -19.033 -1.047 66 HA ASN 12 HA ASN 12 -2.941 -21.678 -1.212 67 HB2 ASN 12 HB2 ASN 12 -4.151 -19.233 -1.111 68 HB3 ASN 12 HB3 ASN 12 -4.050 -19.494 -2.850 69 HD21 ASN 12 HD21 ASN 12 -5.765 -20.414 -3.680 70 HD22 ASN 12 HD22 ASN 12 -6.809 -21.540 -2.888 71 HA PRO 13 HA PRO 13 -0.696 -22.489 -4.917 72 HB2 PRO 13 HB2 PRO 13 -2.308 -24.411 -5.954 73 HB3 PRO 13 HB3 PRO 13 -1.238 -24.695 -4.576 74 HG2 PRO 13 HG2 PRO 13 -4.174 -24.115 -4.606 75 HG3 PRO 13 HG3 PRO 13 -3.277 -25.299 -3.637 76 HD2 PRO 13 HD2 PRO 13 -4.080 -22.911 -2.643 77 HD3 PRO 13 HD3 PRO 13 -2.590 -23.715 -2.110 78 H LYS 14 H LYS 14 -3.991 -21.424 -4.898 79 HA LYS 14 HA LYS 14 -4.001 -20.974 -7.785 80 HB2 LYS 14 HB2 LYS 14 -6.209 -20.311 -5.841 81 HB3 LYS 14 HB3 LYS 14 -6.331 -20.520 -7.583 82 HG2 LYS 14 HG2 LYS 14 -5.755 -22.911 -7.289 83 HG3 LYS 14 HG3 LYS 14 -5.786 -22.665 -5.542 84 HD2 LYS 14 HD2 LYS 14 -8.171 -21.692 -6.031 85 HD3 LYS 14 HD3 LYS 14 -8.035 -22.654 -7.505 86 HE2 LYS 14 HE2 LYS 14 -7.635 -23.738 -4.720 87 HE3 LYS 14 HE3 LYS 14 -9.152 -23.832 -5.613 88 HZ1 LYS 14 HZ1 LYS 14 -7.110 -24.800 -7.259 89 HZ2 LYS 14 HZ2 LYS 14 -8.413 -25.653 -6.598 90 HZ3 LYS 14 HZ3 LYS 14 -6.951 -25.555 -5.753 91 H ASN 15 H ASN 15 -3.400 -19.321 -4.854 92 HA ASN 15 HA ASN 15 -3.112 -16.813 -6.334 93 HB2 ASN 15 HB2 ASN 15 -5.331 -16.901 -5.064 94 HB3 ASN 15 HB3 ASN 15 -4.366 -16.850 -3.592 95 HD21 ASN 15 HD21 ASN 15 -6.298 -14.945 -4.820 96 HD22 ASN 15 HD22 ASN 15 -5.450 -13.442 -4.897 97 H ASP 16 H ASP 16 -0.870 -17.215 -6.247 98 HA ASP 16 HA ASP 16 0.471 -17.573 -3.732 99 HB2 ASP 16 HB2 ASP 16 1.551 -18.564 -5.588 100 HB3 ASP 16 HB3 ASP 16 1.420 -17.095 -6.551 101 H LYS 17 H LYS 17 0.594 -15.970 -2.311 102 HA LYS 17 HA LYS 17 1.002 -13.229 -3.308 103 HB2 LYS 17 HB2 LYS 17 -0.243 -14.232 -0.746 104 HB3 LYS 17 HB3 LYS 17 0.151 -12.542 -1.033 105 HG2 LYS 17 HG2 LYS 17 -1.316 -13.248 -3.260 106 HG3 LYS 17 HG3 LYS 17 -2.116 -14.105 -1.940 107 HD2 LYS 17 HD2 LYS 17 -2.080 -11.903 -0.680 108 HD3 LYS 17 HD3 LYS 17 -1.610 -11.149 -2.205 109 HE2 LYS 17 HE2 LYS 17 -3.967 -12.944 -2.249 110 HE3 LYS 17 HE3 LYS 17 -4.154 -11.395 -1.429 111 HZ1 LYS 17 HZ1 LYS 17 -3.112 -10.456 -3.573 112 HZ2 LYS 17 HZ2 LYS 17 -4.742 -10.907 -3.589 113 HZ3 LYS 17 HZ3 LYS 17 -3.576 -11.928 -4.267 114 H CYS 18 H CYS 18 3.064 -15.292 -2.878 115 HA CYS 18 HA CYS 18 4.492 -14.569 -0.494 116 HB2 CYS 18 HB2 CYS 18 5.591 -16.033 -2.895 117 HB3 CYS 18 HB3 CYS 18 6.181 -16.091 -1.237 118 H CYS 19 H CYS 19 6.831 -13.857 -0.678 119 HA CYS 19 HA CYS 19 7.068 -11.736 -2.711 120 HB2 CYS 19 HB2 CYS 19 6.881 -11.396 0.038 121 HB3 CYS 19 HB3 CYS 19 8.609 -11.272 -0.280 122 H ALA 20 H ALA 20 9.579 -10.917 -2.447 123 HA ALA 20 HA ALA 20 11.696 -11.378 -3.155 124 HB1 ALA 20 HB1 ALA 20 11.285 -13.666 -1.237 125 HB2 ALA 20 HB2 ALA 20 12.841 -13.234 -1.948 126 HB3 ALA 20 HB3 ALA 20 12.007 -12.094 -0.892 127 H ASN 21 H ASN 21 9.437 -12.496 -4.692 128 HA ASN 21 HA ASN 21 9.111 -13.789 -6.533 129 HB2 ASN 21 HB2 ASN 21 12.014 -14.551 -6.538 130 HB3 ASN 21 HB3 ASN 21 10.943 -14.252 -7.904 131 HD21 ASN 21 HD21 ASN 21 13.299 -12.969 -5.883 132 HD22 ASN 21 HD22 ASN 21 13.200 -11.321 -6.392 133 H LEU 22 H LEU 22 8.954 -14.935 -3.850 134 HA LEU 22 HA LEU 22 10.016 -17.567 -3.857 135 HB2 LEU 22 HB2 LEU 22 7.880 -16.179 -2.280 136 HB3 LEU 22 HB3 LEU 22 8.172 -17.906 -2.086 137 HG LEU 22 HG LEU 22 10.451 -16.004 -1.778 138 HD11 LEU 22 HD11 LEU 22 9.799 -15.152 0.187 139 HD12 LEU 22 HD12 LEU 22 9.026 -16.652 0.696 140 HD13 LEU 22 HD13 LEU 22 8.170 -15.537 -0.369 141 HD21 LEU 22 HD21 LEU 22 11.437 -17.931 -1.281 142 HD22 LEU 22 HD22 LEU 22 9.898 -18.791 -1.320 143 HD23 LEU 22 HD23 LEU 22 10.435 -18.009 0.168 144 H VAL 23 H VAL 23 8.247 -19.412 -3.425 145 HA VAL 23 HA VAL 23 6.224 -19.281 -5.554 146 HB VAL 23 HB VAL 23 8.110 -20.471 -6.511 147 HG11 VAL 23 HG11 VAL 23 7.946 -22.092 -3.990 148 HG12 VAL 23 HG12 VAL 23 8.716 -22.719 -5.449 149 HG13 VAL 23 HG13 VAL 23 9.339 -21.259 -4.680 150 HG21 VAL 23 HG21 VAL 23 6.906 -22.201 -7.405 151 HG22 VAL 23 HG22 VAL 23 6.238 -22.689 -5.848 152 HG23 VAL 23 HG23 VAL 23 5.602 -21.266 -6.673 153 H CYS 24 H CYS 24 4.347 -20.413 -5.175 154 HA CYS 24 HA CYS 24 3.982 -21.333 -2.422 155 HB2 CYS 24 HB2 CYS 24 2.461 -19.609 -3.611 156 HB3 CYS 24 HB3 CYS 24 1.782 -21.003 -4.445 157 H SER 25 H SER 25 4.722 -23.408 -2.359 158 HA SER 25 HA SER 25 4.401 -25.339 -4.363 159 HB2 SER 25 HB2 SER 25 6.045 -25.772 -2.715 160 HB3 SER 25 HB3 SER 25 4.897 -25.550 -1.396 161 HG SER 25 HG SER 25 5.333 -27.754 -3.030 162 H SER 26 H SER 26 2.643 -26.329 -5.072 163 HA SER 26 HA SER 26 0.109 -26.022 -3.834 164 HB2 SER 26 HB2 SER 26 -0.697 -26.793 -5.798 165 HB3 SER 26 HB3 SER 26 0.973 -26.699 -6.356 166 HG SER 26 HG SER 26 1.130 -28.814 -6.280 167 H LYS 27 H LYS 27 2.663 -28.106 -3.198 168 HA LYS 27 HA LYS 27 0.980 -30.269 -2.195 169 HB2 LYS 27 HB2 LYS 27 3.245 -30.528 -3.460 170 HB3 LYS 27 HB3 LYS 27 3.964 -30.160 -1.897 171 HG2 LYS 27 HG2 LYS 27 3.913 -32.417 -1.738 172 HG3 LYS 27 HG3 LYS 27 2.302 -32.069 -1.107 173 HD2 LYS 27 HD2 LYS 27 1.729 -32.209 -3.722 174 HD3 LYS 27 HD3 LYS 27 3.119 -33.296 -3.674 175 HE2 LYS 27 HE2 LYS 27 0.780 -33.531 -1.793 176 HE3 LYS 27 HE3 LYS 27 0.854 -34.369 -3.342 177 HZ1 LYS 27 HZ1 LYS 27 3.253 -34.822 -1.968 178 HZ2 LYS 27 HZ2 LYS 27 2.062 -35.944 -2.396 179 HZ3 LYS 27 HZ3 LYS 27 1.976 -35.148 -0.906 180 H HIS 28 H HIS 28 3.747 -28.450 -0.861 181 HA HIS 28 HA HIS 28 2.964 -28.986 1.833 182 HB2 HIS 28 HB2 HIS 28 5.197 -27.685 0.466 183 HB3 HIS 28 HB3 HIS 28 4.748 -26.879 1.966 184 HD1 HIS 28 HD1 HIS 28 4.552 -28.651 4.091 185 HD2 HIS 28 HD2 HIS 28 6.890 -29.757 0.840 186 HE1 HIS 28 HE1 HIS 28 6.071 -30.466 4.941 187 H LYS 29 H LYS 29 2.093 -26.632 -0.475 188 HA LYS 29 HA LYS 29 0.780 -24.775 -0.408 189 HB2 LYS 29 HB2 LYS 29 -0.124 -25.755 2.300 190 HB3 LYS 29 HB3 LYS 29 -1.015 -24.739 1.175 191 HG2 LYS 29 HG2 LYS 29 -1.004 -26.678 -0.423 192 HG3 LYS 29 HG3 LYS 29 -0.363 -27.660 0.897 193 HD2 LYS 29 HD2 LYS 29 -2.903 -26.063 1.142 194 HD3 LYS 29 HD3 LYS 29 -2.877 -27.727 0.554 195 HE2 LYS 29 HE2 LYS 29 -1.853 -28.458 2.642 196 HE3 LYS 29 HE3 LYS 29 -1.829 -26.795 3.226 197 HZ1 LYS 29 HZ1 LYS 29 -3.721 -28.290 3.991 198 HZ2 LYS 29 HZ2 LYS 29 -4.353 -28.110 2.432 199 HZ3 LYS 29 HZ3 LYS 29 -4.135 -26.753 3.417 200 H TRP 30 H TRP 30 3.161 -23.959 0.044 201 HA TRP 30 HA TRP 30 2.875 -21.825 1.947 202 HB2 TRP 30 HB2 TRP 30 4.859 -22.342 3.275 203 HB3 TRP 30 HB3 TRP 30 3.677 -23.641 3.409 204 HD1 TRP 30 HD1 TRP 30 5.016 -24.356 0.204 205 HE1 TRP 30 HE1 TRP 30 6.992 -26.004 0.291 206 HE3 TRP 30 HE3 TRP 30 6.143 -24.010 5.178 207 HZ2 TRP 30 HZ2 TRP 30 8.789 -27.023 2.214 208 HZ3 TRP 30 HZ3 TRP 30 8.004 -25.355 6.062 209 HH2 TRP 30 HH2 TRP 30 9.298 -26.830 4.609 210 H CYS 31 H CYS 31 4.909 -20.428 1.955 211 HA CYS 31 HA CYS 31 5.717 -20.060 -0.802 212 HB2 CYS 31 HB2 CYS 31 6.354 -18.437 1.672 213 HB3 CYS 31 HB3 CYS 31 6.738 -17.969 0.019 214 H LYS 32 H LYS 32 7.097 -21.808 -1.181 215 HA LYS 32 HA LYS 32 9.568 -21.904 0.403 216 HB2 LYS 32 HB2 LYS 32 9.935 -24.100 -0.642 217 HB3 LYS 32 HB3 LYS 32 8.391 -24.028 0.197 218 HG2 LYS 32 HG2 LYS 32 7.503 -24.857 -1.662 219 HG3 LYS 32 HG3 LYS 32 7.749 -23.258 -2.367 220 HD2 LYS 32 HD2 LYS 32 8.698 -24.867 -3.857 221 HD3 LYS 32 HD3 LYS 32 10.028 -24.010 -3.074 222 HE2 LYS 32 HE2 LYS 32 10.441 -26.423 -3.189 223 HE3 LYS 32 HE3 LYS 32 10.329 -25.857 -1.523 224 HZ1 LYS 32 HZ1 LYS 32 8.546 -27.118 -1.145 225 HZ2 LYS 32 HZ2 LYS 32 8.972 -27.954 -2.552 226 HZ3 LYS 32 HZ3 LYS 32 7.814 -26.722 -2.618 227 H GLY 33 H GLY 33 11.459 -22.795 -1.145 228 HA2 GLY 33 HA2 GLY 33 11.815 -20.659 -3.104 229 HA3 GLY 33 HA3 GLY 33 13.073 -21.710 -2.471 230 H LYS 34 H LYS 34 11.545 -20.943 -5.206 231 HA LYS 34 HA LYS 34 10.923 -23.494 -6.312 232 HB2 LYS 34 HB2 LYS 34 10.172 -21.111 -7.062 233 HB3 LYS 34 HB3 LYS 34 11.672 -21.116 -7.981 234 HG2 LYS 34 HG2 LYS 34 10.955 -22.766 -9.407 235 HG3 LYS 34 HG3 LYS 34 9.801 -23.421 -8.242 236 HD2 LYS 34 HD2 LYS 34 8.552 -22.338 -9.964 237 HD3 LYS 34 HD3 LYS 34 8.461 -21.322 -8.524 238 HE2 LYS 34 HE2 LYS 34 9.798 -19.689 -9.427 239 HE3 LYS 34 HE3 LYS 34 10.629 -20.812 -10.501 240 HZ1 LYS 34 HZ1 LYS 34 9.245 -20.263 -12.119 241 HZ2 LYS 34 HZ2 LYS 34 8.495 -19.134 -11.108 242 HZ3 LYS 34 HZ3 LYS 34 7.905 -20.717 -11.192 243 H LEU 35 H LEU 35 12.431 -25.010 -6.562 244 HA LEU 35 HA LEU 35 15.169 -24.681 -6.662 245 HB2 LEU 35 HB2 LEU 35 15.321 -26.921 -7.250 246 HB3 LEU 35 HB3 LEU 35 13.778 -26.814 -6.406 247 HG LEU 35 HG LEU 35 14.087 -26.867 -9.407 248 HD11 LEU 35 HD11 LEU 35 13.218 -29.171 -9.226 249 HD12 LEU 35 HD12 LEU 35 13.381 -29.069 -7.473 250 HD13 LEU 35 HD13 LEU 35 14.813 -28.978 -8.497 251 HD21 LEU 35 HD21 LEU 35 11.581 -27.609 -8.991 252 HD22 LEU 35 HD22 LEU 35 12.037 -25.910 -9.124 253 HD23 LEU 35 HD23 LEU 35 11.792 -26.637 -7.535 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -0.467 -1.311 0.840 2 HA2 GLY 1 HA2 GLY 1 0.960 -0.351 -1.558 3 HA3 GLY 1 HA3 GLY 1 1.730 -0.318 0.021 4 H ASN 2 H ASN 2 3.401 -1.681 -0.676 5 HA ASN 2 HA ASN 2 3.126 -4.118 -1.978 6 HB2 ASN 2 HB2 ASN 2 5.184 -3.255 0.065 7 HB3 ASN 2 HB3 ASN 2 5.323 -4.701 -0.929 8 HD21 ASN 2 HD21 ASN 2 6.877 -4.305 -2.338 9 HD22 ASN 2 HD22 ASN 2 6.994 -2.905 -3.344 10 H ASP 3 H ASP 3 2.394 -6.064 -1.410 11 HA ASP 3 HA ASP 3 2.229 -6.780 1.422 12 HB2 ASP 3 HB2 ASP 3 -0.079 -6.563 -0.480 13 HB3 ASP 3 HB3 ASP 3 -0.116 -7.766 0.806 14 H CYS 4 H CYS 4 3.527 -8.506 1.453 15 HA CYS 4 HA CYS 4 2.811 -10.794 -0.202 16 HB2 CYS 4 HB2 CYS 4 5.298 -11.165 -0.675 17 HB3 CYS 4 HB3 CYS 4 4.489 -9.907 -1.604 18 H LEU 5 H LEU 5 4.430 -12.682 0.446 19 HA LEU 5 HA LEU 5 4.579 -12.667 3.388 20 HB2 LEU 5 HB2 LEU 5 4.175 -15.043 1.580 21 HB3 LEU 5 HB3 LEU 5 4.160 -15.046 3.343 22 HG LEU 5 HG LEU 5 2.154 -13.470 1.758 23 HD11 LEU 5 HD11 LEU 5 0.712 -15.588 2.415 24 HD12 LEU 5 HD12 LEU 5 2.270 -16.396 2.246 25 HD13 LEU 5 HD13 LEU 5 1.591 -15.498 0.889 26 HD21 LEU 5 HD21 LEU 5 0.906 -13.453 3.744 27 HD22 LEU 5 HD22 LEU 5 2.565 -13.137 4.252 28 HD23 LEU 5 HD23 LEU 5 1.868 -14.744 4.463 29 H GLY 6 H GLY 6 6.227 -14.144 4.314 30 HA2 GLY 6 HA2 GLY 6 8.739 -13.779 2.892 31 HA3 GLY 6 HA3 GLY 6 8.550 -14.295 4.561 32 H PHE 7 H PHE 7 10.036 -15.985 4.288 33 HA PHE 7 HA PHE 7 9.476 -18.043 2.322 34 HB2 PHE 7 HB2 PHE 7 11.795 -17.139 3.499 35 HB3 PHE 7 HB3 PHE 7 11.498 -18.649 4.355 36 HD1 PHE 7 HD1 PHE 7 10.904 -20.693 2.818 37 HD2 PHE 7 HD2 PHE 7 12.960 -17.199 1.521 38 HE1 PHE 7 HE1 PHE 7 11.846 -21.954 0.926 39 HE2 PHE 7 HE2 PHE 7 13.904 -18.453 -0.374 40 HZ PHE 7 HZ PHE 7 13.347 -20.834 -0.674 41 H TRP 8 H TRP 8 9.027 -20.223 2.832 42 HA TRP 8 HA TRP 8 7.800 -21.843 3.861 43 HB2 TRP 8 HB2 TRP 8 8.985 -20.824 6.441 44 HB3 TRP 8 HB3 TRP 8 8.513 -22.473 6.037 45 HD1 TRP 8 HD1 TRP 8 11.505 -20.450 6.378 46 HE1 TRP 8 HE1 TRP 8 13.505 -21.505 5.148 47 HE3 TRP 8 HE3 TRP 8 8.990 -23.845 3.500 48 HZ2 TRP 8 HZ2 TRP 8 13.957 -23.510 3.213 49 HZ3 TRP 8 HZ3 TRP 8 10.280 -25.293 1.986 50 HH2 TRP 8 HH2 TRP 8 12.712 -25.127 1.847 51 H SER 9 H SER 9 6.546 -19.241 3.540 52 HA SER 9 HA SER 9 4.823 -19.061 5.904 53 HB2 SER 9 HB2 SER 9 5.964 -17.044 4.621 54 HB3 SER 9 HB3 SER 9 4.549 -17.200 3.580 55 HG SER 9 HG SER 9 4.191 -17.148 6.359 56 H ALA 10 H ALA 10 2.908 -20.017 5.913 57 HA ALA 10 HA ALA 10 1.873 -21.586 3.897 58 HB1 ALA 10 HB1 ALA 10 0.194 -22.024 5.329 59 HB2 ALA 10 HB2 ALA 10 1.180 -21.103 6.465 60 HB3 ALA 10 HB3 ALA 10 -0.150 -20.318 5.614 61 H CYS 11 H CYS 11 0.569 -21.294 2.165 62 HA CYS 11 HA CYS 11 -0.811 -18.778 1.752 63 HB2 CYS 11 HB2 CYS 11 0.229 -18.498 -0.527 64 HB3 CYS 11 HB3 CYS 11 1.307 -18.170 0.825 65 H ASN 12 H ASN 12 -1.658 -18.937 -0.749 66 HA ASN 12 HA ASN 12 -3.020 -21.542 -0.863 67 HB2 ASN 12 HB2 ASN 12 -4.143 -19.058 -0.731 68 HB3 ASN 12 HB3 ASN 12 -4.115 -19.329 -2.471 69 HD21 ASN 12 HD21 ASN 12 -5.875 -20.216 -3.243 70 HD22 ASN 12 HD22 ASN 12 -6.931 -21.295 -2.404 71 HA PRO 13 HA PRO 13 -0.940 -22.442 -4.643 72 HB2 PRO 13 HB2 PRO 13 -2.651 -24.315 -5.610 73 HB3 PRO 13 HB3 PRO 13 -1.541 -24.629 -4.271 74 HG2 PRO 13 HG2 PRO 13 -4.456 -23.952 -4.196 75 HG3 PRO 13 HG3 PRO 13 -3.563 -25.160 -3.254 76 HD2 PRO 13 HD2 PRO 13 -4.250 -22.743 -2.245 77 HD3 PRO 13 HD3 PRO 13 -2.769 -23.594 -1.762 78 H LYS 14 H LYS 14 -4.188 -21.257 -4.506 79 HA LYS 14 HA LYS 14 -4.289 -20.820 -7.395 80 HB2 LYS 14 HB2 LYS 14 -6.406 -20.086 -5.377 81 HB3 LYS 14 HB3 LYS 14 -6.595 -20.294 -7.113 82 HG2 LYS 14 HG2 LYS 14 -5.996 -22.716 -6.774 83 HG3 LYS 14 HG3 LYS 14 -6.136 -22.420 -5.039 84 HD2 LYS 14 HD2 LYS 14 -8.467 -21.411 -5.742 85 HD3 LYS 14 HD3 LYS 14 -8.248 -22.463 -7.142 86 HE2 LYS 14 HE2 LYS 14 -7.835 -23.547 -4.389 87 HE3 LYS 14 HE3 LYS 14 -9.472 -23.345 -5.011 88 HZ1 LYS 14 HZ1 LYS 14 -7.488 -25.308 -5.687 89 HZ2 LYS 14 HZ2 LYS 14 -8.178 -24.578 -7.048 90 HZ3 LYS 14 HZ3 LYS 14 -9.165 -25.346 -5.908 91 H ASN 15 H ASN 15 -3.525 -19.183 -4.496 92 HA ASN 15 HA ASN 15 -3.220 -16.686 -5.991 93 HB2 ASN 15 HB2 ASN 15 -5.388 -16.701 -4.637 94 HB3 ASN 15 HB3 ASN 15 -4.368 -16.686 -3.202 95 HD21 ASN 15 HD21 ASN 15 -5.192 -14.681 -2.586 96 HD22 ASN 15 HD22 ASN 15 -4.721 -13.220 -3.378 97 H ASP 16 H ASP 16 -0.990 -17.140 -5.993 98 HA ASP 16 HA ASP 16 0.439 -17.544 -3.532 99 HB2 ASP 16 HB2 ASP 16 1.419 -18.564 -5.426 100 HB3 ASP 16 HB3 ASP 16 1.286 -17.093 -6.387 101 H LYS 17 H LYS 17 0.663 -15.947 -2.116 102 HA LYS 17 HA LYS 17 1.118 -13.219 -3.130 103 HB2 LYS 17 HB2 LYS 17 -0.260 -14.271 -0.688 104 HB3 LYS 17 HB3 LYS 17 0.460 -12.667 -0.649 105 HG2 LYS 17 HG2 LYS 17 -1.412 -13.428 -2.851 106 HG3 LYS 17 HG3 LYS 17 -2.031 -12.924 -1.276 107 HD2 LYS 17 HD2 LYS 17 -0.698 -10.840 -1.477 108 HD3 LYS 17 HD3 LYS 17 -0.224 -11.339 -3.102 109 HE2 LYS 17 HE2 LYS 17 -2.534 -11.304 -3.822 110 HE3 LYS 17 HE3 LYS 17 -3.068 -10.924 -2.185 111 HZ1 LYS 17 HZ1 LYS 17 -1.238 -8.984 -2.773 112 HZ2 LYS 17 HZ2 LYS 17 -2.920 -8.808 -2.794 113 HZ3 LYS 17 HZ3 LYS 17 -2.091 -9.178 -4.222 114 H CYS 18 H CYS 18 3.136 -15.329 -2.780 115 HA CYS 18 HA CYS 18 4.658 -14.661 -0.437 116 HB2 CYS 18 HB2 CYS 18 5.637 -16.146 -2.877 117 HB3 CYS 18 HB3 CYS 18 6.277 -16.228 -1.239 118 H CYS 19 H CYS 19 7.010 -14.015 -0.695 119 HA CYS 19 HA CYS 19 7.239 -11.890 -2.726 120 HB2 CYS 19 HB2 CYS 19 7.163 -11.565 0.030 121 HB3 CYS 19 HB3 CYS 19 8.881 -11.492 -0.349 122 H ALA 20 H ALA 20 9.781 -11.150 -2.550 123 HA ALA 20 HA ALA 20 11.855 -11.670 -3.341 124 HB1 ALA 20 HB1 ALA 20 11.673 -14.158 -1.665 125 HB2 ALA 20 HB2 ALA 20 13.102 -13.206 -2.067 126 HB3 ALA 20 HB3 ALA 20 11.893 -12.556 -0.961 127 H ASN 21 H ASN 21 9.510 -12.712 -4.798 128 HA ASN 21 HA ASN 21 9.076 -13.989 -6.629 129 HB2 ASN 21 HB2 ASN 21 11.960 -14.822 -6.737 130 HB3 ASN 21 HB3 ASN 21 10.845 -14.515 -8.065 131 HD21 ASN 21 HD21 ASN 21 13.519 -13.390 -6.749 132 HD22 ASN 21 HD22 ASN 21 13.347 -11.694 -7.035 133 H LEU 22 H LEU 22 8.986 -15.141 -3.945 134 HA LEU 22 HA LEU 22 9.970 -17.803 -4.000 135 HB2 LEU 22 HB2 LEU 22 7.936 -16.359 -2.339 136 HB3 LEU 22 HB3 LEU 22 8.183 -18.095 -2.163 137 HG LEU 22 HG LEU 22 10.531 -16.267 -1.935 138 HD11 LEU 22 HD11 LEU 22 10.008 -15.439 0.089 139 HD12 LEU 22 HD12 LEU 22 9.116 -16.881 0.570 140 HD13 LEU 22 HD13 LEU 22 8.350 -15.674 -0.462 141 HD21 LEU 22 HD21 LEU 22 9.906 -19.034 -1.461 142 HD22 LEU 22 HD22 LEU 22 10.514 -18.276 0.011 143 HD23 LEU 22 HD23 LEU 22 11.472 -18.224 -1.469 144 H VAL 23 H VAL 23 8.166 -19.598 -3.509 145 HA VAL 23 HA VAL 23 6.071 -19.400 -5.561 146 HB VAL 23 HB VAL 23 7.886 -20.643 -6.588 147 HG11 VAL 23 HG11 VAL 23 7.763 -22.267 -4.067 148 HG12 VAL 23 HG12 VAL 23 8.462 -22.910 -5.554 149 HG13 VAL 23 HG13 VAL 23 9.154 -21.472 -4.802 150 HG21 VAL 23 HG21 VAL 23 5.348 -21.363 -6.651 151 HG22 VAL 23 HG22 VAL 23 6.593 -22.324 -7.448 152 HG23 VAL 23 HG23 VAL 23 5.980 -22.811 -5.868 153 H CYS 24 H CYS 24 4.177 -20.479 -5.118 154 HA CYS 24 HA CYS 24 3.884 -21.395 -2.355 155 HB2 CYS 24 HB2 CYS 24 2.373 -19.624 -3.486 156 HB3 CYS 24 HB3 CYS 24 1.622 -20.995 -4.295 157 H SER 25 H SER 25 4.560 -23.491 -2.318 158 HA SER 25 HA SER 25 4.110 -25.406 -4.315 159 HB2 SER 25 HB2 SER 25 5.802 -25.879 -2.719 160 HB3 SER 25 HB3 SER 25 4.696 -25.651 -1.364 161 HG SER 25 HG SER 25 4.881 -27.806 -3.167 162 H SER 26 H SER 26 2.300 -26.344 -4.960 163 HA SER 26 HA SER 26 -0.177 -25.964 -3.631 164 HB2 SER 26 HB2 SER 26 -0.671 -28.001 -5.391 165 HB3 SER 26 HB3 SER 26 -0.690 -26.288 -5.811 166 HG SER 26 HG SER 26 0.646 -27.521 -7.213 167 H LYS 27 H LYS 27 2.335 -28.122 -3.087 168 HA LYS 27 HA LYS 27 0.627 -30.238 -2.027 169 HB2 LYS 27 HB2 LYS 27 3.590 -29.975 -2.475 170 HB3 LYS 27 HB3 LYS 27 2.931 -31.268 -1.482 171 HG2 LYS 27 HG2 LYS 27 1.981 -30.793 -4.286 172 HG3 LYS 27 HG3 LYS 27 3.402 -31.779 -3.931 173 HD2 LYS 27 HD2 LYS 27 0.757 -32.285 -2.600 174 HD3 LYS 27 HD3 LYS 27 1.147 -32.973 -4.178 175 HE2 LYS 27 HE2 LYS 27 2.780 -33.342 -1.669 176 HE3 LYS 27 HE3 LYS 27 1.630 -34.514 -2.309 177 HZ1 LYS 27 HZ1 LYS 27 3.382 -35.328 -3.394 178 HZ2 LYS 27 HZ2 LYS 27 4.319 -33.942 -3.149 179 HZ3 LYS 27 HZ3 LYS 27 3.221 -34.004 -4.434 180 H HIS 28 H HIS 28 3.490 -28.502 -0.789 181 HA HIS 28 HA HIS 28 2.784 -29.019 1.930 182 HB2 HIS 28 HB2 HIS 28 5.008 -27.788 0.488 183 HB3 HIS 28 HB3 HIS 28 4.635 -26.967 2.000 184 HD1 HIS 28 HD1 HIS 28 4.464 -28.723 4.136 185 HD2 HIS 28 HD2 HIS 28 6.641 -29.917 0.806 186 HE1 HIS 28 HE1 HIS 28 5.952 -30.585 4.938 187 H LYS 29 H LYS 29 1.906 -26.636 -0.346 188 HA LYS 29 HA LYS 29 0.652 -24.741 -0.231 189 HB2 LYS 29 HB2 LYS 29 -0.183 -25.705 2.504 190 HB3 LYS 29 HB3 LYS 29 -1.080 -24.649 1.421 191 HG2 LYS 29 HG2 LYS 29 -1.121 -26.614 -0.198 192 HG3 LYS 29 HG3 LYS 29 -0.586 -27.596 1.169 193 HD2 LYS 29 HD2 LYS 29 -2.572 -26.633 2.435 194 HD3 LYS 29 HD3 LYS 29 -3.145 -26.041 0.874 195 HE2 LYS 29 HE2 LYS 29 -2.383 -28.914 1.196 196 HE3 LYS 29 HE3 LYS 29 -3.952 -28.352 1.771 197 HZ1 LYS 29 HZ1 LYS 29 -4.615 -28.718 -0.311 198 HZ2 LYS 29 HZ2 LYS 29 -3.039 -28.790 -0.918 199 HZ3 LYS 29 HZ3 LYS 29 -3.798 -27.292 -0.712 200 H TRP 30 H TRP 30 3.071 -23.997 0.136 201 HA TRP 30 HA TRP 30 2.917 -21.858 2.049 202 HB2 TRP 30 HB2 TRP 30 4.931 -22.436 3.304 203 HB3 TRP 30 HB3 TRP 30 3.715 -23.698 3.482 204 HD1 TRP 30 HD1 TRP 30 4.919 -24.449 0.229 205 HE1 TRP 30 HE1 TRP 30 6.842 -26.159 0.247 206 HE3 TRP 30 HE3 TRP 30 6.226 -24.150 5.163 207 HZ2 TRP 30 HZ2 TRP 30 8.672 -27.238 2.106 208 HZ3 TRP 30 HZ3 TRP 30 8.073 -25.555 5.980 209 HH2 TRP 30 HH2 TRP 30 9.269 -27.067 4.482 210 H CYS 31 H CYS 31 4.991 -20.523 1.985 211 HA CYS 31 HA CYS 31 5.711 -20.174 -0.798 212 HB2 CYS 31 HB2 CYS 31 6.482 -18.578 1.655 213 HB3 CYS 31 HB3 CYS 31 6.829 -18.118 -0.009 214 H LYS 32 H LYS 32 7.023 -21.964 -1.228 215 HA LYS 32 HA LYS 32 9.545 -22.138 0.266 216 HB2 LYS 32 HB2 LYS 32 9.806 -24.343 -0.789 217 HB3 LYS 32 HB3 LYS 32 8.293 -24.224 0.098 218 HG2 LYS 32 HG2 LYS 32 7.324 -25.026 -1.732 219 HG3 LYS 32 HG3 LYS 32 7.590 -23.431 -2.441 220 HD2 LYS 32 HD2 LYS 32 8.440 -25.077 -3.961 221 HD3 LYS 32 HD3 LYS 32 9.813 -24.235 -3.238 222 HE2 LYS 32 HE2 LYS 32 10.579 -26.330 -2.908 223 HE3 LYS 32 HE3 LYS 32 9.529 -26.268 -1.493 224 HZ1 LYS 32 HZ1 LYS 32 9.415 -28.084 -3.553 225 HZ2 LYS 32 HZ2 LYS 32 8.086 -27.069 -3.806 226 HZ3 LYS 32 HZ3 LYS 32 8.268 -27.871 -2.328 227 H GLY 33 H GLY 33 11.349 -23.087 -1.352 228 HA2 GLY 33 HA2 GLY 33 11.699 -20.958 -3.321 229 HA3 GLY 33 HA3 GLY 33 12.947 -22.046 -2.734 230 H LYS 34 H LYS 34 11.313 -21.237 -5.406 231 HA LYS 34 HA LYS 34 10.619 -23.786 -6.481 232 HB2 LYS 34 HB2 LYS 34 9.829 -21.396 -7.179 233 HB3 LYS 34 HB3 LYS 34 11.272 -21.406 -8.185 234 HG2 LYS 34 HG2 LYS 34 10.473 -23.087 -9.547 235 HG3 LYS 34 HG3 LYS 34 9.347 -23.684 -8.326 236 HD2 LYS 34 HD2 LYS 34 8.082 -22.585 -10.040 237 HD3 LYS 34 HD3 LYS 34 8.047 -21.571 -8.596 238 HE2 LYS 34 HE2 LYS 34 10.025 -20.334 -9.623 239 HE3 LYS 34 HE3 LYS 34 9.633 -21.181 -11.119 240 HZ1 LYS 34 HZ1 LYS 34 7.803 -19.392 -9.611 241 HZ2 LYS 34 HZ2 LYS 34 7.418 -20.212 -11.040 242 HZ3 LYS 34 HZ3 LYS 34 8.602 -19.004 -11.051 243 H LEU 35 H LEU 35 12.155 -25.287 -6.733 244 HA LEU 35 HA LEU 35 14.798 -24.495 -7.709 245 HB2 LEU 35 HB2 LEU 35 13.704 -26.829 -6.238 246 HB3 LEU 35 HB3 LEU 35 15.101 -27.100 -7.278 247 HG LEU 35 HG LEU 35 15.793 -26.744 -4.980 248 HD11 LEU 35 HD11 LEU 35 16.749 -25.373 -7.222 249 HD12 LEU 35 HD12 LEU 35 17.618 -25.731 -5.730 250 HD13 LEU 35 HD13 LEU 35 16.758 -24.201 -5.904 251 HD21 LEU 35 HD21 LEU 35 15.411 -24.644 -3.837 252 HD22 LEU 35 HD22 LEU 35 13.869 -25.381 -4.273 253 HD23 LEU 35 HD23 LEU 35 14.500 -24.029 -5.216 Start of MODEL 15 1 H1 GLY 1 H GLY 1 0.706 0.899 -1.843 2 HA2 GLY 1 HA2 GLY 1 2.811 0.057 0.053 3 HA3 GLY 1 HA3 GLY 1 1.090 -0.061 0.389 4 H ASN 2 H ASN 2 3.492 -2.002 0.048 5 HA ASN 2 HA ASN 2 2.242 -3.818 -1.895 6 HB2 ASN 2 HB2 ASN 2 4.786 -3.114 -1.890 7 HB3 ASN 2 HB3 ASN 2 4.910 -4.370 -0.661 8 HD21 ASN 2 HD21 ASN 2 6.369 -5.147 -2.469 9 HD22 ASN 2 HD22 ASN 2 5.650 -6.203 -3.632 10 H ASP 3 H ASP 3 2.015 -6.064 -1.350 11 HA ASP 3 HA ASP 3 2.091 -6.721 1.498 12 HB2 ASP 3 HB2 ASP 3 -0.234 -5.839 0.648 13 HB3 ASP 3 HB3 ASP 3 -0.371 -7.454 -0.042 14 H CYS 4 H CYS 4 3.339 -8.464 1.570 15 HA CYS 4 HA CYS 4 2.671 -10.754 -0.102 16 HB2 CYS 4 HB2 CYS 4 5.166 -11.084 -0.560 17 HB3 CYS 4 HB3 CYS 4 4.346 -9.831 -1.486 18 H LEU 5 H LEU 5 4.292 -12.628 0.550 19 HA LEU 5 HA LEU 5 4.421 -12.626 3.493 20 HB2 LEU 5 HB2 LEU 5 4.079 -14.996 1.664 21 HB3 LEU 5 HB3 LEU 5 4.047 -15.013 3.426 22 HG LEU 5 HG LEU 5 2.027 -13.461 1.834 23 HD11 LEU 5 HD11 LEU 5 0.553 -15.504 2.282 24 HD12 LEU 5 HD12 LEU 5 2.065 -16.389 2.480 25 HD13 LEU 5 HD13 LEU 5 1.702 -15.596 0.948 26 HD21 LEU 5 HD21 LEU 5 0.708 -13.645 3.834 27 HD22 LEU 5 HD22 LEU 5 2.302 -13.023 4.261 28 HD23 LEU 5 HD23 LEU 5 1.902 -14.712 4.574 29 H GLY 6 H GLY 6 6.086 -14.076 4.429 30 HA2 GLY 6 HA2 GLY 6 8.605 -13.661 3.031 31 HA3 GLY 6 HA3 GLY 6 8.409 -14.182 4.698 32 H PHE 7 H PHE 7 9.931 -15.842 4.434 33 HA PHE 7 HA PHE 7 9.427 -17.908 2.462 34 HB2 PHE 7 HB2 PHE 7 11.717 -16.966 3.666 35 HB3 PHE 7 HB3 PHE 7 11.438 -18.482 4.516 36 HD1 PHE 7 HD1 PHE 7 10.901 -20.534 2.969 37 HD2 PHE 7 HD2 PHE 7 12.902 -16.999 1.698 38 HE1 PHE 7 HE1 PHE 7 11.886 -21.773 1.085 39 HE2 PHE 7 HE2 PHE 7 13.889 -18.231 -0.188 40 HZ PHE 7 HZ PHE 7 13.381 -20.621 -0.498 41 H TRP 8 H TRP 8 9.017 -20.099 2.966 42 HA TRP 8 HA TRP 8 7.806 -21.742 3.978 43 HB2 TRP 8 HB2 TRP 8 8.944 -20.706 6.572 44 HB3 TRP 8 HB3 TRP 8 8.508 -22.362 6.160 45 HD1 TRP 8 HD1 TRP 8 11.458 -20.283 6.537 46 HE1 TRP 8 HE1 TRP 8 13.491 -21.297 5.328 47 HE3 TRP 8 HE3 TRP 8 9.039 -23.721 3.628 48 HZ2 TRP 8 HZ2 TRP 8 14.001 -23.291 3.396 49 HZ3 TRP 8 HZ3 TRP 8 10.373 -25.142 2.126 50 HH2 TRP 8 HH2 TRP 8 12.803 -24.930 2.014 51 H SER 9 H SER 9 6.511 -19.160 3.649 52 HA SER 9 HA SER 9 4.759 -19.016 5.993 53 HB2 SER 9 HB2 SER 9 5.875 -16.974 4.741 54 HB3 SER 9 HB3 SER 9 4.491 -17.157 3.665 55 HG SER 9 HG SER 9 4.378 -16.808 6.481 56 H ALA 10 H ALA 10 2.864 -20.011 5.980 57 HA ALA 10 HA ALA 10 1.879 -21.592 3.949 58 HB1 ALA 10 HB1 ALA 10 0.483 -22.166 5.572 59 HB2 ALA 10 HB2 ALA 10 1.023 -20.784 6.526 60 HB3 ALA 10 HB3 ALA 10 -0.345 -20.615 5.425 61 H CYS 11 H CYS 11 0.581 -21.321 2.208 62 HA CYS 11 HA CYS 11 -0.840 -18.830 1.787 63 HB2 CYS 11 HB2 CYS 11 0.217 -18.524 -0.481 64 HB3 CYS 11 HB3 CYS 11 1.274 -18.177 0.884 65 H ASN 12 H ASN 12 -1.655 -18.998 -0.725 66 HA ASN 12 HA ASN 12 -2.966 -21.629 -0.861 67 HB2 ASN 12 HB2 ASN 12 -4.140 -19.169 -0.729 68 HB3 ASN 12 HB3 ASN 12 -4.089 -19.430 -2.470 69 HD21 ASN 12 HD21 ASN 12 -5.829 -20.339 -3.260 70 HD22 ASN 12 HD22 ASN 12 -6.869 -21.447 -2.439 71 HA PRO 13 HA PRO 13 -0.833 -22.472 -4.624 72 HB2 PRO 13 HB2 PRO 13 -2.498 -24.372 -5.616 73 HB3 PRO 13 HB3 PRO 13 -1.396 -24.671 -4.268 74 HG2 PRO 13 HG2 PRO 13 -4.324 -24.050 -4.219 75 HG3 PRO 13 HG3 PRO 13 -3.418 -25.246 -3.273 76 HD2 PRO 13 HD2 PRO 13 -4.160 -22.847 -2.261 77 HD3 PRO 13 HD3 PRO 13 -2.668 -23.671 -1.766 78 H LYS 14 H LYS 14 -4.094 -21.333 -4.509 79 HA LYS 14 HA LYS 14 -4.178 -20.889 -7.399 80 HB2 LYS 14 HB2 LYS 14 -6.330 -20.212 -5.396 81 HB3 LYS 14 HB3 LYS 14 -6.497 -20.404 -7.137 82 HG2 LYS 14 HG2 LYS 14 -5.858 -22.818 -6.819 83 HG3 LYS 14 HG3 LYS 14 -6.019 -22.544 -5.082 84 HD2 LYS 14 HD2 LYS 14 -8.250 -21.782 -6.919 85 HD3 LYS 14 HD3 LYS 14 -8.037 -23.471 -6.454 86 HE2 LYS 14 HE2 LYS 14 -8.158 -22.839 -4.097 87 HE3 LYS 14 HE3 LYS 14 -8.347 -21.147 -4.554 88 HZ1 LYS 14 HZ1 LYS 14 -10.338 -22.200 -5.924 89 HZ2 LYS 14 HZ2 LYS 14 -10.514 -21.688 -4.322 90 HZ3 LYS 14 HZ3 LYS 14 -10.277 -23.328 -4.664 91 H ASN 15 H ASN 15 -3.490 -19.252 -4.477 92 HA ASN 15 HA ASN 15 -3.216 -16.741 -5.957 93 HB2 ASN 15 HB2 ASN 15 -5.394 -16.806 -4.622 94 HB3 ASN 15 HB3 ASN 15 -4.387 -16.786 -3.177 95 HD21 ASN 15 HD21 ASN 15 -5.609 -14.794 -2.787 96 HD22 ASN 15 HD22 ASN 15 -5.019 -13.320 -3.469 97 H ASP 16 H ASP 16 -0.976 -17.161 -5.944 98 HA ASP 16 HA ASP 16 0.438 -17.542 -3.470 99 HB2 ASP 16 HB2 ASP 16 1.453 -18.549 -5.349 100 HB3 ASP 16 HB3 ASP 16 1.298 -17.087 -6.320 101 H LYS 17 H LYS 17 0.625 -15.939 -2.056 102 HA LYS 17 HA LYS 17 1.047 -13.206 -3.070 103 HB2 LYS 17 HB2 LYS 17 -0.337 -14.273 -0.638 104 HB3 LYS 17 HB3 LYS 17 0.355 -12.657 -0.599 105 HG2 LYS 17 HG2 LYS 17 -1.525 -13.501 -2.775 106 HG3 LYS 17 HG3 LYS 17 -2.109 -12.894 -1.224 107 HD2 LYS 17 HD2 LYS 17 -1.099 -10.787 -1.555 108 HD3 LYS 17 HD3 LYS 17 -0.111 -11.384 -2.891 109 HE2 LYS 17 HE2 LYS 17 -3.118 -11.134 -2.914 110 HE3 LYS 17 HE3 LYS 17 -1.996 -9.994 -3.654 111 HZ1 LYS 17 HZ1 LYS 17 -1.423 -12.611 -4.539 112 HZ2 LYS 17 HZ2 LYS 17 -1.891 -11.264 -5.448 113 HZ3 LYS 17 HZ3 LYS 17 -3.065 -12.287 -4.787 114 H CYS 18 H CYS 18 3.089 -15.292 -2.689 115 HA CYS 18 HA CYS 18 4.579 -14.598 -0.336 116 HB2 CYS 18 HB2 CYS 18 5.606 -16.061 -2.769 117 HB3 CYS 18 HB3 CYS 18 6.233 -16.135 -1.126 118 H CYS 19 H CYS 19 6.921 -13.910 -0.567 119 HA CYS 19 HA CYS 19 7.134 -11.776 -2.589 120 HB2 CYS 19 HB2 CYS 19 7.028 -11.461 0.166 121 HB3 CYS 19 HB3 CYS 19 8.749 -11.363 -0.196 122 H ALA 20 H ALA 20 9.662 -10.995 -2.391 123 HA ALA 20 HA ALA 20 11.749 -11.479 -3.168 124 HB1 ALA 20 HB1 ALA 20 12.177 -12.196 -0.949 125 HB2 ALA 20 HB2 ALA 20 11.341 -13.728 -1.210 126 HB3 ALA 20 HB3 ALA 20 12.877 -13.413 -2.018 127 H ASN 21 H ASN 21 9.437 -12.552 -4.649 128 HA ASN 21 HA ASN 21 9.036 -13.835 -6.483 129 HB2 ASN 21 HB2 ASN 21 11.936 -14.614 -6.572 130 HB3 ASN 21 HB3 ASN 21 10.825 -14.327 -7.909 131 HD21 ASN 21 HD21 ASN 21 13.420 -13.121 -6.387 132 HD22 ASN 21 HD22 ASN 21 13.235 -11.440 -6.745 133 H LEU 22 H LEU 22 8.945 -14.996 -3.805 134 HA LEU 22 HA LEU 22 9.980 -17.639 -3.857 135 HB2 LEU 22 HB2 LEU 22 7.903 -16.238 -2.212 136 HB3 LEU 22 HB3 LEU 22 8.183 -17.970 -2.037 137 HG LEU 22 HG LEU 22 10.491 -16.095 -1.784 138 HD11 LEU 22 HD11 LEU 22 9.093 -16.740 0.715 139 HD12 LEU 22 HD12 LEU 22 8.274 -15.572 -0.322 140 HD13 LEU 22 HD13 LEU 22 9.923 -15.264 0.222 141 HD21 LEU 22 HD21 LEU 22 9.920 -18.875 -1.325 142 HD22 LEU 22 HD22 LEU 22 10.496 -18.110 0.156 143 HD23 LEU 22 HD23 LEU 22 11.469 -18.032 -1.314 144 H VAL 23 H VAL 23 8.207 -19.469 -3.388 145 HA VAL 23 HA VAL 23 6.129 -19.306 -5.460 146 HB VAL 23 HB VAL 23 7.976 -20.516 -6.467 147 HG11 VAL 23 HG11 VAL 23 8.573 -22.778 -5.426 148 HG12 VAL 23 HG12 VAL 23 9.241 -21.329 -4.673 149 HG13 VAL 23 HG13 VAL 23 7.854 -22.142 -3.947 150 HG21 VAL 23 HG21 VAL 23 5.480 -21.260 -6.627 151 HG22 VAL 23 HG22 VAL 23 6.748 -22.279 -7.308 152 HG23 VAL 23 HG23 VAL 23 6.045 -22.676 -5.740 153 H CYS 24 H CYS 24 4.249 -20.419 -5.037 154 HA CYS 24 HA CYS 24 3.944 -21.343 -2.278 155 HB2 CYS 24 HB2 CYS 24 2.415 -19.594 -3.420 156 HB3 CYS 24 HB3 CYS 24 1.695 -20.976 -4.241 157 H SER 25 H SER 25 4.660 -23.427 -2.244 158 HA SER 25 HA SER 25 4.260 -25.345 -4.246 159 HB2 SER 25 HB2 SER 25 5.942 -25.798 -2.638 160 HB3 SER 25 HB3 SER 25 4.824 -25.583 -1.292 161 HG SER 25 HG SER 25 5.399 -27.815 -2.659 162 H SER 26 H SER 26 2.471 -26.311 -4.912 163 HA SER 26 HA SER 26 -0.025 -25.975 -3.607 164 HB2 SER 26 HB2 SER 26 -0.467 -28.016 -5.377 165 HB3 SER 26 HB3 SER 26 -0.511 -26.303 -5.792 166 HG SER 26 HG SER 26 1.380 -26.471 -6.770 167 H LYS 27 H LYS 27 2.518 -28.094 -3.045 168 HA LYS 27 HA LYS 27 0.834 -30.239 -2.006 169 HB2 LYS 27 HB2 LYS 27 3.721 -29.930 -2.651 170 HB3 LYS 27 HB3 LYS 27 3.299 -31.062 -1.373 171 HG2 LYS 27 HG2 LYS 27 3.278 -32.445 -3.188 172 HG3 LYS 27 HG3 LYS 27 1.585 -31.947 -3.145 173 HD2 LYS 27 HD2 LYS 27 1.908 -30.384 -4.899 174 HD3 LYS 27 HD3 LYS 27 3.664 -30.526 -4.795 175 HE2 LYS 27 HE2 LYS 27 2.793 -31.733 -6.729 176 HE3 LYS 27 HE3 LYS 27 3.530 -32.836 -5.569 177 HZ1 LYS 27 HZ1 LYS 27 0.622 -32.311 -5.567 178 HZ2 LYS 27 HZ2 LYS 27 1.457 -33.613 -4.884 179 HZ3 LYS 27 HZ3 LYS 27 1.303 -33.495 -6.564 180 H HIS 28 H HIS 28 3.657 -28.460 -0.736 181 HA HIS 28 HA HIS 28 2.934 -28.997 1.975 182 HB2 HIS 28 HB2 HIS 28 5.150 -27.725 0.556 183 HB3 HIS 28 HB3 HIS 28 4.749 -26.913 2.067 184 HD1 HIS 28 HD1 HIS 28 5.892 -30.248 0.739 185 HD2 HIS 28 HD2 HIS 28 5.507 -28.247 4.360 186 HE1 HIS 28 HE1 HIS 28 7.073 -31.686 2.431 187 H LYS 29 H LYS 29 2.037 -26.623 -0.303 188 HA LYS 29 HA LYS 29 0.751 -24.749 -0.196 189 HB2 LYS 29 HB2 LYS 29 -0.093 -25.747 2.525 190 HB3 LYS 29 HB3 LYS 29 -0.994 -24.686 1.450 191 HG2 LYS 29 HG2 LYS 29 -0.971 -26.647 -0.196 192 HG3 LYS 29 HG3 LYS 29 -0.487 -27.627 1.191 193 HD2 LYS 29 HD2 LYS 29 -2.506 -27.342 2.266 194 HD3 LYS 29 HD3 LYS 29 -2.854 -25.824 1.435 195 HE2 LYS 29 HE2 LYS 29 -4.335 -27.528 0.607 196 HE3 LYS 29 HE3 LYS 29 -3.186 -27.104 -0.661 197 HZ1 LYS 29 HZ1 LYS 29 -1.857 -29.079 0.152 198 HZ2 LYS 29 HZ2 LYS 29 -3.296 -29.427 -0.667 199 HZ3 LYS 29 HZ3 LYS 29 -3.235 -29.538 1.020 200 H TRP 30 H TRP 30 3.153 -23.964 0.197 201 HA TRP 30 HA TRP 30 2.944 -21.835 2.115 202 HB2 TRP 30 HB2 TRP 30 4.956 -22.383 3.387 203 HB3 TRP 30 HB3 TRP 30 3.760 -23.666 3.549 204 HD1 TRP 30 HD1 TRP 30 5.007 -24.384 0.305 205 HE1 TRP 30 HE1 TRP 30 6.959 -26.062 0.336 206 HE3 TRP 30 HE3 TRP 30 6.261 -24.083 5.253 207 HZ2 TRP 30 HZ2 TRP 30 8.787 -27.119 2.209 208 HZ3 TRP 30 HZ3 TRP 30 8.122 -25.460 6.084 209 HH2 TRP 30 HH2 TRP 30 9.358 -26.947 4.592 210 H CYS 31 H CYS 31 4.994 -20.464 2.074 211 HA CYS 31 HA CYS 31 5.736 -20.095 -0.701 212 HB2 CYS 31 HB2 CYS 31 6.452 -18.491 1.763 213 HB3 CYS 31 HB3 CYS 31 6.808 -18.022 0.103 214 H LYS 32 H LYS 32 7.083 -21.860 -1.122 215 HA LYS 32 HA LYS 32 9.593 -21.992 0.397 216 HB2 LYS 32 HB2 LYS 32 9.905 -24.189 -0.663 217 HB3 LYS 32 HB3 LYS 32 8.383 -24.100 0.213 218 HG2 LYS 32 HG2 LYS 32 7.451 -24.923 -1.629 219 HG3 LYS 32 HG3 LYS 32 7.676 -23.316 -2.323 220 HD2 LYS 32 HD2 LYS 32 8.579 -24.924 -3.852 221 HD3 LYS 32 HD3 LYS 32 9.925 -24.051 -3.116 222 HE2 LYS 32 HE2 LYS 32 10.747 -26.126 -2.797 223 HE3 LYS 32 HE3 LYS 32 9.685 -26.108 -1.390 224 HZ1 LYS 32 HZ1 LYS 32 8.643 -27.848 -2.238 225 HZ2 LYS 32 HZ2 LYS 32 9.597 -27.804 -3.634 226 HZ3 LYS 32 HZ3 LYS 32 8.156 -26.919 -3.566 227 H GLY 33 H GLY 33 11.431 -22.904 -1.205 228 HA2 GLY 33 HA2 GLY 33 11.760 -20.765 -3.167 229 HA3 GLY 33 HA3 GLY 33 13.024 -21.828 -2.566 230 H LYS 34 H LYS 34 11.382 -21.053 -5.251 231 HA LYS 34 HA LYS 34 10.592 -23.482 -6.390 232 HB2 LYS 34 HB2 LYS 34 10.237 -21.061 -7.226 233 HB3 LYS 34 HB3 LYS 34 11.806 -21.250 -7.997 234 HG2 LYS 34 HG2 LYS 34 10.779 -23.398 -9.011 235 HG3 LYS 34 HG3 LYS 34 9.236 -22.659 -8.576 236 HD2 LYS 34 HD2 LYS 34 11.338 -21.234 -10.194 237 HD3 LYS 34 HD3 LYS 34 10.061 -22.209 -10.925 238 HE2 LYS 34 HE2 LYS 34 9.440 -20.003 -8.987 239 HE3 LYS 34 HE3 LYS 34 9.682 -19.678 -10.703 240 HZ1 LYS 34 HZ1 LYS 34 7.574 -21.314 -9.429 241 HZ2 LYS 34 HZ2 LYS 34 7.934 -21.456 -11.076 242 HZ3 LYS 34 HZ3 LYS 34 7.394 -19.979 -10.452 243 H LEU 35 H LEU 35 11.853 -25.226 -6.507 244 HA LEU 35 HA LEU 35 14.708 -24.954 -6.992 245 HB2 LEU 35 HB2 LEU 35 14.085 -26.500 -5.284 246 HB3 LEU 35 HB3 LEU 35 12.949 -27.312 -6.359 247 HG LEU 35 HG LEU 35 14.836 -28.148 -7.696 248 HD11 LEU 35 HD11 LEU 35 16.392 -26.295 -7.165 249 HD12 LEU 35 HD12 LEU 35 17.106 -27.893 -6.953 250 HD13 LEU 35 HD13 LEU 35 16.586 -26.967 -5.545 251 HD21 LEU 35 HD21 LEU 35 15.167 -28.788 -4.769 252 HD22 LEU 35 HD22 LEU 35 15.571 -29.819 -6.142 253 HD23 LEU 35 HD23 LEU 35 13.885 -29.438 -5.792 Start of MODEL 16 1 H1 GLY 1 H GLY 1 5.921 0.022 1.050 2 HA2 GLY 1 HA2 GLY 1 3.657 -0.345 1.413 3 HA3 GLY 1 HA3 GLY 1 3.300 0.676 0.028 4 H ASN 2 H ASN 2 3.671 -2.527 1.177 5 HA ASN 2 HA ASN 2 2.567 -3.581 -1.266 6 HB2 ASN 2 HB2 ASN 2 5.130 -3.483 -1.547 7 HB3 ASN 2 HB3 ASN 2 5.174 -4.791 -0.369 8 HD21 ASN 2 HD21 ASN 2 3.426 -3.900 -3.328 9 HD22 ASN 2 HD22 ASN 2 3.481 -5.475 -4.036 10 H ASP 3 H ASP 3 2.057 -5.910 -1.069 11 HA ASP 3 HA ASP 3 1.870 -6.805 1.726 12 HB2 ASP 3 HB2 ASP 3 -0.431 -7.785 0.912 13 HB3 ASP 3 HB3 ASP 3 -0.318 -6.114 1.459 14 H CYS 4 H CYS 4 3.208 -8.507 1.738 15 HA CYS 4 HA CYS 4 2.572 -10.757 0.008 16 HB2 CYS 4 HB2 CYS 4 5.070 -11.066 -0.451 17 HB3 CYS 4 HB3 CYS 4 4.243 -9.803 -1.357 18 H LEU 5 H LEU 5 4.211 -12.631 0.626 19 HA LEU 5 HA LEU 5 4.335 -12.684 3.569 20 HB2 LEU 5 HB2 LEU 5 4.004 -15.020 1.695 21 HB3 LEU 5 HB3 LEU 5 3.976 -15.073 3.456 22 HG LEU 5 HG LEU 5 1.944 -13.506 1.894 23 HD11 LEU 5 HD11 LEU 5 0.514 -15.620 2.425 24 HD12 LEU 5 HD12 LEU 5 2.073 -16.442 2.410 25 HD13 LEU 5 HD13 LEU 5 1.521 -15.573 0.978 26 HD21 LEU 5 HD21 LEU 5 0.644 -13.673 3.888 27 HD22 LEU 5 HD22 LEU 5 2.257 -13.124 4.345 28 HD23 LEU 5 HD23 LEU 5 1.790 -14.805 4.608 29 H GLY 6 H GLY 6 6.010 -14.129 4.483 30 HA2 GLY 6 HA2 GLY 6 8.527 -13.681 3.092 31 HA3 GLY 6 HA3 GLY 6 8.334 -14.231 4.750 32 H PHE 7 H PHE 7 9.862 -15.881 4.461 33 HA PHE 7 HA PHE 7 9.370 -17.914 2.452 34 HB2 PHE 7 HB2 PHE 7 11.655 -16.979 3.670 35 HB3 PHE 7 HB3 PHE 7 11.386 -18.511 4.493 36 HD1 PHE 7 HD1 PHE 7 10.853 -20.537 2.908 37 HD2 PHE 7 HD2 PHE 7 12.844 -16.973 1.705 38 HE1 PHE 7 HE1 PHE 7 11.844 -21.738 1.002 39 HE2 PHE 7 HE2 PHE 7 13.837 -18.167 -0.203 40 HZ PHE 7 HZ PHE 7 13.337 -20.552 -0.558 41 H TRP 8 H TRP 8 8.967 -20.113 2.916 42 HA TRP 8 HA TRP 8 7.769 -21.781 3.902 43 HB2 TRP 8 HB2 TRP 8 8.902 -20.783 6.513 44 HB3 TRP 8 HB3 TRP 8 8.476 -22.435 6.072 45 HD1 TRP 8 HD1 TRP 8 11.413 -20.346 6.487 46 HE1 TRP 8 HE1 TRP 8 13.452 -21.325 5.259 47 HE3 TRP 8 HE3 TRP 8 9.014 -23.743 3.514 48 HZ2 TRP 8 HZ2 TRP 8 13.974 -23.279 3.290 49 HZ3 TRP 8 HZ3 TRP 8 10.356 -25.128 1.985 50 HH2 TRP 8 HH2 TRP 8 12.785 -24.899 1.877 51 H SER 9 H SER 9 6.461 -19.198 3.620 52 HA SER 9 HA SER 9 4.708 -19.108 5.966 53 HB2 SER 9 HB2 SER 9 5.816 -17.038 4.746 54 HB3 SER 9 HB3 SER 9 4.424 -17.205 3.677 55 HG SER 9 HG SER 9 4.084 -17.168 6.471 56 H ALA 10 H ALA 10 2.808 -20.095 5.933 57 HA ALA 10 HA ALA 10 1.832 -21.652 3.880 58 HB1 ALA 10 HB1 ALA 10 -0.302 -20.516 5.505 59 HB2 ALA 10 HB2 ALA 10 0.235 -22.189 5.344 60 HB3 ALA 10 HB3 ALA 10 1.061 -21.102 6.460 61 H CYS 11 H CYS 11 0.520 -21.366 2.148 62 HA CYS 11 HA CYS 11 -0.891 -18.867 1.746 63 HB2 CYS 11 HB2 CYS 11 0.173 -18.537 -0.515 64 HB3 CYS 11 HB3 CYS 11 1.227 -18.207 0.855 65 H ASN 12 H ASN 12 -1.699 -19.008 -0.770 66 HA ASN 12 HA ASN 12 -3.007 -21.639 -0.940 67 HB2 ASN 12 HB2 ASN 12 -4.187 -19.185 -0.773 68 HB3 ASN 12 HB3 ASN 12 -4.136 -19.419 -2.517 69 HD21 ASN 12 HD21 ASN 12 -5.867 -20.331 -3.326 70 HD22 ASN 12 HD22 ASN 12 -6.907 -21.450 -2.519 71 HA PRO 13 HA PRO 13 -0.873 -22.422 -4.716 72 HB2 PRO 13 HB2 PRO 13 -2.533 -24.313 -5.735 73 HB3 PRO 13 HB3 PRO 13 -1.429 -24.627 -4.391 74 HG2 PRO 13 HG2 PRO 13 -4.359 -24.016 -4.332 75 HG3 PRO 13 HG3 PRO 13 -3.449 -25.222 -3.404 76 HD2 PRO 13 HD2 PRO 13 -4.198 -22.840 -2.357 77 HD3 PRO 13 HD3 PRO 13 -2.703 -23.667 -1.875 78 H LYS 14 H LYS 14 -4.135 -21.291 -4.582 79 HA LYS 14 HA LYS 14 -4.221 -20.806 -7.466 80 HB2 LYS 14 HB2 LYS 14 -6.377 -20.165 -5.458 81 HB3 LYS 14 HB3 LYS 14 -6.542 -20.339 -7.200 82 HG2 LYS 14 HG2 LYS 14 -5.944 -22.745 -6.945 83 HG3 LYS 14 HG3 LYS 14 -5.998 -22.516 -5.196 84 HD2 LYS 14 HD2 LYS 14 -8.370 -21.567 -5.644 85 HD3 LYS 14 HD3 LYS 14 -8.230 -22.408 -7.190 86 HE2 LYS 14 HE2 LYS 14 -7.787 -24.505 -5.993 87 HE3 LYS 14 HE3 LYS 14 -7.955 -23.656 -4.457 88 HZ1 LYS 14 HZ1 LYS 14 -10.187 -23.581 -4.638 89 HZ2 LYS 14 HZ2 LYS 14 -9.955 -24.931 -5.630 90 HZ3 LYS 14 HZ3 LYS 14 -10.174 -23.403 -6.320 91 H ASN 15 H ASN 15 -3.533 -19.213 -4.522 92 HA ASN 15 HA ASN 15 -3.269 -16.678 -5.962 93 HB2 ASN 15 HB2 ASN 15 -5.450 -16.774 -4.631 94 HB3 ASN 15 HB3 ASN 15 -4.445 -16.765 -3.185 95 HD21 ASN 15 HD21 ASN 15 -4.834 -15.000 -6.237 96 HD22 ASN 15 HD22 ASN 15 -4.578 -13.431 -5.558 97 H ASP 16 H ASP 16 -1.029 -17.080 -5.950 98 HA ASP 16 HA ASP 16 0.382 -17.498 -3.480 99 HB2 ASP 16 HB2 ASP 16 1.404 -18.468 -5.376 100 HB3 ASP 16 HB3 ASP 16 1.248 -16.988 -6.319 101 H LYS 17 H LYS 17 0.558 -15.918 -2.038 102 HA LYS 17 HA LYS 17 0.967 -13.166 -3.005 103 HB2 LYS 17 HB2 LYS 17 -0.417 -14.284 -0.597 104 HB3 LYS 17 HB3 LYS 17 0.272 -12.667 -0.522 105 HG2 LYS 17 HG2 LYS 17 -1.634 -13.501 -2.687 106 HG3 LYS 17 HG3 LYS 17 -2.177 -12.845 -1.141 107 HD2 LYS 17 HD2 LYS 17 -1.363 -10.750 -1.590 108 HD3 LYS 17 HD3 LYS 17 -0.095 -11.353 -2.659 109 HE2 LYS 17 HE2 LYS 17 -1.715 -11.797 -4.393 110 HE3 LYS 17 HE3 LYS 17 -3.038 -11.347 -3.319 111 HZ1 LYS 17 HZ1 LYS 17 -0.983 -9.596 -4.525 112 HZ2 LYS 17 HZ2 LYS 17 -1.895 -9.103 -3.189 113 HZ3 LYS 17 HZ3 LYS 17 -2.667 -9.480 -4.647 114 H CYS 18 H CYS 18 3.020 -15.249 -2.656 115 HA CYS 18 HA CYS 18 4.504 -14.585 -0.291 116 HB2 CYS 18 HB2 CYS 18 5.541 -16.005 -2.746 117 HB3 CYS 18 HB3 CYS 18 6.166 -16.102 -1.102 118 H CYS 19 H CYS 19 6.837 -13.874 -0.500 119 HA CYS 19 HA CYS 19 7.043 -11.709 -2.490 120 HB2 CYS 19 HB2 CYS 19 6.937 -11.444 0.271 121 HB3 CYS 19 HB3 CYS 19 8.656 -11.328 -0.092 122 H ALA 20 H ALA 20 9.567 -10.920 -2.277 123 HA ALA 20 HA ALA 20 11.657 -11.381 -3.063 124 HB1 ALA 20 HB1 ALA 20 11.447 -13.866 -1.374 125 HB2 ALA 20 HB2 ALA 20 12.913 -13.007 -1.850 126 HB3 ALA 20 HB3 ALA 20 11.778 -12.260 -0.725 127 H ASN 21 H ASN 21 9.348 -12.439 -4.562 128 HA ASN 21 HA ASN 21 8.952 -13.691 -6.418 129 HB2 ASN 21 HB2 ASN 21 11.848 -14.469 -6.539 130 HB3 ASN 21 HB3 ASN 21 10.735 -14.122 -7.860 131 HD21 ASN 21 HD21 ASN 21 13.423 -13.039 -6.703 132 HD22 ASN 21 HD22 ASN 21 13.223 -11.329 -6.843 133 H LEU 22 H LEU 22 8.869 -14.902 -3.763 134 HA LEU 22 HA LEU 22 9.922 -17.535 -3.862 135 HB2 LEU 22 HB2 LEU 22 7.835 -16.179 -2.194 136 HB3 LEU 22 HB3 LEU 22 8.125 -17.912 -2.050 137 HG LEU 22 HG LEU 22 10.422 -16.029 -1.761 138 HD11 LEU 22 HD11 LEU 22 9.831 -15.214 0.239 139 HD12 LEU 22 HD12 LEU 22 9.053 -16.717 0.735 140 HD13 LEU 22 HD13 LEU 22 8.184 -15.570 -0.285 141 HD21 LEU 22 HD21 LEU 22 10.443 -18.071 0.145 142 HD22 LEU 22 HD22 LEU 22 11.407 -17.971 -1.328 143 HD23 LEU 22 HD23 LEU 22 9.860 -18.820 -1.342 144 H VAL 23 H VAL 23 8.152 -19.382 -3.418 145 HA VAL 23 HA VAL 23 6.078 -19.198 -5.492 146 HB VAL 23 HB VAL 23 7.934 -20.378 -6.519 147 HG11 VAL 23 HG11 VAL 23 8.544 -22.654 -5.517 148 HG12 VAL 23 HG12 VAL 23 9.203 -21.214 -4.739 149 HG13 VAL 23 HG13 VAL 23 7.821 -22.048 -4.028 150 HG21 VAL 23 HG21 VAL 23 6.651 -21.984 -7.467 151 HG22 VAL 23 HG22 VAL 23 6.148 -22.655 -5.915 152 HG23 VAL 23 HG23 VAL 23 5.380 -21.193 -6.535 153 H CYS 24 H CYS 24 4.205 -20.329 -5.090 154 HA CYS 24 HA CYS 24 3.905 -21.303 -2.348 155 HB2 CYS 24 HB2 CYS 24 2.364 -19.546 -3.459 156 HB3 CYS 24 HB3 CYS 24 1.656 -20.917 -4.307 157 H SER 25 H SER 25 4.640 -23.382 -2.354 158 HA SER 25 HA SER 25 4.253 -25.269 -4.388 159 HB2 SER 25 HB2 SER 25 5.937 -25.746 -2.793 160 HB3 SER 25 HB3 SER 25 4.825 -25.545 -1.439 161 HG SER 25 HG SER 25 5.453 -27.785 -2.393 162 H SER 26 H SER 26 2.470 -26.232 -5.072 163 HA SER 26 HA SER 26 -0.028 -25.939 -3.760 164 HB2 SER 26 HB2 SER 26 -0.295 -26.143 -6.048 165 HB3 SER 26 HB3 SER 26 0.943 -27.391 -6.187 166 HG SER 26 HG SER 26 -0.596 -28.798 -6.061 167 H LYS 27 H LYS 27 2.529 -28.050 -3.238 168 HA LYS 27 HA LYS 27 0.861 -30.227 -2.241 169 HB2 LYS 27 HB2 LYS 27 3.702 -29.899 -2.978 170 HB3 LYS 27 HB3 LYS 27 3.399 -30.958 -1.607 171 HG2 LYS 27 HG2 LYS 27 1.750 -31.360 -4.037 172 HG3 LYS 27 HG3 LYS 27 3.447 -31.843 -4.102 173 HD2 LYS 27 HD2 LYS 27 2.370 -33.771 -3.368 174 HD3 LYS 27 HD3 LYS 27 2.958 -33.045 -1.871 175 HE2 LYS 27 HE2 LYS 27 0.251 -32.262 -2.787 176 HE3 LYS 27 HE3 LYS 27 0.449 -33.904 -2.176 177 HZ1 LYS 27 HZ1 LYS 27 1.702 -31.935 -0.512 178 HZ2 LYS 27 HZ2 LYS 27 0.623 -33.170 -0.096 179 HZ3 LYS 27 HZ3 LYS 27 0.035 -31.688 -0.662 180 H HIS 28 H HIS 28 3.671 -28.452 -0.937 181 HA HIS 28 HA HIS 28 2.953 -29.045 1.763 182 HB2 HIS 28 HB2 HIS 28 5.160 -27.730 0.369 183 HB3 HIS 28 HB3 HIS 28 4.753 -26.949 1.893 184 HD1 HIS 28 HD1 HIS 28 7.313 -28.827 1.088 185 HD2 HIS 28 HD2 HIS 28 4.120 -29.747 3.581 186 HE1 HIS 28 HE1 HIS 28 8.150 -30.648 2.608 187 H LYS 29 H LYS 29 2.038 -26.634 -0.469 188 HA LYS 29 HA LYS 29 0.737 -24.774 -0.326 189 HB2 LYS 29 HB2 LYS 29 -0.102 -25.805 2.383 190 HB3 LYS 29 HB3 LYS 29 -1.017 -24.764 1.300 191 HG2 LYS 29 HG2 LYS 29 -1.025 -26.687 -0.337 192 HG3 LYS 29 HG3 LYS 29 -0.401 -27.686 0.979 193 HD2 LYS 29 HD2 LYS 29 -2.355 -27.205 2.320 194 HD3 LYS 29 HD3 LYS 29 -2.959 -26.088 1.094 195 HE2 LYS 29 HE2 LYS 29 -2.401 -28.955 0.426 196 HE3 LYS 29 HE3 LYS 29 -3.920 -28.485 1.187 197 HZ1 LYS 29 HZ1 LYS 29 -3.042 -28.121 -1.524 198 HZ2 LYS 29 HZ2 LYS 29 -3.671 -26.708 -0.840 199 HZ3 LYS 29 HZ3 LYS 29 -4.609 -28.115 -0.887 200 H TRP 30 H TRP 30 3.133 -23.979 0.080 201 HA TRP 30 HA TRP 30 2.910 -21.886 2.037 202 HB2 TRP 30 HB2 TRP 30 4.926 -22.443 3.298 203 HB3 TRP 30 HB3 TRP 30 3.740 -23.738 3.437 204 HD1 TRP 30 HD1 TRP 30 4.990 -24.387 0.181 205 HE1 TRP 30 HE1 TRP 30 6.956 -26.049 0.179 206 HE3 TRP 30 HE3 TRP 30 6.247 -24.163 5.131 207 HZ2 TRP 30 HZ2 TRP 30 8.795 -27.124 2.031 208 HZ3 TRP 30 HZ3 TRP 30 8.121 -25.540 5.935 209 HH2 TRP 30 HH2 TRP 30 9.367 -26.989 4.416 210 H CYS 31 H CYS 31 4.950 -20.500 2.021 211 HA CYS 31 HA CYS 31 5.688 -20.075 -0.747 212 HB2 CYS 31 HB2 CYS 31 6.384 -18.510 1.747 213 HB3 CYS 31 HB3 CYS 31 6.749 -18.009 0.099 214 H LYS 32 H LYS 32 7.048 -21.823 -1.197 215 HA LYS 32 HA LYS 32 9.560 -21.961 0.318 216 HB2 LYS 32 HB2 LYS 32 9.888 -24.138 -0.774 217 HB3 LYS 32 HB3 LYS 32 8.363 -24.074 0.099 218 HG2 LYS 32 HG2 LYS 32 7.445 -24.877 -1.760 219 HG3 LYS 32 HG3 LYS 32 7.654 -23.256 -2.425 220 HD2 LYS 32 HD2 LYS 32 8.573 -24.843 -3.976 221 HD3 LYS 32 HD3 LYS 32 9.902 -23.946 -3.239 222 HE2 LYS 32 HE2 LYS 32 10.485 -25.762 -1.849 223 HE3 LYS 32 HE3 LYS 32 8.974 -26.605 -2.187 224 HZ1 LYS 32 HZ1 LYS 32 10.602 -26.038 -4.510 225 HZ2 LYS 32 HZ2 LYS 32 9.778 -27.452 -4.084 226 HZ3 LYS 32 HZ3 LYS 32 11.296 -27.123 -3.412 227 H GLY 33 H GLY 33 11.402 -22.834 -1.302 228 HA2 GLY 33 HA2 GLY 33 11.725 -20.655 -3.217 229 HA3 GLY 33 HA3 GLY 33 12.987 -21.740 -2.652 230 H LYS 34 H LYS 34 11.377 -20.879 -5.315 231 HA LYS 34 HA LYS 34 10.772 -23.443 -6.452 232 HB2 LYS 34 HB2 LYS 34 9.527 -21.552 -7.239 233 HB3 LYS 34 HB3 LYS 34 10.999 -20.677 -7.641 234 HG2 LYS 34 HG2 LYS 34 9.887 -21.546 -9.630 235 HG3 LYS 34 HG3 LYS 34 11.485 -22.262 -9.414 236 HD2 LYS 34 HD2 LYS 34 9.881 -23.965 -10.063 237 HD3 LYS 34 HD3 LYS 34 10.438 -24.251 -8.413 238 HE2 LYS 34 HE2 LYS 34 8.417 -23.392 -7.498 239 HE3 LYS 34 HE3 LYS 34 7.897 -22.773 -9.065 240 HZ1 LYS 34 HZ1 LYS 34 7.615 -25.403 -7.959 241 HZ2 LYS 34 HZ2 LYS 34 8.271 -25.424 -9.517 242 HZ3 LYS 34 HZ3 LYS 34 6.780 -24.675 -9.238 243 H LEU 35 H LEU 35 12.307 -24.844 -6.987 244 HA LEU 35 HA LEU 35 15.015 -24.355 -7.224 245 HB2 LEU 35 HB2 LEU 35 13.470 -26.565 -7.271 246 HB3 LEU 35 HB3 LEU 35 13.939 -26.476 -8.967 247 HG LEU 35 HG LEU 35 15.402 -27.962 -7.687 248 HD11 LEU 35 HD11 LEU 35 17.414 -27.221 -8.601 249 HD12 LEU 35 HD12 LEU 35 16.996 -25.521 -8.385 250 HD13 LEU 35 HD13 LEU 35 16.185 -26.477 -9.625 251 HD21 LEU 35 HD21 LEU 35 16.879 -25.952 -6.251 252 HD22 LEU 35 HD22 LEU 35 16.174 -27.460 -5.666 253 HD23 LEU 35 HD23 LEU 35 15.198 -25.991 -5.718 Start of MODEL 17 1 H1 GLY 1 H GLY 1 2.433 0.982 -2.027 2 HA2 GLY 1 HA2 GLY 1 1.078 -0.185 -0.390 3 HA3 GLY 1 HA3 GLY 1 -0.097 -0.490 -1.660 4 H ASN 2 H ASN 2 2.383 -1.812 0.121 5 HA ASN 2 HA ASN 2 2.754 -3.962 -1.861 6 HB2 ASN 2 HB2 ASN 2 4.963 -4.337 -0.527 7 HB3 ASN 2 HB3 ASN 2 4.891 -3.049 -1.726 8 HD21 ASN 2 HD21 ASN 2 6.461 -1.803 -0.794 9 HD22 ASN 2 HD22 ASN 2 6.251 -0.991 0.716 10 H ASP 3 H ASP 3 2.375 -6.007 -1.208 11 HA ASP 3 HA ASP 3 2.257 -6.679 1.608 12 HB2 ASP 3 HB2 ASP 3 -0.046 -5.744 0.696 13 HB3 ASP 3 HB3 ASP 3 -0.195 -7.376 0.052 14 H CYS 4 H CYS 4 3.474 -8.445 1.657 15 HA CYS 4 HA CYS 4 2.784 -10.689 -0.066 16 HB2 CYS 4 HB2 CYS 4 5.276 -11.048 -0.520 17 HB3 CYS 4 HB3 CYS 4 4.478 -9.766 -1.426 18 H LEU 5 H LEU 5 4.368 -12.601 0.556 19 HA LEU 5 HA LEU 5 4.486 -12.657 3.499 20 HB2 LEU 5 HB2 LEU 5 4.120 -14.984 1.620 21 HB3 LEU 5 HB3 LEU 5 4.082 -15.039 3.381 22 HG LEU 5 HG LEU 5 2.087 -13.440 1.801 23 HD11 LEU 5 HD11 LEU 5 1.595 -15.492 0.909 24 HD12 LEU 5 HD12 LEU 5 0.625 -15.537 2.380 25 HD13 LEU 5 HD13 LEU 5 2.177 -16.372 2.322 26 HD21 LEU 5 HD21 LEU 5 2.421 -13.061 4.264 27 HD22 LEU 5 HD22 LEU 5 1.867 -14.716 4.520 28 HD23 LEU 5 HD23 LEU 5 0.788 -13.527 3.788 29 H GLY 6 H GLY 6 6.128 -14.138 4.418 30 HA2 GLY 6 HA2 GLY 6 8.659 -13.737 3.038 31 HA3 GLY 6 HA3 GLY 6 8.448 -14.280 4.696 32 H PHE 7 H PHE 7 9.957 -15.952 4.402 33 HA PHE 7 HA PHE 7 9.431 -17.982 2.400 34 HB2 PHE 7 HB2 PHE 7 11.728 -17.088 3.626 35 HB3 PHE 7 HB3 PHE 7 11.426 -18.613 4.451 36 HD1 PHE 7 HD1 PHE 7 10.857 -20.630 2.863 37 HD2 PHE 7 HD2 PHE 7 12.931 -17.110 1.671 38 HE1 PHE 7 HE1 PHE 7 11.833 -21.852 0.963 39 HE2 PHE 7 HE2 PHE 7 13.909 -18.325 -0.231 40 HZ PHE 7 HZ PHE 7 13.360 -20.700 -0.588 41 H TRP 8 H TRP 8 8.979 -20.170 2.864 42 HA TRP 8 HA TRP 8 7.746 -21.814 3.847 43 HB2 TRP 8 HB2 TRP 8 8.889 -20.837 6.462 44 HB3 TRP 8 HB3 TRP 8 8.433 -22.480 6.020 45 HD1 TRP 8 HD1 TRP 8 11.409 -20.448 6.444 46 HE1 TRP 8 HE1 TRP 8 13.432 -21.467 5.223 47 HE3 TRP 8 HE3 TRP 8 8.955 -23.800 3.464 48 HZ2 TRP 8 HZ2 TRP 8 13.924 -23.432 3.257 49 HZ3 TRP 8 HZ3 TRP 8 10.276 -25.211 1.941 50 HH2 TRP 8 HH2 TRP 8 12.709 -25.029 1.841 51 H SER 9 H SER 9 6.491 -19.205 3.560 52 HA SER 9 HA SER 9 4.733 -19.077 5.901 53 HB2 SER 9 HB2 SER 9 5.886 -17.034 4.663 54 HB3 SER 9 HB3 SER 9 4.477 -17.173 3.612 55 HG SER 9 HG SER 9 4.611 -16.531 6.342 56 H ALA 10 H ALA 10 2.805 -20.008 5.866 57 HA ALA 10 HA ALA 10 1.806 -21.559 3.816 58 HB1 ALA 10 HB1 ALA 10 0.838 -20.570 6.359 59 HB2 ALA 10 HB2 ALA 10 -0.460 -20.722 5.174 60 HB3 ALA 10 HB3 ALA 10 0.546 -22.117 5.564 61 H CYS 11 H CYS 11 0.531 -21.248 2.066 62 HA CYS 11 HA CYS 11 -0.836 -18.725 1.651 63 HB2 CYS 11 HB2 CYS 11 0.248 -18.412 -0.598 64 HB3 CYS 11 HB3 CYS 11 1.308 -18.116 0.776 65 H ASN 12 H ASN 12 -1.626 -18.859 -0.873 66 HA ASN 12 HA ASN 12 -2.980 -21.467 -1.047 67 HB2 ASN 12 HB2 ASN 12 -4.124 -18.996 -0.879 68 HB3 ASN 12 HB3 ASN 12 -4.067 -19.226 -2.624 69 HD21 ASN 12 HD21 ASN 12 -5.855 -20.041 -3.409 70 HD22 ASN 12 HD22 ASN 12 -6.897 -21.173 -2.624 71 HA PRO 13 HA PRO 13 -0.844 -22.278 -4.815 72 HB2 PRO 13 HB2 PRO 13 -2.528 -24.143 -5.842 73 HB3 PRO 13 HB3 PRO 13 -1.434 -24.475 -4.494 74 HG2 PRO 13 HG2 PRO 13 -4.354 -23.820 -4.445 75 HG3 PRO 13 HG3 PRO 13 -3.466 -25.040 -3.515 76 HD2 PRO 13 HD2 PRO 13 -4.183 -22.648 -2.468 77 HD3 PRO 13 HD3 PRO 13 -2.702 -23.498 -1.982 78 H LYS 14 H LYS 14 -4.090 -21.100 -4.692 79 HA LYS 14 HA LYS 14 -4.165 -20.617 -7.575 80 HB2 LYS 14 HB2 LYS 14 -6.306 -19.913 -5.574 81 HB3 LYS 14 HB3 LYS 14 -6.474 -20.109 -7.313 82 HG2 LYS 14 HG2 LYS 14 -6.038 -22.502 -7.089 83 HG3 LYS 14 HG3 LYS 14 -5.866 -22.305 -5.343 84 HD2 LYS 14 HD2 LYS 14 -8.228 -21.303 -5.423 85 HD3 LYS 14 HD3 LYS 14 -8.329 -22.012 -7.036 86 HE2 LYS 14 HE2 LYS 14 -8.031 -24.208 -6.179 87 HE3 LYS 14 HE3 LYS 14 -7.587 -23.596 -4.586 88 HZ1 LYS 14 HZ1 LYS 14 -10.139 -24.240 -5.556 89 HZ2 LYS 14 HZ2 LYS 14 -10.109 -22.583 -5.222 90 HZ3 LYS 14 HZ3 LYS 14 -9.708 -23.696 -4.013 91 H ASN 15 H ASN 15 -3.467 -19.022 -4.628 92 HA ASN 15 HA ASN 15 -3.135 -16.502 -6.081 93 HB2 ASN 15 HB2 ASN 15 -5.325 -16.545 -4.762 94 HB3 ASN 15 HB3 ASN 15 -4.328 -16.549 -3.311 95 HD21 ASN 15 HD21 ASN 15 -5.984 -14.534 -3.482 96 HD22 ASN 15 HD22 ASN 15 -5.188 -13.068 -3.932 97 H ASP 16 H ASP 16 -0.904 -16.948 -6.053 98 HA ASP 16 HA ASP 16 0.485 -17.390 -3.577 99 HB2 ASP 16 HB2 ASP 16 1.495 -18.374 -5.477 100 HB3 ASP 16 HB3 ASP 16 1.382 -16.883 -6.408 101 H LYS 17 H LYS 17 0.683 -15.816 -2.131 102 HA LYS 17 HA LYS 17 1.143 -13.070 -3.091 103 HB2 LYS 17 HB2 LYS 17 -0.181 -14.136 -0.609 104 HB3 LYS 17 HB3 LYS 17 0.410 -12.482 -0.690 105 HG2 LYS 17 HG2 LYS 17 -1.490 -13.593 -2.728 106 HG3 LYS 17 HG3 LYS 17 -2.044 -12.872 -1.215 107 HD2 LYS 17 HD2 LYS 17 -1.326 -10.760 -1.805 108 HD3 LYS 17 HD3 LYS 17 -0.120 -11.373 -2.939 109 HE2 LYS 17 HE2 LYS 17 -1.754 -10.508 -4.339 110 HE3 LYS 17 HE3 LYS 17 -2.155 -12.224 -4.283 111 HZ1 LYS 17 HZ1 LYS 17 -4.023 -10.519 -3.975 112 HZ2 LYS 17 HZ2 LYS 17 -3.413 -10.324 -2.410 113 HZ3 LYS 17 HZ3 LYS 17 -3.967 -11.839 -2.918 114 H CYS 18 H CYS 18 3.153 -15.201 -2.727 115 HA CYS 18 HA CYS 18 4.642 -14.565 -0.360 116 HB2 CYS 18 HB2 CYS 18 5.665 -15.994 -2.815 117 HB3 CYS 18 HB3 CYS 18 6.280 -16.108 -1.169 118 H CYS 19 H CYS 19 6.996 -13.906 -0.570 119 HA CYS 19 HA CYS 19 7.246 -11.736 -2.549 120 HB2 CYS 19 HB2 CYS 19 7.127 -11.468 0.209 121 HB3 CYS 19 HB3 CYS 19 8.851 -11.390 -0.139 122 H ALA 20 H ALA 20 9.781 -10.991 -2.328 123 HA ALA 20 HA ALA 20 11.866 -11.487 -3.103 124 HB1 ALA 20 HB1 ALA 20 11.578 -12.702 -0.708 125 HB2 ALA 20 HB2 ALA 20 12.001 -14.081 -1.723 126 HB3 ALA 20 HB3 ALA 20 13.078 -12.688 -1.635 127 H ASN 21 H ASN 21 9.545 -12.506 -4.611 128 HA ASN 21 HA ASN 21 9.138 -13.749 -6.471 129 HB2 ASN 21 HB2 ASN 21 12.032 -14.555 -6.556 130 HB3 ASN 21 HB3 ASN 21 10.930 -14.247 -7.895 131 HD21 ASN 21 HD21 ASN 21 13.390 -13.004 -6.018 132 HD22 ASN 21 HD22 ASN 21 13.269 -11.345 -6.487 133 H LEU 22 H LEU 22 9.019 -14.958 -3.816 134 HA LEU 22 HA LEU 22 10.022 -17.611 -3.910 135 HB2 LEU 22 HB2 LEU 22 7.952 -16.216 -2.252 136 HB3 LEU 22 HB3 LEU 22 8.211 -17.953 -2.106 137 HG LEU 22 HG LEU 22 10.538 -16.108 -1.806 138 HD11 LEU 22 HD11 LEU 22 9.061 -16.798 0.652 139 HD12 LEU 22 HD12 LEU 22 8.349 -15.542 -0.360 140 HD13 LEU 22 HD13 LEU 22 9.994 -15.356 0.250 141 HD21 LEU 22 HD21 LEU 22 10.517 -18.160 0.093 142 HD22 LEU 22 HD22 LEU 22 11.494 -18.065 -1.372 143 HD23 LEU 22 HD23 LEU 22 9.936 -18.892 -1.403 144 H VAL 23 H VAL 23 8.213 -19.423 -3.474 145 HA VAL 23 HA VAL 23 6.152 -19.199 -5.557 146 HB VAL 23 HB VAL 23 7.992 -20.412 -6.576 147 HG11 VAL 23 HG11 VAL 23 7.830 -22.084 -4.088 148 HG12 VAL 23 HG12 VAL 23 8.550 -22.703 -5.576 149 HG13 VAL 23 HG13 VAL 23 9.233 -21.278 -4.791 150 HG21 VAL 23 HG21 VAL 23 5.412 -21.188 -6.574 151 HG22 VAL 23 HG22 VAL 23 6.664 -21.958 -7.549 152 HG23 VAL 23 HG23 VAL 23 6.183 -22.670 -6.009 153 H CYS 24 H CYS 24 4.258 -20.301 -5.166 154 HA CYS 24 HA CYS 24 3.928 -21.269 -2.424 155 HB2 CYS 24 HB2 CYS 24 2.423 -19.485 -3.544 156 HB3 CYS 24 HB3 CYS 24 1.694 -20.844 -4.393 157 H SER 25 H SER 25 4.616 -23.361 -2.418 158 HA SER 25 HA SER 25 4.210 -25.241 -4.456 159 HB2 SER 25 HB2 SER 25 5.877 -25.747 -2.853 160 HB3 SER 25 HB3 SER 25 4.762 -25.527 -1.505 161 HG SER 25 HG SER 25 5.136 -27.739 -1.958 162 H SER 26 H SER 26 2.414 -26.173 -5.148 163 HA SER 26 HA SER 26 -0.085 -25.835 -3.850 164 HB2 SER 26 HB2 SER 26 -0.551 -27.831 -5.657 165 HB3 SER 26 HB3 SER 26 -0.552 -26.111 -6.049 166 HG SER 26 HG SER 26 0.914 -26.782 -7.432 167 H LYS 27 H LYS 27 2.431 -27.990 -3.312 168 HA LYS 27 HA LYS 27 0.720 -30.136 -2.322 169 HB2 LYS 27 HB2 LYS 27 2.949 -30.422 -3.638 170 HB3 LYS 27 HB3 LYS 27 3.712 -30.096 -2.087 171 HG2 LYS 27 HG2 LYS 27 3.619 -32.394 -2.112 172 HG3 LYS 27 HG3 LYS 27 2.158 -31.978 -1.213 173 HD2 LYS 27 HD2 LYS 27 1.143 -31.990 -3.686 174 HD3 LYS 27 HD3 LYS 27 2.464 -33.137 -3.924 175 HE2 LYS 27 HE2 LYS 27 0.693 -33.443 -1.546 176 HE3 LYS 27 HE3 LYS 27 0.089 -33.940 -3.126 177 HZ1 LYS 27 HZ1 LYS 27 2.315 -35.200 -3.266 178 HZ2 LYS 27 HZ2 LYS 27 1.069 -35.850 -2.324 179 HZ3 LYS 27 HZ3 LYS 27 2.349 -35.029 -1.583 180 H HIS 28 H HIS 28 3.552 -28.409 -1.004 181 HA HIS 28 HA HIS 28 2.807 -28.986 1.692 182 HB2 HIS 28 HB2 HIS 28 5.047 -27.718 0.310 183 HB3 HIS 28 HB3 HIS 28 4.645 -26.923 1.830 184 HD1 HIS 28 HD1 HIS 28 6.783 -29.433 0.612 185 HD2 HIS 28 HD2 HIS 28 4.341 -29.121 3.959 186 HE1 HIS 28 HE1 HIS 28 7.674 -31.117 2.253 187 H LYS 29 H LYS 29 1.951 -26.562 -0.548 188 HA LYS 29 HA LYS 29 0.684 -24.678 -0.415 189 HB2 LYS 29 HB2 LYS 29 -0.193 -25.671 2.295 190 HB3 LYS 29 HB3 LYS 29 -1.085 -24.640 1.185 191 HG2 LYS 29 HG2 LYS 29 -1.128 -26.575 -0.416 192 HG3 LYS 29 HG3 LYS 29 -0.478 -27.569 0.890 193 HD2 LYS 29 HD2 LYS 29 -2.431 -26.874 2.286 194 HD3 LYS 29 HD3 LYS 29 -3.100 -26.078 0.859 195 HE2 LYS 29 HE2 LYS 29 -4.149 -28.127 0.779 196 HE3 LYS 29 HE3 LYS 29 -2.751 -28.407 -0.258 197 HZ1 LYS 29 HZ1 LYS 29 -3.152 -29.292 2.537 198 HZ2 LYS 29 HZ2 LYS 29 -1.628 -29.289 1.805 199 HZ3 LYS 29 HZ3 LYS 29 -2.870 -30.245 1.169 200 H TRP 30 H TRP 30 3.092 -23.926 0.004 201 HA TRP 30 HA TRP 30 2.896 -21.828 1.957 202 HB2 TRP 30 HB2 TRP 30 4.895 -22.420 3.230 203 HB3 TRP 30 HB3 TRP 30 3.685 -23.692 3.364 204 HD1 TRP 30 HD1 TRP 30 4.940 -24.368 0.115 205 HE1 TRP 30 HE1 TRP 30 6.874 -26.067 0.125 206 HE3 TRP 30 HE3 TRP 30 6.173 -24.163 5.072 207 HZ2 TRP 30 HZ2 TRP 30 8.682 -27.174 1.989 208 HZ3 TRP 30 HZ3 TRP 30 8.017 -25.574 5.888 209 HH2 TRP 30 HH2 TRP 30 9.244 -27.048 4.377 210 H CYS 31 H CYS 31 4.961 -20.479 1.951 211 HA CYS 31 HA CYS 31 5.721 -20.070 -0.814 212 HB2 CYS 31 HB2 CYS 31 6.443 -18.517 1.681 213 HB3 CYS 31 HB3 CYS 31 6.812 -18.023 0.032 214 H LYS 32 H LYS 32 7.050 -21.844 -1.257 215 HA LYS 32 HA LYS 32 9.551 -22.029 0.270 216 HB2 LYS 32 HB2 LYS 32 9.844 -24.212 -0.824 217 HB3 LYS 32 HB3 LYS 32 8.319 -24.120 0.048 218 HG2 LYS 32 HG2 LYS 32 7.393 -24.911 -1.813 219 HG3 LYS 32 HG3 LYS 32 7.622 -23.289 -2.472 220 HD2 LYS 32 HD2 LYS 32 8.524 -24.858 -4.037 221 HD3 LYS 32 HD3 LYS 32 9.874 -24.016 -3.273 222 HE2 LYS 32 HE2 LYS 32 10.675 -26.111 -3.019 223 HE3 LYS 32 HE3 LYS 32 9.625 -26.110 -1.603 224 HZ1 LYS 32 HZ1 LYS 32 8.384 -26.907 -4.105 225 HZ2 LYS 32 HZ2 LYS 32 8.196 -27.546 -2.551 226 HZ3 LYS 32 HZ3 LYS 32 9.538 -27.978 -3.486 227 H GLY 33 H GLY 33 11.386 -22.935 -1.338 228 HA2 GLY 33 HA2 GLY 33 11.762 -20.762 -3.250 229 HA3 GLY 33 HA3 GLY 33 12.998 -21.875 -2.683 230 H LYS 34 H LYS 34 11.417 -20.975 -5.349 231 HA LYS 34 HA LYS 34 10.744 -23.512 -6.498 232 HB2 LYS 34 HB2 LYS 34 9.580 -21.587 -7.311 233 HB3 LYS 34 HB3 LYS 34 11.085 -20.753 -7.672 234 HG2 LYS 34 HG2 LYS 34 9.990 -21.576 -9.692 235 HG3 LYS 34 HG3 LYS 34 11.566 -22.333 -9.448 236 HD2 LYS 34 HD2 LYS 34 9.935 -23.991 -10.145 237 HD3 LYS 34 HD3 LYS 34 10.450 -24.304 -8.485 238 HE2 LYS 34 HE2 LYS 34 8.429 -23.612 -7.592 239 HE3 LYS 34 HE3 LYS 34 8.017 -22.647 -9.010 240 HZ1 LYS 34 HZ1 LYS 34 8.077 -25.046 -10.105 241 HZ2 LYS 34 HZ2 LYS 34 6.681 -24.409 -9.394 242 HZ3 LYS 34 HZ3 LYS 34 7.647 -25.497 -8.532 243 H LEU 35 H LEU 35 12.273 -24.968 -6.914 244 HA LEU 35 HA LEU 35 14.931 -24.094 -7.748 245 HB2 LEU 35 HB2 LEU 35 14.803 -25.745 -5.976 246 HB3 LEU 35 HB3 LEU 35 13.861 -26.815 -7.013 247 HG LEU 35 HG LEU 35 15.899 -26.884 -8.534 248 HD11 LEU 35 HD11 LEU 35 16.958 -25.331 -6.232 249 HD12 LEU 35 HD12 LEU 35 17.322 -25.198 -7.952 250 HD13 LEU 35 HD13 LEU 35 18.014 -26.513 -7.004 251 HD21 LEU 35 HD21 LEU 35 17.127 -28.332 -6.640 252 HD22 LEU 35 HD22 LEU 35 15.682 -28.877 -7.490 253 HD23 LEU 35 HD23 LEU 35 15.541 -28.150 -5.889 Start of MODEL 18 1 H1 GLY 1 H GLY 1 1.643 1.019 1.820 2 HA2 GLY 1 HA2 GLY 1 3.051 0.577 -0.283 3 HA3 GLY 1 HA3 GLY 1 3.573 -0.236 1.184 4 H ASN 2 H ASN 2 4.466 -2.012 0.186 5 HA ASN 2 HA ASN 2 2.969 -3.542 -1.742 6 HB2 ASN 2 HB2 ASN 2 5.571 -3.248 -1.493 7 HB3 ASN 2 HB3 ASN 2 5.414 -4.597 -0.373 8 HD21 ASN 2 HD21 ASN 2 6.337 -6.194 -1.505 9 HD22 ASN 2 HD22 ASN 2 5.791 -6.750 -3.047 10 H ASP 3 H ASP 3 2.531 -5.857 -1.446 11 HA ASP 3 HA ASP 3 2.092 -6.666 1.335 12 HB2 ASP 3 HB2 ASP 3 -0.003 -5.610 0.360 13 HB3 ASP 3 HB3 ASP 3 -0.062 -6.969 -0.759 14 H CYS 4 H CYS 4 3.261 -8.462 1.503 15 HA CYS 4 HA CYS 4 2.679 -10.711 -0.210 16 HB2 CYS 4 HB2 CYS 4 5.172 -11.067 -0.668 17 HB3 CYS 4 HB3 CYS 4 4.357 -9.824 -1.612 18 H LEU 5 H LEU 5 4.274 -12.592 0.464 19 HA LEU 5 HA LEU 5 4.418 -12.549 3.406 20 HB2 LEU 5 HB2 LEU 5 4.059 -14.950 1.621 21 HB3 LEU 5 HB3 LEU 5 4.007 -14.924 3.383 22 HG LEU 5 HG LEU 5 2.021 -13.396 1.726 23 HD11 LEU 5 HD11 LEU 5 1.747 -15.593 0.916 24 HD12 LEU 5 HD12 LEU 5 0.508 -15.377 2.152 25 HD13 LEU 5 HD13 LEU 5 1.968 -16.295 2.519 26 HD21 LEU 5 HD21 LEU 5 2.301 -12.911 4.159 27 HD22 LEU 5 HD22 LEU 5 1.819 -14.574 4.493 28 HD23 LEU 5 HD23 LEU 5 0.690 -13.468 3.709 29 H GLY 6 H GLY 6 6.065 -14.031 4.347 30 HA2 GLY 6 HA2 GLY 6 8.587 -13.650 2.940 31 HA3 GLY 6 HA3 GLY 6 8.391 -14.150 4.614 32 H PHE 7 H PHE 7 9.901 -15.826 4.352 33 HA PHE 7 HA PHE 7 9.366 -17.909 2.408 34 HB2 PHE 7 HB2 PHE 7 11.669 -16.978 3.594 35 HB3 PHE 7 HB3 PHE 7 11.377 -18.482 4.461 36 HD1 PHE 7 HD1 PHE 7 10.808 -20.543 2.935 37 HD2 PHE 7 HD2 PHE 7 12.851 -17.046 1.627 38 HE1 PHE 7 HE1 PHE 7 11.774 -21.812 1.060 39 HE2 PHE 7 HE2 PHE 7 13.819 -18.309 -0.250 40 HZ PHE 7 HZ PHE 7 13.280 -20.695 -0.536 41 H TRP 8 H TRP 8 8.929 -20.088 2.934 42 HA TRP 8 HA TRP 8 7.707 -21.708 3.968 43 HB2 TRP 8 HB2 TRP 8 8.860 -20.655 6.549 44 HB3 TRP 8 HB3 TRP 8 8.407 -22.311 6.156 45 HD1 TRP 8 HD1 TRP 8 11.378 -20.258 6.507 46 HE1 TRP 8 HE1 TRP 8 13.399 -21.304 5.305 47 HE3 TRP 8 HE3 TRP 8 8.921 -23.700 3.635 48 HZ2 TRP 8 HZ2 TRP 8 13.887 -23.321 3.392 49 HZ3 TRP 8 HZ3 TRP 8 10.238 -25.149 2.145 50 HH2 TRP 8 HH2 TRP 8 12.670 -24.962 2.027 51 H SER 9 H SER 9 6.451 -19.099 3.626 52 HA SER 9 HA SER 9 4.701 -18.918 5.967 53 HB2 SER 9 HB2 SER 9 5.840 -16.907 4.664 54 HB3 SER 9 HB3 SER 9 4.423 -17.079 3.629 55 HG SER 9 HG SER 9 4.478 -15.718 5.772 56 H ALA 10 H ALA 10 2.794 -19.890 5.969 57 HA ALA 10 HA ALA 10 1.787 -21.482 3.957 58 HB1 ALA 10 HB1 ALA 10 0.467 -22.031 5.652 59 HB2 ALA 10 HB2 ALA 10 0.900 -20.556 6.517 60 HB3 ALA 10 HB3 ALA 10 -0.449 -20.549 5.380 61 H CYS 11 H CYS 11 0.488 -21.213 2.217 62 HA CYS 11 HA CYS 11 -0.908 -18.709 1.778 63 HB2 CYS 11 HB2 CYS 11 0.142 -18.439 -0.497 64 HB3 CYS 11 HB3 CYS 11 1.211 -18.092 0.858 65 H ASN 12 H ASN 12 -1.735 -18.894 -0.730 66 HA ASN 12 HA ASN 12 -3.078 -21.510 -0.832 67 HB2 ASN 12 HB2 ASN 12 -4.223 -19.036 -0.719 68 HB3 ASN 12 HB3 ASN 12 -4.183 -19.313 -2.458 69 HD21 ASN 12 HD21 ASN 12 -5.951 -20.188 -3.222 70 HD22 ASN 12 HD22 ASN 12 -6.995 -21.285 -2.390 71 HA PRO 13 HA PRO 13 -0.974 -22.415 -4.598 72 HB2 PRO 13 HB2 PRO 13 -2.666 -24.306 -5.563 73 HB3 PRO 13 HB3 PRO 13 -1.560 -24.604 -4.216 74 HG2 PRO 13 HG2 PRO 13 -4.481 -23.949 -4.159 75 HG3 PRO 13 HG3 PRO 13 -3.583 -25.145 -3.206 76 HD2 PRO 13 HD2 PRO 13 -4.293 -22.728 -2.214 77 HD3 PRO 13 HD3 PRO 13 -2.808 -23.564 -1.719 78 H LYS 14 H LYS 14 -4.234 -21.258 -4.484 79 HA LYS 14 HA LYS 14 -4.326 -20.839 -7.375 80 HB2 LYS 14 HB2 LYS 14 -6.455 -20.099 -5.372 81 HB3 LYS 14 HB3 LYS 14 -6.635 -20.327 -7.106 82 HG2 LYS 14 HG2 LYS 14 -6.096 -22.730 -6.788 83 HG3 LYS 14 HG3 LYS 14 -6.095 -22.453 -5.045 84 HD2 LYS 14 HD2 LYS 14 -8.463 -21.442 -5.503 85 HD3 LYS 14 HD3 LYS 14 -8.374 -22.409 -6.977 86 HE2 LYS 14 HE2 LYS 14 -7.858 -23.559 -4.246 87 HE3 LYS 14 HE3 LYS 14 -9.469 -23.496 -4.960 88 HZ1 LYS 14 HZ1 LYS 14 -7.535 -25.434 -5.350 89 HZ2 LYS 14 HZ2 LYS 14 -7.624 -24.581 -6.808 90 HZ3 LYS 14 HZ3 LYS 14 -9.016 -25.288 -6.156 91 H ASN 15 H ASN 15 -3.584 -19.176 -4.484 92 HA ASN 15 HA ASN 15 -3.283 -16.689 -5.997 93 HB2 ASN 15 HB2 ASN 15 -5.460 -16.706 -4.656 94 HB3 ASN 15 HB3 ASN 15 -4.448 -16.670 -3.215 95 HD21 ASN 15 HD21 ASN 15 -5.344 -14.663 -2.653 96 HD22 ASN 15 HD22 ASN 15 -4.856 -13.207 -3.445 97 H ASP 16 H ASP 16 -1.051 -17.123 -5.981 98 HA ASP 16 HA ASP 16 0.362 -17.500 -3.505 99 HB2 ASP 16 HB2 ASP 16 1.366 -18.537 -5.372 100 HB3 ASP 16 HB3 ASP 16 1.222 -17.086 -6.361 101 H LYS 17 H LYS 17 0.571 -15.885 -2.106 102 HA LYS 17 HA LYS 17 1.023 -13.167 -3.148 103 HB2 LYS 17 HB2 LYS 17 -0.237 -14.135 -0.585 104 HB3 LYS 17 HB3 LYS 17 0.277 -12.468 -0.810 105 HG2 LYS 17 HG2 LYS 17 -1.623 -13.818 -2.700 106 HG3 LYS 17 HG3 LYS 17 -2.168 -13.000 -1.233 107 HD2 LYS 17 HD2 LYS 17 -0.794 -10.998 -2.113 108 HD3 LYS 17 HD3 LYS 17 -0.845 -11.842 -3.663 109 HE2 LYS 17 HE2 LYS 17 -3.128 -11.594 -3.872 110 HE3 LYS 17 HE3 LYS 17 -3.376 -11.430 -2.135 111 HZ1 LYS 17 HZ1 LYS 17 -2.617 -9.228 -2.172 112 HZ2 LYS 17 HZ2 LYS 17 -3.634 -9.351 -3.518 113 HZ3 LYS 17 HZ3 LYS 17 -1.955 -9.376 -3.722 114 H CYS 18 H CYS 18 3.047 -15.261 -2.763 115 HA CYS 18 HA CYS 18 4.549 -14.564 -0.415 116 HB2 CYS 18 HB2 CYS 18 5.550 -16.067 -2.836 117 HB3 CYS 18 HB3 CYS 18 6.184 -16.128 -1.194 118 H CYS 19 H CYS 19 6.895 -13.902 -0.655 119 HA CYS 19 HA CYS 19 7.129 -11.795 -2.703 120 HB2 CYS 19 HB2 CYS 19 7.032 -11.449 0.050 121 HB3 CYS 19 HB3 CYS 19 8.752 -11.369 -0.319 122 H ALA 20 H ALA 20 9.665 -11.039 -2.519 123 HA ALA 20 HA ALA 20 11.747 -11.554 -3.290 124 HB1 ALA 20 HB1 ALA 20 11.615 -12.546 -0.869 125 HB2 ALA 20 HB2 ALA 20 11.718 -14.088 -1.720 126 HB3 ALA 20 HB3 ALA 20 12.999 -12.890 -1.906 127 H ASN 21 H ASN 21 9.417 -12.619 -4.754 128 HA ASN 21 HA ASN 21 9.002 -13.913 -6.578 129 HB2 ASN 21 HB2 ASN 21 11.885 -14.741 -6.673 130 HB3 ASN 21 HB3 ASN 21 10.778 -14.420 -8.005 131 HD21 ASN 21 HD21 ASN 21 13.265 -13.207 -6.132 132 HD22 ASN 21 HD22 ASN 21 13.173 -11.551 -6.615 133 H LEU 22 H LEU 22 8.905 -15.047 -3.887 134 HA LEU 22 HA LEU 22 9.908 -17.702 -3.917 135 HB2 LEU 22 HB2 LEU 22 7.853 -16.262 -2.279 136 HB3 LEU 22 HB3 LEU 22 8.112 -17.995 -2.089 137 HG LEU 22 HG LEU 22 10.444 -16.145 -1.860 138 HD11 LEU 22 HD11 LEU 22 8.217 -15.622 -0.381 139 HD12 LEU 22 HD12 LEU 22 9.870 -15.262 0.115 140 HD13 LEU 22 HD13 LEU 22 9.088 -16.745 0.663 141 HD21 LEU 22 HD21 LEU 22 10.429 -18.145 0.098 142 HD22 LEU 22 HD22 LEU 22 11.402 -18.088 -1.372 143 HD23 LEU 22 HD23 LEU 22 9.844 -18.915 -1.377 144 H VAL 23 H VAL 23 8.111 -19.505 -3.422 145 HA VAL 23 HA VAL 23 6.029 -19.337 -5.491 146 HB VAL 23 HB VAL 23 7.861 -20.578 -6.491 147 HG11 VAL 23 HG11 VAL 23 9.118 -21.393 -4.694 148 HG12 VAL 23 HG12 VAL 23 7.722 -22.181 -3.957 149 HG13 VAL 23 HG13 VAL 23 8.430 -22.839 -5.432 150 HG21 VAL 23 HG21 VAL 23 5.295 -21.337 -6.488 151 HG22 VAL 23 HG22 VAL 23 6.546 -22.192 -7.391 152 HG23 VAL 23 HG23 VAL 23 6.024 -22.797 -5.819 153 H CYS 24 H CYS 24 4.138 -20.424 -5.052 154 HA CYS 24 HA CYS 24 3.831 -21.318 -2.283 155 HB2 CYS 24 HB2 CYS 24 2.319 -19.563 -3.436 156 HB3 CYS 24 HB3 CYS 24 1.581 -20.943 -4.244 157 H SER 25 H SER 25 4.523 -23.410 -2.232 158 HA SER 25 HA SER 25 4.096 -25.343 -4.213 159 HB2 SER 25 HB2 SER 25 5.776 -25.802 -2.605 160 HB3 SER 25 HB3 SER 25 4.665 -25.556 -1.258 161 HG SER 25 HG SER 25 4.523 -27.661 -3.160 162 H SER 26 H SER 26 2.295 -26.291 -4.867 163 HA SER 26 HA SER 26 -0.195 -25.915 -3.560 164 HB2 SER 26 HB2 SER 26 -0.665 -27.966 -5.312 165 HB3 SER 26 HB3 SER 26 -0.688 -26.256 -5.742 166 HG SER 26 HG SER 26 0.990 -26.601 -6.941 167 H LYS 27 H LYS 27 2.324 -28.060 -2.985 168 HA LYS 27 HA LYS 27 0.617 -30.175 -1.924 169 HB2 LYS 27 HB2 LYS 27 3.530 -29.901 -2.516 170 HB3 LYS 27 HB3 LYS 27 3.031 -31.071 -1.302 171 HG2 LYS 27 HG2 LYS 27 2.955 -32.424 -3.107 172 HG3 LYS 27 HG3 LYS 27 1.330 -31.747 -3.238 173 HD2 LYS 27 HD2 LYS 27 2.261 -31.590 -5.400 174 HD3 LYS 27 HD3 LYS 27 2.353 -29.961 -4.726 175 HE2 LYS 27 HE2 LYS 27 4.460 -30.202 -5.619 176 HE3 LYS 27 HE3 LYS 27 4.727 -30.725 -3.957 177 HZ1 LYS 27 HZ1 LYS 27 4.250 -32.523 -6.272 178 HZ2 LYS 27 HZ2 LYS 27 4.525 -33.018 -4.679 179 HZ3 LYS 27 HZ3 LYS 27 5.750 -32.235 -5.544 180 H HIS 28 H HIS 28 3.464 -28.419 -0.676 181 HA HIS 28 HA HIS 28 2.741 -28.923 2.041 182 HB2 HIS 28 HB2 HIS 28 4.969 -27.692 0.606 183 HB3 HIS 28 HB3 HIS 28 4.581 -26.859 2.108 184 HD1 HIS 28 HD1 HIS 28 6.960 -29.067 1.141 185 HD2 HIS 28 HD2 HIS 28 4.043 -29.337 4.088 186 HE1 HIS 28 HE1 HIS 28 7.801 -30.794 2.764 187 H LYS 29 H LYS 29 1.867 -26.558 -0.255 188 HA LYS 29 HA LYS 29 0.602 -24.670 -0.161 189 HB2 LYS 29 HB2 LYS 29 -0.246 -25.626 2.573 190 HB3 LYS 29 HB3 LYS 29 -1.140 -24.574 1.483 191 HG2 LYS 29 HG2 LYS 29 -1.136 -26.559 -0.133 192 HG3 LYS 29 HG3 LYS 29 -0.656 -27.522 1.267 193 HD2 LYS 29 HD2 LYS 29 -2.661 -26.647 2.466 194 HD3 LYS 29 HD3 LYS 29 -3.160 -25.867 0.963 195 HE2 LYS 29 HE2 LYS 29 -2.748 -28.827 1.383 196 HE3 LYS 29 HE3 LYS 29 -4.302 -28.002 1.271 197 HZ1 LYS 29 HZ1 LYS 29 -2.314 -28.490 -0.851 198 HZ2 LYS 29 HZ2 LYS 29 -3.432 -27.230 -1.000 199 HZ3 LYS 29 HZ3 LYS 29 -3.972 -28.826 -0.850 200 H TRP 30 H TRP 30 3.015 -23.910 0.218 201 HA TRP 30 HA TRP 30 2.837 -21.760 2.116 202 HB2 TRP 30 HB2 TRP 30 4.845 -22.321 3.389 203 HB3 TRP 30 HB3 TRP 30 3.635 -23.588 3.565 204 HD1 TRP 30 HD1 TRP 30 4.864 -24.351 0.325 205 HE1 TRP 30 HE1 TRP 30 6.797 -26.050 0.365 206 HE3 TRP 30 HE3 TRP 30 6.138 -24.015 5.265 207 HZ2 TRP 30 HZ2 TRP 30 8.620 -27.108 2.243 208 HZ3 TRP 30 HZ3 TRP 30 7.987 -25.405 6.103 209 HH2 TRP 30 HH2 TRP 30 9.201 -26.919 4.622 210 H CYS 31 H CYS 31 4.903 -20.414 2.057 211 HA CYS 31 HA CYS 31 5.641 -20.080 -0.723 212 HB2 CYS 31 HB2 CYS 31 6.383 -18.461 1.724 213 HB3 CYS 31 HB3 CYS 31 6.739 -18.011 0.059 214 H LYS 32 H LYS 32 6.968 -21.863 -1.131 215 HA LYS 32 HA LYS 32 9.479 -22.010 0.383 216 HB2 LYS 32 HB2 LYS 32 9.764 -24.221 -0.657 217 HB3 LYS 32 HB3 LYS 32 8.245 -24.106 0.223 218 HG2 LYS 32 HG2 LYS 32 7.300 -24.937 -1.609 219 HG3 LYS 32 HG3 LYS 32 7.538 -23.337 -2.318 220 HD2 LYS 32 HD2 LYS 32 8.417 -24.975 -3.834 221 HD3 LYS 32 HD3 LYS 32 9.772 -24.098 -3.119 222 HE2 LYS 32 HE2 LYS 32 10.393 -25.898 -1.787 223 HE3 LYS 32 HE3 LYS 32 8.806 -26.656 -1.900 224 HZ1 LYS 32 HZ1 LYS 32 9.993 -26.411 -4.465 225 HZ2 LYS 32 HZ2 LYS 32 9.455 -27.801 -3.666 226 HZ3 LYS 32 HZ3 LYS 32 11.030 -27.238 -3.415 227 H GLY 33 H GLY 33 11.306 -22.952 -1.209 228 HA2 GLY 33 HA2 GLY 33 11.664 -20.833 -3.184 229 HA3 GLY 33 HA3 GLY 33 12.907 -21.923 -2.590 230 H LYS 34 H LYS 34 11.275 -21.112 -5.267 231 HA LYS 34 HA LYS 34 10.628 -23.686 -6.338 232 HB2 LYS 34 HB2 LYS 34 9.434 -21.795 -7.189 233 HB3 LYS 34 HB3 LYS 34 10.926 -20.959 -7.596 234 HG2 LYS 34 HG2 LYS 34 9.818 -21.850 -9.576 235 HG3 LYS 34 HG3 LYS 34 11.398 -22.596 -9.327 236 HD2 LYS 34 HD2 LYS 34 9.773 -24.283 -9.952 237 HD3 LYS 34 HD3 LYS 34 10.290 -24.535 -8.283 238 HE2 LYS 34 HE2 LYS 34 8.269 -23.797 -7.413 239 HE3 LYS 34 HE3 LYS 34 7.848 -22.911 -8.878 240 HZ1 LYS 34 HZ1 LYS 34 6.550 -24.682 -9.252 241 HZ2 LYS 34 HZ2 LYS 34 7.423 -25.696 -8.218 242 HZ3 LYS 34 HZ3 LYS 34 7.973 -25.420 -9.794 243 H LEU 35 H LEU 35 12.154 -25.139 -6.763 244 HA LEU 35 HA LEU 35 14.867 -24.703 -7.043 245 HB2 LEU 35 HB2 LEU 35 13.295 -26.890 -6.948 246 HB3 LEU 35 HB3 LEU 35 13.747 -26.907 -8.652 247 HG LEU 35 HG LEU 35 15.203 -28.336 -7.301 248 HD11 LEU 35 HD11 LEU 35 17.224 -27.667 -8.264 249 HD12 LEU 35 HD12 LEU 35 16.809 -25.956 -8.169 250 HD13 LEU 35 HD13 LEU 35 15.989 -26.998 -9.332 251 HD21 LEU 35 HD21 LEU 35 14.955 -26.678 -5.289 252 HD22 LEU 35 HD22 LEU 35 16.393 -25.936 -5.991 253 HD23 LEU 35 HD23 LEU 35 16.427 -27.627 -5.491 Start of MODEL 19 1 H1 GLY 1 H GLY 1 5.479 -0.029 2.250 2 HA2 GLY 1 HA2 GLY 1 3.400 -0.047 1.145 3 HA3 GLY 1 HA3 GLY 1 4.463 0.649 -0.069 4 H ASN 2 H ASN 2 4.264 -2.699 1.083 5 HA ASN 2 HA ASN 2 3.178 -3.516 -1.507 6 HB2 ASN 2 HB2 ASN 2 4.936 -5.462 -1.354 7 HB3 ASN 2 HB3 ASN 2 5.392 -3.911 -2.053 8 HD21 ASN 2 HD21 ASN 2 7.036 -2.822 -1.188 9 HD22 ASN 2 HD22 ASN 2 7.858 -3.255 0.269 10 H ASP 3 H ASP 3 2.487 -5.813 -1.505 11 HA ASP 3 HA ASP 3 1.809 -6.772 1.194 12 HB2 ASP 3 HB2 ASP 3 -0.066 -6.907 -1.171 13 HB3 ASP 3 HB3 ASP 3 -0.422 -7.323 0.503 14 H CYS 4 H CYS 4 3.049 -8.538 1.381 15 HA CYS 4 HA CYS 4 2.523 -10.791 -0.326 16 HB2 CYS 4 HB2 CYS 4 5.019 -11.127 -0.785 17 HB3 CYS 4 HB3 CYS 4 4.189 -9.902 -1.740 18 H LEU 5 H LEU 5 4.131 -12.652 0.363 19 HA LEU 5 HA LEU 5 4.278 -12.580 3.305 20 HB2 LEU 5 HB2 LEU 5 3.944 -14.993 1.532 21 HB3 LEU 5 HB3 LEU 5 3.910 -14.967 3.294 22 HG LEU 5 HG LEU 5 1.887 -13.460 1.666 23 HD11 LEU 5 HD11 LEU 5 1.856 -16.363 2.454 24 HD12 LEU 5 HD12 LEU 5 1.666 -15.671 0.844 25 HD13 LEU 5 HD13 LEU 5 0.400 -15.451 2.052 26 HD21 LEU 5 HD21 LEU 5 2.142 -12.959 4.075 27 HD22 LEU 5 HD22 LEU 5 1.782 -14.647 4.437 28 HD23 LEU 5 HD23 LEU 5 0.561 -13.629 3.673 29 H GLY 6 H GLY 6 5.944 -14.030 4.260 30 HA2 GLY 6 HA2 GLY 6 8.461 -13.630 2.850 31 HA3 GLY 6 HA3 GLY 6 8.272 -14.112 4.529 32 H PHE 7 H PHE 7 9.802 -15.772 4.292 33 HA PHE 7 HA PHE 7 9.302 -17.883 2.370 34 HB2 PHE 7 HB2 PHE 7 11.586 -16.911 3.562 35 HB3 PHE 7 HB3 PHE 7 11.306 -18.411 4.441 36 HD1 PHE 7 HD1 PHE 7 10.767 -20.491 2.924 37 HD2 PHE 7 HD2 PHE 7 12.789 -16.984 1.608 38 HE1 PHE 7 HE1 PHE 7 11.760 -21.764 1.068 39 HE2 PHE 7 HE2 PHE 7 13.785 -18.252 -0.251 40 HZ PHE 7 HZ PHE 7 13.270 -20.645 -0.523 41 H TRP 8 H TRP 8 8.883 -20.059 2.914 42 HA TRP 8 HA TRP 8 7.664 -21.677 3.956 43 HB2 TRP 8 HB2 TRP 8 8.816 -20.609 6.530 44 HB3 TRP 8 HB3 TRP 8 8.374 -22.270 6.142 45 HD1 TRP 8 HD1 TRP 8 11.331 -20.192 6.479 46 HE1 TRP 8 HE1 TRP 8 13.357 -21.229 5.277 47 HE3 TRP 8 HE3 TRP 8 8.893 -23.667 3.629 48 HZ2 TRP 8 HZ2 TRP 8 13.855 -23.252 3.373 49 HZ3 TRP 8 HZ3 TRP 8 10.218 -25.113 2.143 50 HH2 TRP 8 HH2 TRP 8 12.647 -24.908 2.019 51 H SER 9 H SER 9 6.323 -19.177 3.542 52 HA SER 9 HA SER 9 4.599 -18.960 5.908 53 HB2 SER 9 HB2 SER 9 5.715 -16.938 4.626 54 HB3 SER 9 HB3 SER 9 4.333 -17.138 3.550 55 HG SER 9 HG SER 9 3.005 -16.509 5.104 56 H ALA 10 H ALA 10 2.689 -19.928 5.913 57 HA ALA 10 HA ALA 10 1.701 -21.553 3.917 58 HB1 ALA 10 HB1 ALA 10 0.413 -22.085 5.645 59 HB2 ALA 10 HB2 ALA 10 0.769 -20.556 6.450 60 HB3 ALA 10 HB3 ALA 10 -0.558 -20.654 5.293 61 H CYS 11 H CYS 11 0.468 -21.300 2.138 62 HA CYS 11 HA CYS 11 -0.965 -18.819 1.667 63 HB2 CYS 11 HB2 CYS 11 0.113 -18.550 -0.592 64 HB3 CYS 11 HB3 CYS 11 1.165 -18.192 0.773 65 H ASN 12 H ASN 12 -1.754 -19.036 -0.852 66 HA ASN 12 HA ASN 12 -3.060 -21.671 -0.954 67 HB2 ASN 12 HB2 ASN 12 -4.246 -19.215 -0.857 68 HB3 ASN 12 HB3 ASN 12 -4.186 -19.496 -2.595 69 HD21 ASN 12 HD21 ASN 12 -5.953 -20.372 -3.359 70 HD22 ASN 12 HD22 ASN 12 -6.979 -21.494 -2.538 71 HA PRO 13 HA PRO 13 -0.907 -22.551 -4.697 72 HB2 PRO 13 HB2 PRO 13 -2.557 -24.474 -5.670 73 HB3 PRO 13 HB3 PRO 13 -1.458 -24.748 -4.313 74 HG2 PRO 13 HG2 PRO 13 -4.390 -24.144 -4.284 75 HG3 PRO 13 HG3 PRO 13 -3.480 -25.321 -3.319 76 HD2 PRO 13 HD2 PRO 13 -4.241 -22.914 -2.341 77 HD3 PRO 13 HD3 PRO 13 -2.745 -23.722 -1.830 78 H LYS 14 H LYS 14 -4.188 -21.452 -4.615 79 HA LYS 14 HA LYS 14 -4.267 -21.047 -7.508 80 HB2 LYS 14 HB2 LYS 14 -6.417 -20.318 -5.525 81 HB3 LYS 14 HB3 LYS 14 -6.584 -20.570 -7.258 82 HG2 LYS 14 HG2 LYS 14 -6.032 -22.959 -6.920 83 HG3 LYS 14 HG3 LYS 14 -6.009 -22.670 -5.178 84 HD2 LYS 14 HD2 LYS 14 -8.404 -21.638 -5.729 85 HD3 LYS 14 HD3 LYS 14 -8.298 -22.790 -7.062 86 HE2 LYS 14 HE2 LYS 14 -7.681 -23.639 -4.258 87 HE3 LYS 14 HE3 LYS 14 -9.351 -23.540 -4.815 88 HZ1 LYS 14 HZ1 LYS 14 -7.844 -24.907 -6.742 89 HZ2 LYS 14 HZ2 LYS 14 -9.111 -25.496 -5.789 90 HZ3 LYS 14 HZ3 LYS 14 -7.516 -25.602 -5.235 91 H ASN 15 H ASN 15 -3.594 -19.350 -4.612 92 HA ASN 15 HA ASN 15 -3.303 -16.872 -6.143 93 HB2 ASN 15 HB2 ASN 15 -5.494 -16.913 -4.822 94 HB3 ASN 15 HB3 ASN 15 -4.495 -16.849 -3.373 95 HD21 ASN 15 HD21 ASN 15 -6.054 -15.065 -5.728 96 HD22 ASN 15 HD22 ASN 15 -5.337 -13.526 -5.409 97 H ASP 16 H ASP 16 -1.064 -17.298 -6.099 98 HA ASP 16 HA ASP 16 0.331 -17.637 -3.613 99 HB2 ASP 16 HB2 ASP 16 1.360 -18.655 -5.483 100 HB3 ASP 16 HB3 ASP 16 1.218 -17.194 -6.457 101 H LYS 17 H LYS 17 0.500 -16.022 -2.210 102 HA LYS 17 HA LYS 17 0.902 -13.293 -3.243 103 HB2 LYS 17 HB2 LYS 17 -0.278 -14.264 -0.638 104 HB3 LYS 17 HB3 LYS 17 0.118 -12.580 -0.952 105 HG2 LYS 17 HG2 LYS 17 -1.414 -13.295 -3.131 106 HG3 LYS 17 HG3 LYS 17 -2.182 -14.138 -1.783 107 HD2 LYS 17 HD2 LYS 17 -2.104 -11.930 -0.541 108 HD3 LYS 17 HD3 LYS 17 -1.666 -11.187 -2.081 109 HE2 LYS 17 HE2 LYS 17 -4.042 -12.966 -2.032 110 HE3 LYS 17 HE3 LYS 17 -4.188 -11.387 -1.260 111 HZ1 LYS 17 HZ1 LYS 17 -4.429 -11.942 -3.943 112 HZ2 LYS 17 HZ2 LYS 17 -2.932 -11.169 -3.798 113 HZ3 LYS 17 HZ3 LYS 17 -4.333 -10.411 -3.230 114 H CYS 18 H CYS 18 2.954 -15.385 -2.830 115 HA CYS 18 HA CYS 18 4.452 -14.645 -0.500 116 HB2 CYS 18 HB2 CYS 18 5.474 -16.138 -2.917 117 HB3 CYS 18 HB3 CYS 18 6.112 -16.184 -1.277 118 H CYS 19 H CYS 19 6.798 -13.962 -0.761 119 HA CYS 19 HA CYS 19 6.997 -11.859 -2.816 120 HB2 CYS 19 HB2 CYS 19 6.875 -11.484 -0.071 121 HB3 CYS 19 HB3 CYS 19 8.597 -11.385 -0.424 122 H ALA 20 H ALA 20 9.519 -11.055 -2.621 123 HA ALA 20 HA ALA 20 11.614 -11.540 -3.376 124 HB1 ALA 20 HB1 ALA 20 12.841 -13.222 -2.135 125 HB2 ALA 20 HB2 ALA 20 11.818 -12.287 -1.043 126 HB3 ALA 20 HB3 ALA 20 11.332 -13.910 -1.533 127 H ASN 21 H ASN 21 9.310 -12.661 -4.843 128 HA ASN 21 HA ASN 21 8.930 -13.976 -6.659 129 HB2 ASN 21 HB2 ASN 21 11.827 -14.757 -6.729 130 HB3 ASN 21 HB3 ASN 21 10.724 -14.464 -8.071 131 HD21 ASN 21 HD21 ASN 21 13.214 -13.215 -6.263 132 HD22 ASN 21 HD22 ASN 21 13.085 -11.557 -6.732 133 H LEU 22 H LEU 22 8.834 -15.088 -3.960 134 HA LEU 22 HA LEU 22 9.881 -17.726 -3.960 135 HB2 LEU 22 HB2 LEU 22 7.789 -16.310 -2.348 136 HB3 LEU 22 HB3 LEU 22 8.084 -18.034 -2.139 137 HG LEU 22 HG LEU 22 10.372 -16.130 -1.915 138 HD11 LEU 22 HD11 LEU 22 8.143 -15.613 -0.464 139 HD12 LEU 22 HD12 LEU 22 9.787 -15.271 0.074 140 HD13 LEU 22 HD13 LEU 22 8.979 -16.750 0.594 141 HD21 LEU 22 HD21 LEU 22 10.399 -18.111 0.059 142 HD22 LEU 22 HD22 LEU 22 11.372 -18.048 -1.411 143 HD23 LEU 22 HD23 LEU 22 9.832 -18.909 -1.408 144 H VAL 23 H VAL 23 8.098 -19.547 -3.449 145 HA VAL 23 HA VAL 23 6.034 -19.434 -5.539 146 HB VAL 23 HB VAL 23 7.890 -20.662 -6.509 147 HG11 VAL 23 HG11 VAL 23 8.479 -22.904 -5.417 148 HG12 VAL 23 HG12 VAL 23 9.145 -21.438 -4.693 149 HG13 VAL 23 HG13 VAL 23 7.754 -22.233 -3.956 150 HG21 VAL 23 HG21 VAL 23 6.632 -22.356 -7.372 151 HG22 VAL 23 HG22 VAL 23 6.034 -22.868 -5.794 152 HG23 VAL 23 HG23 VAL 23 5.355 -21.439 -6.574 153 H CYS 24 H CYS 24 4.155 -20.545 -5.104 154 HA CYS 24 HA CYS 24 3.838 -21.411 -2.327 155 HB2 CYS 24 HB2 CYS 24 2.313 -19.687 -3.509 156 HB3 CYS 24 HB3 CYS 24 1.598 -21.084 -4.307 157 H SER 25 H SER 25 4.551 -23.494 -2.244 158 HA SER 25 HA SER 25 4.163 -25.453 -4.210 159 HB2 SER 25 HB2 SER 25 5.838 -25.874 -2.587 160 HB3 SER 25 HB3 SER 25 4.715 -25.628 -1.250 161 HG SER 25 HG SER 25 4.685 -27.769 -3.114 162 H SER 26 H SER 26 2.376 -26.429 -4.866 163 HA SER 26 HA SER 26 -0.125 -26.070 -3.577 164 HB2 SER 26 HB2 SER 26 -0.984 -26.858 -5.511 165 HB3 SER 26 HB3 SER 26 0.674 -26.797 -6.107 166 HG SER 26 HG SER 26 -0.497 -28.863 -6.328 167 H LYS 27 H LYS 27 2.415 -28.179 -2.967 168 HA LYS 27 HA LYS 27 0.728 -30.304 -1.894 169 HB2 LYS 27 HB2 LYS 27 3.655 -29.999 -2.433 170 HB3 LYS 27 HB3 LYS 27 3.122 -31.197 -1.261 171 HG2 LYS 27 HG2 LYS 27 3.097 -32.511 -3.094 172 HG3 LYS 27 HG3 LYS 27 1.480 -31.824 -3.268 173 HD2 LYS 27 HD2 LYS 27 2.235 -30.243 -4.875 174 HD3 LYS 27 HD3 LYS 27 3.928 -30.614 -4.541 175 HE2 LYS 27 HE2 LYS 27 3.881 -32.555 -5.747 176 HE3 LYS 27 HE3 LYS 27 2.167 -32.830 -5.444 177 HZ1 LYS 27 HZ1 LYS 27 1.555 -31.556 -7.197 178 HZ2 LYS 27 HZ2 LYS 27 3.064 -32.046 -7.781 179 HZ3 LYS 27 HZ3 LYS 27 2.886 -30.519 -7.077 180 H HIS 28 H HIS 28 3.547 -28.502 -0.649 181 HA HIS 28 HA HIS 28 2.817 -28.988 2.070 182 HB2 HIS 28 HB2 HIS 28 5.036 -27.741 0.634 183 HB3 HIS 28 HB3 HIS 28 4.630 -26.902 2.128 184 HD1 HIS 28 HD1 HIS 28 4.166 -28.956 4.143 185 HD2 HIS 28 HD2 HIS 28 7.002 -29.503 1.157 186 HE1 HIS 28 HE1 HIS 28 5.752 -30.693 5.032 187 H LYS 29 H LYS 29 1.924 -26.657 -0.254 188 HA LYS 29 HA LYS 29 0.637 -24.783 -0.185 189 HB2 LYS 29 HB2 LYS 29 -0.219 -25.716 2.555 190 HB3 LYS 29 HB3 LYS 29 -1.120 -24.698 1.439 191 HG2 LYS 29 HG2 LYS 29 -1.172 -26.656 -0.137 192 HG3 LYS 29 HG3 LYS 29 -0.520 -27.632 1.181 193 HD2 LYS 29 HD2 LYS 29 -2.921 -25.969 1.733 194 HD3 LYS 29 HD3 LYS 29 -3.128 -27.418 0.747 195 HE2 LYS 29 HE2 LYS 29 -3.456 -28.296 2.835 196 HE3 LYS 29 HE3 LYS 29 -1.716 -28.525 2.671 197 HZ1 LYS 29 HZ1 LYS 29 -2.022 -26.002 3.714 198 HZ2 LYS 29 HZ2 LYS 29 -1.514 -27.384 4.546 199 HZ3 LYS 29 HZ3 LYS 29 -3.148 -26.947 4.552 200 H TRP 30 H TRP 30 3.035 -23.987 0.201 201 HA TRP 30 HA TRP 30 2.819 -21.825 2.081 202 HB2 TRP 30 HB2 TRP 30 4.829 -22.349 3.367 203 HB3 TRP 30 HB3 TRP 30 3.634 -23.630 3.549 204 HD1 TRP 30 HD1 TRP 30 4.888 -24.404 0.322 205 HE1 TRP 30 HE1 TRP 30 6.842 -26.079 0.385 206 HE3 TRP 30 HE3 TRP 30 6.133 -24.011 5.265 207 HZ2 TRP 30 HZ2 TRP 30 8.669 -27.098 2.280 208 HZ3 TRP 30 HZ3 TRP 30 7.996 -25.371 6.123 209 HH2 TRP 30 HH2 TRP 30 9.236 -26.882 4.661 210 H CYS 31 H CYS 31 4.868 -20.453 2.022 211 HA CYS 31 HA CYS 31 5.616 -20.131 -0.757 212 HB2 CYS 31 HB2 CYS 31 6.337 -18.481 1.675 213 HB3 CYS 31 HB3 CYS 31 6.671 -18.039 0.003 214 H LYS 32 H LYS 32 6.968 -21.901 -1.143 215 HA LYS 32 HA LYS 32 9.473 -22.001 0.385 216 HB2 LYS 32 HB2 LYS 32 9.792 -24.216 -0.636 217 HB3 LYS 32 HB3 LYS 32 8.269 -24.114 0.237 218 HG2 LYS 32 HG2 LYS 32 7.352 -24.983 -1.594 219 HG3 LYS 32 HG3 LYS 32 7.551 -23.380 -2.305 220 HD2 LYS 32 HD2 LYS 32 8.469 -25.001 -3.818 221 HD3 LYS 32 HD3 LYS 32 9.801 -24.087 -3.107 222 HE2 LYS 32 HE2 LYS 32 10.461 -25.865 -1.758 223 HE3 LYS 32 HE3 LYS 32 8.899 -26.671 -1.890 224 HZ1 LYS 32 HZ1 LYS 32 10.206 -27.924 -3.277 225 HZ2 LYS 32 HZ2 LYS 32 11.122 -26.607 -3.813 226 HZ3 LYS 32 HZ3 LYS 32 9.543 -26.826 -4.380 227 H GLY 33 H GLY 33 11.314 -22.944 -1.200 228 HA2 GLY 33 HA2 GLY 33 11.650 -20.836 -3.194 229 HA3 GLY 33 HA3 GLY 33 12.911 -21.894 -2.577 230 H LYS 34 H LYS 34 11.337 -21.145 -5.287 231 HA LYS 34 HA LYS 34 10.641 -23.693 -6.345 232 HB2 LYS 34 HB2 LYS 34 9.951 -21.293 -7.119 233 HB3 LYS 34 HB3 LYS 34 11.428 -21.371 -8.071 234 HG2 LYS 34 HG2 LYS 34 10.637 -23.146 -9.369 235 HG3 LYS 34 HG3 LYS 34 9.354 -23.530 -8.219 236 HD2 LYS 34 HD2 LYS 34 8.396 -22.440 -10.146 237 HD3 LYS 34 HD3 LYS 34 8.285 -21.360 -8.754 238 HE2 LYS 34 HE2 LYS 34 9.932 -19.944 -9.561 239 HE3 LYS 34 HE3 LYS 34 10.626 -21.182 -10.606 240 HZ1 LYS 34 HZ1 LYS 34 8.183 -20.944 -11.646 241 HZ2 LYS 34 HZ2 LYS 34 9.521 -20.061 -12.187 242 HZ3 LYS 34 HZ3 LYS 34 8.427 -19.360 -11.103 243 H LEU 35 H LEU 35 12.059 -25.262 -6.711 244 HA LEU 35 HA LEU 35 14.815 -24.583 -7.423 245 HB2 LEU 35 HB2 LEU 35 14.017 -26.287 -5.589 246 HB3 LEU 35 HB3 LEU 35 13.881 -27.378 -6.967 247 HG LEU 35 HG LEU 35 16.429 -25.919 -6.312 248 HD11 LEU 35 HD11 LEU 35 15.194 -27.947 -4.769 249 HD12 LEU 35 HD12 LEU 35 16.804 -27.252 -4.584 250 HD13 LEU 35 HD13 LEU 35 16.568 -28.668 -5.609 251 HD21 LEU 35 HD21 LEU 35 15.587 -28.074 -8.184 252 HD22 LEU 35 HD22 LEU 35 17.220 -28.121 -7.519 253 HD23 LEU 35 HD23 LEU 35 16.683 -26.716 -8.441 Start of MODEL 20 1 H1 GLY 1 H GLY 1 4.045 0.904 0.272 2 HA2 GLY 1 HA2 GLY 1 2.116 -0.176 0.906 3 HA3 GLY 1 HA3 GLY 1 1.447 0.538 -0.553 4 H ASN 2 H ASN 2 3.701 -2.119 0.222 5 HA ASN 2 HA ASN 2 2.252 -3.774 -1.733 6 HB2 ASN 2 HB2 ASN 2 4.827 -3.229 -1.890 7 HB3 ASN 2 HB3 ASN 2 4.959 -4.518 -0.697 8 HD21 ASN 2 HD21 ASN 2 6.127 -4.746 -3.159 9 HD22 ASN 2 HD22 ASN 2 5.312 -5.960 -4.079 10 H ASP 3 H ASP 3 1.908 -6.013 -1.232 11 HA ASP 3 HA ASP 3 2.068 -6.708 1.613 12 HB2 ASP 3 HB2 ASP 3 -0.234 -5.805 0.942 13 HB3 ASP 3 HB3 ASP 3 -0.410 -7.281 -0.004 14 H CYS 4 H CYS 4 3.418 -8.391 1.578 15 HA CYS 4 HA CYS 4 2.702 -10.692 -0.080 16 HB2 CYS 4 HB2 CYS 4 5.199 -11.027 -0.517 17 HB3 CYS 4 HB3 CYS 4 4.395 -9.756 -1.433 18 H LEU 5 H LEU 5 4.298 -12.583 0.565 19 HA LEU 5 HA LEU 5 4.402 -12.617 3.509 20 HB2 LEU 5 HB2 LEU 5 4.059 -14.961 1.646 21 HB3 LEU 5 HB3 LEU 5 4.015 -15.003 3.408 22 HG LEU 5 HG LEU 5 2.016 -13.418 1.823 23 HD11 LEU 5 HD11 LEU 5 1.564 -15.474 0.906 24 HD12 LEU 5 HD12 LEU 5 0.559 -15.520 2.353 25 HD13 LEU 5 HD13 LEU 5 2.112 -16.354 2.333 26 HD21 LEU 5 HD21 LEU 5 2.242 -12.975 4.233 27 HD22 LEU 5 HD22 LEU 5 1.916 -14.677 4.562 28 HD23 LEU 5 HD23 LEU 5 0.672 -13.667 3.823 29 H GLY 6 H GLY 6 6.057 -14.054 4.454 30 HA2 GLY 6 HA2 GLY 6 8.587 -13.656 3.076 31 HA3 GLY 6 HA3 GLY 6 8.375 -14.184 4.739 32 H PHE 7 H PHE 7 9.887 -15.854 4.480 33 HA PHE 7 HA PHE 7 9.395 -17.903 2.489 34 HB2 PHE 7 HB2 PHE 7 11.673 -16.985 3.734 35 HB3 PHE 7 HB3 PHE 7 11.372 -18.507 4.566 36 HD1 PHE 7 HD1 PHE 7 10.835 -20.538 2.986 37 HD2 PHE 7 HD2 PHE 7 12.895 -17.011 1.790 38 HE1 PHE 7 HE1 PHE 7 11.838 -21.766 1.104 39 HE2 PHE 7 HE2 PHE 7 13.901 -18.233 -0.094 40 HZ PHE 7 HZ PHE 7 13.372 -20.613 -0.439 41 H TRP 8 H TRP 8 8.955 -20.091 2.969 42 HA TRP 8 HA TRP 8 7.711 -21.729 3.951 43 HB2 TRP 8 HB2 TRP 8 8.841 -20.741 6.567 44 HB3 TRP 8 HB3 TRP 8 8.392 -22.387 6.127 45 HD1 TRP 8 HD1 TRP 8 11.359 -20.341 6.556 46 HE1 TRP 8 HE1 TRP 8 13.392 -21.359 5.350 47 HE3 TRP 8 HE3 TRP 8 8.931 -23.717 3.583 48 HZ2 TRP 8 HZ2 TRP 8 13.899 -23.332 3.396 49 HZ3 TRP 8 HZ3 TRP 8 10.263 -25.132 2.073 50 HH2 TRP 8 HH2 TRP 8 12.695 -24.941 1.983 51 H SER 9 H SER 9 6.395 -19.206 3.592 52 HA SER 9 HA SER 9 4.647 -19.040 5.944 53 HB2 SER 9 HB2 SER 9 5.788 -16.992 4.734 54 HB3 SER 9 HB3 SER 9 4.425 -17.157 3.627 55 HG SER 9 HG SER 9 3.085 -17.090 5.579 56 H ALA 10 H ALA 10 2.739 -20.010 5.905 57 HA ALA 10 HA ALA 10 1.760 -21.568 3.854 58 HB1 ALA 10 HB1 ALA 10 -0.017 -21.988 5.200 59 HB2 ALA 10 HB2 ALA 10 1.027 -21.211 6.391 60 HB3 ALA 10 HB3 ALA 10 -0.254 -20.287 5.606 61 H CYS 11 H CYS 11 0.533 -21.262 2.078 62 HA CYS 11 HA CYS 11 -0.881 -18.760 1.665 63 HB2 CYS 11 HB2 CYS 11 0.214 -18.439 -0.581 64 HB3 CYS 11 HB3 CYS 11 1.254 -18.116 0.802 65 H ASN 12 H ASN 12 -1.660 -18.899 -0.859 66 HA ASN 12 HA ASN 12 -2.982 -21.521 -1.043 67 HB2 ASN 12 HB2 ASN 12 -4.147 -19.059 -0.896 68 HB3 ASN 12 HB3 ASN 12 -4.073 -19.297 -2.640 69 HD21 ASN 12 HD21 ASN 12 -5.816 -20.174 -3.459 70 HD22 ASN 12 HD22 ASN 12 -6.868 -21.293 -2.669 71 HA PRO 13 HA PRO 13 -0.803 -22.328 -4.788 72 HB2 PRO 13 HB2 PRO 13 -2.464 -24.207 -5.826 73 HB3 PRO 13 HB3 PRO 13 -1.381 -24.528 -4.466 74 HG2 PRO 13 HG2 PRO 13 -4.307 -23.893 -4.449 75 HG3 PRO 13 HG3 PRO 13 -3.419 -25.105 -3.507 76 HD2 PRO 13 HD2 PRO 13 -4.164 -22.715 -2.474 77 HD3 PRO 13 HD3 PRO 13 -2.682 -23.553 -1.970 78 H LYS 14 H LYS 14 -4.066 -21.185 -4.706 79 HA LYS 14 HA LYS 14 -4.108 -20.702 -7.589 80 HB2 LYS 14 HB2 LYS 14 -6.283 -20.028 -5.613 81 HB3 LYS 14 HB3 LYS 14 -6.426 -20.217 -7.356 82 HG2 LYS 14 HG2 LYS 14 -5.961 -22.606 -7.136 83 HG3 LYS 14 HG3 LYS 14 -5.823 -22.415 -5.387 84 HD2 LYS 14 HD2 LYS 14 -8.212 -21.376 -5.607 85 HD3 LYS 14 HD3 LYS 14 -8.245 -22.266 -7.131 86 HE2 LYS 14 HE2 LYS 14 -7.468 -23.602 -4.560 87 HE3 LYS 14 HE3 LYS 14 -9.161 -23.414 -5.016 88 HZ1 LYS 14 HZ1 LYS 14 -8.091 -25.562 -5.679 89 HZ2 LYS 14 HZ2 LYS 14 -7.151 -24.688 -6.781 90 HZ3 LYS 14 HZ3 LYS 14 -8.835 -24.715 -6.941 91 H ASN 15 H ASN 15 -3.438 -19.104 -4.644 92 HA ASN 15 HA ASN 15 -3.134 -16.577 -6.089 93 HB2 ASN 15 HB2 ASN 15 -5.331 -16.651 -4.782 94 HB3 ASN 15 HB3 ASN 15 -4.341 -16.640 -3.326 95 HD21 ASN 15 HD21 ASN 15 -5.862 -14.773 -5.650 96 HD22 ASN 15 HD22 ASN 15 -5.145 -13.248 -5.267 97 H ASP 16 H ASP 16 -0.897 -17.017 -6.048 98 HA ASP 16 HA ASP 16 0.478 -17.431 -3.559 99 HB2 ASP 16 HB2 ASP 16 1.515 -18.425 -5.433 100 HB3 ASP 16 HB3 ASP 16 1.383 -16.952 -6.391 101 H LYS 17 H LYS 17 0.655 -15.844 -2.125 102 HA LYS 17 HA LYS 17 1.107 -13.103 -3.104 103 HB2 LYS 17 HB2 LYS 17 -0.296 -14.183 -0.683 104 HB3 LYS 17 HB3 LYS 17 0.379 -12.559 -0.653 105 HG2 LYS 17 HG2 LYS 17 -1.392 -13.340 -2.915 106 HG3 LYS 17 HG3 LYS 17 -2.109 -12.970 -1.345 107 HD2 LYS 17 HD2 LYS 17 -0.916 -10.796 -1.367 108 HD3 LYS 17 HD3 LYS 17 -0.332 -11.169 -2.990 109 HE2 LYS 17 HE2 LYS 17 -2.251 -9.751 -3.189 110 HE3 LYS 17 HE3 LYS 17 -2.702 -11.368 -3.726 111 HZ1 LYS 17 HZ1 LYS 17 -4.223 -11.527 -2.130 112 HZ2 LYS 17 HZ2 LYS 17 -4.025 -9.866 -1.880 113 HZ3 LYS 17 HZ3 LYS 17 -3.167 -10.972 -0.930 114 H CYS 18 H CYS 18 3.128 -15.214 -2.710 115 HA CYS 18 HA CYS 18 4.592 -14.553 -0.333 116 HB2 CYS 18 HB2 CYS 18 5.643 -15.992 -2.771 117 HB3 CYS 18 HB3 CYS 18 6.249 -16.090 -1.121 118 H CYS 19 H CYS 19 6.937 -13.871 -0.518 119 HA CYS 19 HA CYS 19 7.190 -11.715 -2.513 120 HB2 CYS 19 HB2 CYS 19 7.044 -11.430 0.242 121 HB3 CYS 19 HB3 CYS 19 8.771 -11.342 -0.090 122 H ALA 20 H ALA 20 9.718 -10.949 -2.274 123 HA ALA 20 HA ALA 20 11.814 -11.435 -3.025 124 HB1 ALA 20 HB1 ALA 20 11.567 -13.916 -1.337 125 HB2 ALA 20 HB2 ALA 20 13.039 -13.052 -1.781 126 HB3 ALA 20 HB3 ALA 20 11.881 -12.311 -0.678 127 H ASN 21 H ASN 21 9.513 -12.482 -4.547 128 HA ASN 21 HA ASN 21 9.133 -13.738 -6.404 129 HB2 ASN 21 HB2 ASN 21 12.035 -14.518 -6.457 130 HB3 ASN 21 HB3 ASN 21 10.943 -14.234 -7.809 131 HD21 ASN 21 HD21 ASN 21 13.360 -12.943 -5.898 132 HD22 ASN 21 HD22 ASN 21 13.230 -11.292 -6.392 133 H LEU 22 H LEU 22 9.006 -14.932 -3.740 134 HA LEU 22 HA LEU 22 10.028 -17.579 -3.815 135 HB2 LEU 22 HB2 LEU 22 7.938 -16.192 -2.175 136 HB3 LEU 22 HB3 LEU 22 8.213 -17.926 -2.018 137 HG LEU 22 HG LEU 22 10.521 -16.058 -1.718 138 HD11 LEU 22 HD11 LEU 22 8.332 -15.480 -0.293 139 HD12 LEU 22 HD12 LEU 22 9.968 -15.310 0.342 140 HD13 LEU 22 HD13 LEU 22 9.016 -16.743 0.730 141 HD21 LEU 22 HD21 LEU 22 10.503 -18.096 0.198 142 HD22 LEU 22 HD22 LEU 22 11.492 -18.002 -1.260 143 HD23 LEU 22 HD23 LEU 22 9.942 -18.843 -1.298 144 H VAL 23 H VAL 23 8.238 -19.405 -3.386 145 HA VAL 23 HA VAL 23 6.187 -19.206 -5.482 146 HB VAL 23 HB VAL 23 8.042 -20.418 -6.476 147 HG11 VAL 23 HG11 VAL 23 7.870 -22.069 -3.976 148 HG12 VAL 23 HG12 VAL 23 8.605 -22.697 -5.452 149 HG13 VAL 23 HG13 VAL 23 9.273 -21.262 -4.674 150 HG21 VAL 23 HG21 VAL 23 5.471 -21.201 -6.505 151 HG22 VAL 23 HG22 VAL 23 6.738 -21.996 -7.440 152 HG23 VAL 23 HG23 VAL 23 6.227 -22.673 -5.894 153 H CYS 24 H CYS 24 4.297 -20.318 -5.098 154 HA CYS 24 HA CYS 24 3.948 -21.262 -2.351 155 HB2 CYS 24 HB2 CYS 24 2.442 -19.499 -3.500 156 HB3 CYS 24 HB3 CYS 24 1.730 -20.870 -4.345 157 H SER 25 H SER 25 4.642 -23.350 -2.312 158 HA SER 25 HA SER 25 4.267 -25.252 -4.339 159 HB2 SER 25 HB2 SER 25 5.926 -25.724 -2.713 160 HB3 SER 25 HB3 SER 25 4.792 -25.512 -1.379 161 HG SER 25 HG SER 25 4.829 -27.612 -3.288 162 H SER 26 H SER 26 2.481 -26.200 -5.036 163 HA SER 26 HA SER 26 -0.029 -25.867 -3.758 164 HB2 SER 26 HB2 SER 26 0.050 -28.050 -5.687 165 HB3 SER 26 HB3 SER 26 -0.848 -26.533 -5.745 166 HG SER 26 HG SER 26 0.639 -26.587 -7.430 167 H LYS 27 H LYS 27 2.497 -28.001 -3.185 168 HA LYS 27 HA LYS 27 0.793 -30.150 -2.189 169 HB2 LYS 27 HB2 LYS 27 3.763 -29.846 -2.558 170 HB3 LYS 27 HB3 LYS 27 3.091 -31.164 -1.608 171 HG2 LYS 27 HG2 LYS 27 2.376 -30.610 -4.478 172 HG3 LYS 27 HG3 LYS 27 3.604 -31.765 -3.957 173 HD2 LYS 27 HD2 LYS 27 1.774 -32.851 -2.566 174 HD3 LYS 27 HD3 LYS 27 0.636 -31.852 -3.472 175 HE2 LYS 27 HE2 LYS 27 2.639 -33.622 -4.842 176 HE3 LYS 27 HE3 LYS 27 1.069 -34.228 -4.316 177 HZ1 LYS 27 HZ1 LYS 27 1.628 -32.950 -6.680 178 HZ2 LYS 27 HZ2 LYS 27 0.805 -31.793 -5.761 179 HZ3 LYS 27 HZ3 LYS 27 0.093 -33.298 -6.060 180 H HIS 28 H HIS 28 3.604 -28.394 -0.866 181 HA HIS 28 HA HIS 28 2.844 -28.954 1.831 182 HB2 HIS 28 HB2 HIS 28 5.085 -27.680 0.454 183 HB3 HIS 28 HB3 HIS 28 4.666 -26.877 1.965 184 HD1 HIS 28 HD1 HIS 28 4.294 -28.834 4.002 185 HD2 HIS 28 HD2 HIS 28 6.911 -29.612 0.870 186 HE1 HIS 28 HE1 HIS 28 5.830 -30.640 4.842 187 H LYS 29 H LYS 29 1.987 -26.554 -0.436 188 HA LYS 29 HA LYS 29 0.705 -24.678 -0.327 189 HB2 LYS 29 HB2 LYS 29 -0.176 -25.680 2.380 190 HB3 LYS 29 HB3 LYS 29 -1.064 -24.628 1.285 191 HG2 LYS 29 HG2 LYS 29 -1.125 -26.536 -0.342 192 HG3 LYS 29 HG3 LYS 29 -0.469 -27.555 0.941 193 HD2 LYS 29 HD2 LYS 29 -2.930 -25.909 1.404 194 HD3 LYS 29 HD3 LYS 29 -3.032 -27.471 0.588 195 HE2 LYS 29 HE2 LYS 29 -1.593 -28.259 2.648 196 HE3 LYS 29 HE3 LYS 29 -2.303 -26.835 3.407 197 HZ1 LYS 29 HZ1 LYS 29 -4.450 -27.975 2.288 198 HZ2 LYS 29 HZ2 LYS 29 -3.962 -28.241 3.885 199 HZ3 LYS 29 HZ3 LYS 29 -3.538 -29.346 2.676 200 H TRP 30 H TRP 30 3.107 -23.908 0.101 201 HA TRP 30 HA TRP 30 2.884 -21.792 2.033 202 HB2 TRP 30 HB2 TRP 30 4.878 -22.359 3.325 203 HB3 TRP 30 HB3 TRP 30 3.674 -23.638 3.463 204 HD1 TRP 30 HD1 TRP 30 4.957 -24.337 0.229 205 HE1 TRP 30 HE1 TRP 30 6.901 -26.023 0.269 206 HE3 TRP 30 HE3 TRP 30 6.153 -24.078 5.193 207 HZ2 TRP 30 HZ2 TRP 30 8.703 -27.102 2.156 208 HZ3 TRP 30 HZ3 TRP 30 7.999 -25.470 6.035 209 HH2 TRP 30 HH2 TRP 30 9.246 -26.950 4.547 210 H CYS 31 H CYS 31 4.942 -20.431 2.029 211 HA CYS 31 HA CYS 31 5.718 -20.043 -0.734 212 HB2 CYS 31 HB2 CYS 31 6.422 -18.462 1.748 213 HB3 CYS 31 HB3 CYS 31 6.784 -17.980 0.094 214 H LYS 32 H LYS 32 7.061 -21.811 -1.153 215 HA LYS 32 HA LYS 32 9.552 -21.968 0.393 216 HB2 LYS 32 HB2 LYS 32 9.866 -24.158 -0.680 217 HB3 LYS 32 HB3 LYS 32 8.334 -24.069 0.179 218 HG2 LYS 32 HG2 LYS 32 7.426 -24.879 -1.682 219 HG3 LYS 32 HG3 LYS 32 7.653 -23.262 -2.354 220 HD2 LYS 32 HD2 LYS 32 8.571 -24.859 -3.892 221 HD3 LYS 32 HD3 LYS 32 9.904 -23.976 -3.145 222 HE2 LYS 32 HE2 LYS 32 10.533 -25.792 -1.834 223 HE3 LYS 32 HE3 LYS 32 8.961 -26.574 -1.993 224 HZ1 LYS 32 HZ1 LYS 32 10.292 -27.812 -3.385 225 HZ2 LYS 32 HZ2 LYS 32 11.183 -26.479 -3.922 226 HZ3 LYS 32 HZ3 LYS 32 9.601 -26.715 -4.471 227 H GLY 33 H GLY 33 11.403 -22.879 -1.196 228 HA2 GLY 33 HA2 GLY 33 11.779 -20.720 -3.124 229 HA3 GLY 33 HA3 GLY 33 13.019 -21.818 -2.536 230 H LYS 34 H LYS 34 11.450 -20.955 -5.224 231 HA LYS 34 HA LYS 34 10.800 -23.503 -6.354 232 HB2 LYS 34 HB2 LYS 34 9.644 -21.585 -7.198 233 HB3 LYS 34 HB3 LYS 34 11.154 -20.757 -7.556 234 HG2 LYS 34 HG2 LYS 34 10.071 -21.606 -9.574 235 HG3 LYS 34 HG3 LYS 34 11.648 -22.353 -9.310 236 HD2 LYS 34 HD2 LYS 34 10.043 -24.034 -9.996 237 HD3 LYS 34 HD3 LYS 34 10.525 -24.313 -8.321 238 HE2 LYS 34 HE2 LYS 34 8.481 -23.671 -7.484 239 HE3 LYS 34 HE3 LYS 34 8.112 -22.652 -8.875 240 HZ1 LYS 34 HZ1 LYS 34 7.728 -25.525 -8.521 241 HZ2 LYS 34 HZ2 LYS 34 8.149 -24.989 -10.069 242 HZ3 LYS 34 HZ3 LYS 34 6.755 -24.394 -9.319 243 H LEU 35 H LEU 35 12.265 -24.969 -6.898 244 HA LEU 35 HA LEU 35 15.024 -24.341 -7.258 245 HB2 LEU 35 HB2 LEU 35 14.369 -26.459 -6.311 246 HB3 LEU 35 HB3 LEU 35 13.461 -26.867 -7.765 247 HG LEU 35 HG LEU 35 15.536 -27.036 -9.032 248 HD11 LEU 35 HD11 LEU 35 17.451 -27.088 -6.937 249 HD12 LEU 35 HD12 LEU 35 16.593 -25.550 -6.863 250 HD13 LEU 35 HD13 LEU 35 17.394 -26.041 -8.355 251 HD21 LEU 35 HD21 LEU 35 16.001 -28.636 -6.551 252 HD22 LEU 35 HD22 LEU 35 16.162 -29.114 -8.241 253 HD23 LEU 35 HD23 LEU 35 14.560 -28.917 -7.528
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