NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
632059 | 6ba3 | 30352 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 H SER 1 1.807 0.001 0.856 2 HA SER 1 HA SER 1 1.530 0.557 -1.977 3 HB2 SER 1 HB2 SER 1 3.902 0.305 -0.130 4 HB3 SER 1 HB3 SER 1 4.088 0.474 -1.875 5 HG SER 1 HG SER 1 4.046 2.527 -1.320 6 H ASN 2 H ASN 2 0.335 -1.768 -1.675 7 HA ASN 2 HA ASN 2 1.867 -4.101 -1.680 8 HB2 ASN 2 HB2 ASN 2 -0.771 -3.503 -3.032 9 HB3 ASN 2 HB3 ASN 2 -0.081 -5.117 -2.890 10 HD21 ASN 2 HD21 ASN 2 -2.109 -5.555 -1.779 11 HD22 ASN 2 HD22 ASN 2 -2.228 -5.210 -0.091 12 H ARG 3 H ARG 3 2.174 -5.576 -3.571 13 HA ARG 3 HA ARG 3 3.833 -4.380 -5.491 14 HB2 ARG 3 HB2 ARG 3 2.483 -7.072 -5.728 15 HB3 ARG 3 HB3 ARG 3 3.968 -6.556 -6.515 16 HG2 ARG 3 HG2 ARG 3 3.589 -6.918 -3.550 17 HG3 ARG 3 HG3 ARG 3 4.408 -8.044 -4.635 18 HD2 ARG 3 HD2 ARG 3 6.122 -6.439 -5.107 19 HD3 ARG 3 HD3 ARG 3 5.250 -5.179 -4.236 20 HE ARG 3 HE ARG 3 5.660 -7.122 -2.371 21 HH11 ARG 3 HH11 ARG 3 7.719 -5.313 -4.518 22 HH12 ARG 3 HH12 ARG 3 9.088 -5.362 -3.457 23 HH21 ARG 3 HH21 ARG 3 7.455 -7.193 -0.965 24 HH22 ARG 3 HH22 ARG 3 8.937 -6.432 -1.437 25 H TRP 4 H TRP 4 0.445 -5.338 -5.597 26 HA TRP 4 HA TRP 4 -0.070 -5.162 -8.303 27 HB2 TRP 4 HB2 TRP 4 -1.921 -4.182 -6.122 28 HB3 TRP 4 HB3 TRP 4 -2.379 -4.758 -7.723 29 HD1 TRP 4 HD1 TRP 4 -2.318 -5.917 -4.298 30 HE1 TRP 4 HE1 TRP 4 -2.353 -8.486 -4.159 31 HE3 TRP 4 HE3 TRP 4 -1.121 -7.009 -9.147 32 HZ2 TRP 4 HZ2 TRP 4 -1.929 -10.686 -5.877 33 HZ3 TRP 4 HZ3 TRP 4 -0.955 -9.370 -9.817 34 HH2 TRP 4 HH2 TRP 4 -1.351 -11.169 -8.215 35 H ASN 5 H ASN 5 0.258 -2.578 -5.937 36 HA ASN 5 HA ASN 5 -0.720 -0.448 -7.452 37 HB2 ASN 5 HB2 ASN 5 1.468 -0.494 -5.363 38 HB3 ASN 5 HB3 ASN 5 0.740 0.977 -6.003 39 HD21 ASN 5 HD21 ASN 5 -0.638 1.810 -4.628 40 HD22 ASN 5 HD22 ASN 5 -1.739 0.935 -3.624 41 H LEU 6 H LEU 6 2.420 -2.024 -7.460 42 HA LEU 6 HA LEU 6 3.491 -0.097 -9.363 43 HB2 LEU 6 HB2 LEU 6 4.734 -2.563 -8.153 44 HB3 LEU 6 HB3 LEU 6 5.565 -1.389 -9.171 45 HG LEU 6 HG LEU 6 6.245 -0.846 -7.012 46 HD11 LEU 6 HD11 LEU 6 5.086 1.016 -8.424 47 HD12 LEU 6 HD12 LEU 6 5.564 1.335 -6.758 48 HD13 LEU 6 HD13 LEU 6 3.881 0.970 -7.137 49 HD21 LEU 6 HD21 LEU 6 3.572 -0.629 -5.784 50 HD22 LEU 6 HD22 LEU 6 5.095 -1.204 -5.104 51 HD23 LEU 6 HD23 LEU 6 4.134 -2.264 -6.136 52 H GLY 7 H GLY 7 1.329 -2.327 -9.782 53 HA2 GLY 7 HA2 GLY 7 0.691 -3.732 -11.484 54 HA3 GLY 7 HA3 GLY 7 1.675 -2.691 -12.502 55 H TYR 8 H TYR 8 2.948 -4.614 -9.859 56 HA TYR 8 HA TYR 8 4.977 -5.750 -11.445 57 HB2 TYR 8 HB2 TYR 8 5.271 -5.507 -9.055 58 HB3 TYR 8 HB3 TYR 8 3.905 -6.571 -8.739 59 HD1 TYR 8 HD1 TYR 8 6.738 -6.974 -11.129 60 HD2 TYR 8 HD2 TYR 8 4.797 -8.409 -7.626 61 HE1 TYR 8 HE1 TYR 8 8.261 -8.904 -11.083 62 HE2 TYR 8 HE2 TYR 8 6.315 -10.343 -7.569 63 HH TYR 8 HH TYR 8 9.103 -10.550 -9.589 64 H GLY 9 H GLY 9 1.918 -7.083 -10.226 65 HA2 GLY 9 HA2 GLY 9 2.171 -9.700 -11.094 66 HA3 GLY 9 HA3 GLY 9 0.643 -8.841 -10.971 67 H ILE 10 H ILE 10 1.053 -6.881 -12.927 68 HA ILE 10 HA ILE 10 0.163 -8.125 -15.224 69 HB ILE 10 HB ILE 10 1.693 -5.524 -15.087 70 HG12 ILE 10 HG12 ILE 10 -1.279 -6.064 -14.903 71 HG13 ILE 10 HG13 ILE 10 -0.243 -5.574 -13.567 72 HG21 ILE 10 HG21 ILE 10 1.470 -6.472 -17.357 73 HG22 ILE 10 HG22 ILE 10 -0.281 -6.492 -17.150 74 HG23 ILE 10 HG23 ILE 10 0.589 -4.957 -17.159 75 HD11 ILE 10 HD11 ILE 10 -1.641 -3.948 -15.403 76 HD12 ILE 10 HD12 ILE 10 -0.599 -3.455 -14.068 77 HD13 ILE 10 HD13 ILE 10 0.085 -3.705 -15.674 78 HA PRO 11 HA PRO 11 3.781 -10.058 -16.879 79 HB2 PRO 11 HB2 PRO 11 2.793 -10.585 -19.352 80 HB3 PRO 11 HB3 PRO 11 2.332 -11.508 -17.916 81 HG2 PRO 11 HG2 PRO 11 0.874 -9.280 -19.285 82 HG3 PRO 11 HG3 PRO 11 0.236 -10.801 -18.634 83 HD2 PRO 11 HD2 PRO 11 0.035 -8.450 -17.306 84 HD3 PRO 11 HD3 PRO 11 0.203 -10.007 -16.470 85 H HIS 12 H HIS 12 5.537 -8.963 -17.472 86 HA HIS 12 HA HIS 12 5.278 -6.919 -19.579 87 HB2 HIS 12 HB2 HIS 12 7.456 -6.939 -17.499 88 HB3 HIS 12 HB3 HIS 12 6.945 -5.610 -18.535 89 HD1 HIS 12 HD1 HIS 12 6.884 -6.358 -15.174 90 HD2 HIS 12 HD2 HIS 12 3.896 -5.215 -17.825 91 HE1 HIS 12 HE1 HIS 12 5.048 -5.402 -13.746 92 H LYS 13 H LYS 13 7.224 -6.595 -20.906 93 HA LYS 13 HA LYS 13 8.609 -9.153 -21.362 94 HB2 LYS 13 HB2 LYS 13 7.060 -8.003 -23.146 95 HB3 LYS 13 HB3 LYS 13 8.470 -6.989 -23.427 96 HG2 LYS 13 HG2 LYS 13 9.791 -9.082 -23.800 97 HG3 LYS 13 HG3 LYS 13 8.268 -9.973 -23.738 98 HD2 LYS 13 HD2 LYS 13 8.654 -7.657 -25.608 99 HD3 LYS 13 HD3 LYS 13 9.175 -9.287 -26.042 100 HE2 LYS 13 HE2 LYS 13 6.946 -10.125 -25.848 101 HE3 LYS 13 HE3 LYS 13 6.378 -8.610 -25.149 102 HZ1 LYS 13 HZ1 LYS 13 7.329 -7.708 -27.434 103 HZ2 LYS 13 HZ2 LYS 13 5.743 -8.274 -27.277 104 HZ3 LYS 13 HZ3 LYS 13 6.938 -9.277 -27.931 105 H GLN 14 H GLN 14 10.600 -9.135 -20.555 106 HA GLN 14 HA GLN 14 12.057 -6.763 -19.999 107 HB2 GLN 14 HB2 GLN 14 12.249 -9.051 -18.856 108 HB3 GLN 14 HB3 GLN 14 13.263 -9.513 -20.217 109 HG2 GLN 14 HG2 GLN 14 14.926 -7.968 -19.649 110 HG3 GLN 14 HG3 GLN 14 13.854 -7.085 -18.564 111 HE21 GLN 14 HE21 GLN 14 16.282 -7.804 -17.659 112 HE22 GLN 14 HE22 GLN 14 16.150 -9.080 -16.502 113 H VAL 15 H VAL 15 13.824 -5.865 -21.024 114 HA VAL 15 HA VAL 15 14.808 -7.022 -23.497 115 HB VAL 15 HB VAL 15 14.449 -4.857 -24.738 116 HG11 VAL 15 HG11 VAL 15 11.895 -6.254 -23.963 117 HG12 VAL 15 HG12 VAL 15 12.267 -5.454 -25.491 118 HG13 VAL 15 HG13 VAL 15 13.099 -6.946 -25.050 119 HG21 VAL 15 HG21 VAL 15 12.695 -3.365 -23.982 120 HG22 VAL 15 HG22 VAL 15 12.443 -4.350 -22.541 121 HG23 VAL 15 HG23 VAL 15 13.958 -3.474 -22.756 122 H LYS 16 H LYS 16 16.719 -5.963 -24.301 123 HA LYS 16 HA LYS 16 18.318 -4.863 -22.153 124 HB2 LYS 16 HB2 LYS 16 19.072 -5.463 -25.019 125 HB3 LYS 16 HB3 LYS 16 20.189 -5.077 -23.717 126 HG2 LYS 16 HG2 LYS 16 19.767 -7.119 -22.615 127 HG3 LYS 16 HG3 LYS 16 18.354 -7.453 -23.620 128 HD2 LYS 16 HD2 LYS 16 20.111 -8.833 -24.426 129 HD3 LYS 16 HD3 LYS 16 19.916 -7.526 -25.596 130 HE2 LYS 16 HE2 LYS 16 21.793 -6.334 -24.508 131 HE3 LYS 16 HE3 LYS 16 22.015 -7.717 -23.437 132 HZ1 LYS 16 HZ1 LYS 16 23.173 -7.356 -25.891 133 HZ2 LYS 16 HZ2 LYS 16 21.959 -8.497 -26.179 134 HZ3 LYS 16 HZ3 LYS 16 23.137 -8.795 -25.002 135 H LEU 17 H LEU 17 19.050 -2.809 -21.970 136 HA LEU 17 HA LEU 17 17.857 -0.827 -23.746 137 HB2 LEU 17 HB2 LEU 17 19.246 -0.641 -21.086 138 HB3 LEU 17 HB3 LEU 17 18.797 0.781 -22.026 139 HG LEU 17 HG LEU 17 16.658 -1.183 -21.407 140 HD11 LEU 17 HD11 LEU 17 17.687 -1.108 -19.267 141 HD12 LEU 17 HD12 LEU 17 16.297 -0.024 -19.213 142 HD13 LEU 17 HD13 LEU 17 17.924 0.637 -19.371 143 HD21 LEU 17 HD21 LEU 17 15.951 0.650 -22.672 144 HD22 LEU 17 HD22 LEU 17 16.916 1.789 -21.733 145 HD23 LEU 17 HD23 LEU 17 15.475 1.058 -21.024 146 HA PRO 18 HA PRO 18 21.530 0.192 -25.921 147 HB2 PRO 18 HB2 PRO 18 21.282 2.882 -26.195 148 HB3 PRO 18 HB3 PRO 18 20.283 1.729 -27.088 149 HG2 PRO 18 HG2 PRO 18 19.632 3.278 -24.610 150 HG3 PRO 18 HG3 PRO 18 18.624 2.974 -26.037 151 HD2 PRO 18 HD2 PRO 18 18.350 1.575 -23.736 152 HD3 PRO 18 HD3 PRO 18 18.040 0.859 -25.331 153 H ASN 19 H ASN 19 20.959 1.423 -22.784 154 HA ASN 19 HA ASN 19 23.409 2.905 -22.536 155 HB2 ASN 19 HB2 ASN 19 21.367 1.966 -20.518 156 HB3 ASN 19 HB3 ASN 19 22.803 2.883 -20.075 157 HD21 ASN 19 HD21 ASN 19 19.639 3.002 -21.326 158 HD22 ASN 19 HD22 ASN 19 19.560 4.706 -21.599 159 H GLY 20 H GLY 20 22.488 -0.386 -22.292 160 HA2 GLY 20 HA2 GLY 20 24.286 -2.028 -22.337 161 HA3 GLY 20 HA3 GLY 20 25.153 -1.018 -21.189 162 H GLN 21 H GLN 21 22.532 -0.569 -19.737 163 HA GLN 21 HA GLN 21 22.697 -3.005 -18.127 164 HB2 GLN 21 HB2 GLN 21 21.328 -0.390 -17.481 165 HB3 GLN 21 HB3 GLN 21 21.618 -1.722 -16.371 166 HG2 GLN 21 HG2 GLN 21 23.823 -0.206 -17.735 167 HG3 GLN 21 HG3 GLN 21 23.168 0.237 -16.160 168 HE21 GLN 21 HE21 GLN 21 25.829 -0.390 -16.513 169 HE22 GLN 21 HE22 GLN 21 26.177 -1.875 -15.700 170 H LEU 22 H LEU 22 20.600 -3.730 -17.097 171 HA LEU 22 HA LEU 22 18.621 -4.047 -19.214 172 HB2 LEU 22 HB2 LEU 22 19.081 -5.444 -16.593 173 HB3 LEU 22 HB3 LEU 22 17.651 -5.730 -17.581 174 HG LEU 22 HG LEU 22 20.511 -6.296 -18.361 175 HD11 LEU 22 HD11 LEU 22 18.331 -8.322 -18.115 176 HD12 LEU 22 HD12 LEU 22 19.203 -7.787 -16.679 177 HD13 LEU 22 HD13 LEU 22 20.079 -8.533 -18.015 178 HD21 LEU 22 HD21 LEU 22 19.297 -5.607 -20.312 179 HD22 LEU 22 HD22 LEU 22 17.932 -6.640 -19.885 180 HD23 LEU 22 HD23 LEU 22 19.473 -7.361 -20.353 181 H CYS 23 H CYS 23 16.333 -3.866 -18.752 182 HA CYS 23 HA CYS 23 15.565 -1.432 -17.709 183 HB2 CYS 23 HB2 CYS 23 13.851 -3.922 -17.846 184 HB3 CYS 23 HB3 CYS 23 13.274 -2.260 -17.788 185 H LYS 24 H LYS 24 14.134 -0.991 -15.843 186 HA LYS 24 HA LYS 24 15.216 -2.277 -13.455 187 HB2 LYS 24 HB2 LYS 24 13.918 0.341 -14.044 188 HB3 LYS 24 HB3 LYS 24 13.762 -0.308 -12.417 189 HG2 LYS 24 HG2 LYS 24 16.385 0.113 -13.830 190 HG3 LYS 24 HG3 LYS 24 15.658 1.259 -12.702 191 HD2 LYS 24 HD2 LYS 24 16.189 0.013 -10.894 192 HD3 LYS 24 HD3 LYS 24 15.889 -1.513 -11.729 193 HE2 LYS 24 HE2 LYS 24 18.032 -1.706 -12.422 194 HE3 LYS 24 HE3 LYS 24 18.220 0.030 -12.665 195 HZ1 LYS 24 HZ1 LYS 24 18.449 0.309 -10.281 196 HZ2 LYS 24 HZ2 LYS 24 19.612 -0.774 -10.860 197 HZ3 LYS 24 HZ3 LYS 24 18.252 -1.354 -10.037 198 H GLU 25 H GLU 25 13.896 -3.077 -11.781 199 HA GLU 25 HA GLU 25 11.376 -4.178 -12.730 200 HB2 GLU 25 HB2 GLU 25 12.648 -4.679 -10.046 201 HB3 GLU 25 HB3 GLU 25 11.496 -5.690 -10.907 202 HG2 GLU 25 HG2 GLU 25 13.688 -5.445 -12.617 203 HG3 GLU 25 HG3 GLU 25 14.366 -5.689 -11.009 204 HA PRO 26 HA PRO 26 8.725 -1.434 -10.561 205 HB2 PRO 26 HB2 PRO 26 6.678 -3.093 -9.907 206 HB3 PRO 26 HB3 PRO 26 6.972 -2.535 -11.558 207 HG2 PRO 26 HG2 PRO 26 7.709 -5.139 -10.280 208 HG3 PRO 26 HG3 PRO 26 7.033 -4.835 -11.891 209 HD2 PRO 26 HD2 PRO 26 9.667 -5.315 -11.483 210 HD3 PRO 26 HD3 PRO 26 9.079 -4.251 -12.777 211 H GLY 27 H GLY 27 9.156 -0.632 -8.605 212 HA2 GLY 27 HA2 GLY 27 8.648 -0.719 -6.239 213 HA3 GLY 27 HA3 GLY 27 8.966 -2.447 -6.288 214 H ASP 28 H ASP 28 11.382 -2.147 -7.904 215 HA ASP 28 HA ASP 28 13.210 -1.611 -5.733 216 HB2 ASP 28 HB2 ASP 28 13.440 -2.783 -8.476 217 HB3 ASP 28 HB3 ASP 28 14.896 -2.197 -7.675 218 H SER 29 H SER 29 14.907 -0.103 -5.762 219 HA SER 29 HA SER 29 14.246 2.442 -6.750 220 HB2 SER 29 HB2 SER 29 16.264 3.194 -5.784 221 HB3 SER 29 HB3 SER 29 15.784 1.826 -4.781 222 HG SER 29 HG SER 29 18.056 2.148 -6.056 223 H CYS 30 H CYS 30 15.205 3.719 -8.368 224 HA CYS 30 HA CYS 30 16.648 2.212 -10.448 225 HB2 CYS 30 HB2 CYS 30 14.792 4.471 -11.127 226 HB3 CYS 30 HB3 CYS 30 15.359 3.156 -12.152 227 H SER 31 H SER 31 17.581 3.887 -12.117 228 HA SER 31 HA SER 31 19.081 5.853 -10.530 229 HB2 SER 31 HB2 SER 31 19.910 3.902 -12.394 230 HB3 SER 31 HB3 SER 31 20.160 5.465 -13.171 231 HG SER 31 HG SER 31 21.579 6.021 -11.646 232 H LYS 32 H LYS 32 17.081 5.452 -13.372 233 HA LYS 32 HA LYS 32 16.534 8.283 -13.428 234 HB2 LYS 32 HB2 LYS 32 18.107 6.929 -15.596 235 HB3 LYS 32 HB3 LYS 32 17.054 8.283 -15.981 236 HG2 LYS 32 HG2 LYS 32 18.294 9.594 -14.221 237 HG3 LYS 32 HG3 LYS 32 19.454 8.264 -14.174 238 HD2 LYS 32 HD2 LYS 32 19.733 8.567 -16.659 239 HD3 LYS 32 HD3 LYS 32 18.777 10.044 -16.511 240 HE2 LYS 32 HE2 LYS 32 21.388 9.450 -15.119 241 HE3 LYS 32 HE3 LYS 32 21.155 10.552 -16.476 242 HZ1 LYS 32 HZ1 LYS 32 21.267 11.714 -14.345 243 HZ2 LYS 32 HZ2 LYS 32 19.913 10.862 -13.795 244 HZ3 LYS 32 HZ3 LYS 32 19.766 11.938 -15.093 245 H ARG 33 H ARG 33 14.686 8.816 -14.671 246 HA ARG 33 HA ARG 33 12.628 6.963 -14.651 247 HB2 ARG 33 HB2 ARG 33 12.446 9.485 -14.816 248 HB3 ARG 33 HB3 ARG 33 12.770 9.315 -16.536 249 HG2 ARG 33 HG2 ARG 33 10.748 8.231 -16.936 250 HG3 ARG 33 HG3 ARG 33 10.523 7.828 -15.232 251 HD2 ARG 33 HD2 ARG 33 9.686 9.872 -14.719 252 HD3 ARG 33 HD3 ARG 33 10.700 10.701 -15.899 253 HE ARG 33 HE ARG 33 8.042 9.696 -16.303 254 HH11 ARG 33 HH11 ARG 33 11.045 10.526 -17.856 255 HH12 ARG 33 HH12 ARG 33 10.317 10.808 -19.403 256 HH21 ARG 33 HH21 ARG 33 7.072 10.064 -18.334 257 HH22 ARG 33 HH22 ARG 33 8.057 10.546 -19.673 258 H ASP 34 H ASP 34 14.954 7.694 -17.164 259 HA ASP 34 HA ASP 34 13.665 6.368 -19.294 260 HB2 ASP 34 HB2 ASP 34 15.774 7.964 -19.224 261 HB3 ASP 34 HB3 ASP 34 16.647 6.437 -19.131 262 H GLU 35 H GLU 35 15.507 5.226 -16.595 263 HA GLU 35 HA GLU 35 16.302 2.722 -17.621 264 HB2 GLU 35 HB2 GLU 35 15.718 3.514 -14.762 265 HB3 GLU 35 HB3 GLU 35 16.584 2.069 -15.262 266 HG2 GLU 35 HG2 GLU 35 18.096 3.862 -16.496 267 HG3 GLU 35 HG3 GLU 35 17.470 4.893 -15.210 268 H CYS 36 H CYS 36 13.316 3.877 -16.221 269 HA CYS 36 HA CYS 36 12.147 1.335 -15.737 270 HB2 CYS 36 HB2 CYS 36 11.484 3.854 -15.029 271 HB3 CYS 36 HB3 CYS 36 10.366 3.617 -16.368 272 H CYS 37 H CYS 37 11.363 -0.088 -17.135 273 HA CYS 37 HA CYS 37 11.152 0.614 -19.940 274 HB2 CYS 37 HB2 CYS 37 11.411 -1.853 -18.371 275 HB3 CYS 37 HB3 CYS 37 10.318 -1.997 -19.744 276 H LYS 38 H LYS 38 9.200 -0.708 -21.038 277 HA LYS 38 HA LYS 38 6.768 0.342 -19.758 278 HB2 LYS 38 HB2 LYS 38 7.063 -0.408 -22.662 279 HB3 LYS 38 HB3 LYS 38 5.808 0.576 -21.921 280 HG2 LYS 38 HG2 LYS 38 7.931 2.064 -21.287 281 HG3 LYS 38 HG3 LYS 38 8.549 1.300 -22.754 282 HD2 LYS 38 HD2 LYS 38 7.029 2.343 -24.101 283 HD3 LYS 38 HD3 LYS 38 5.801 2.425 -22.836 284 HE2 LYS 38 HE2 LYS 38 8.315 4.043 -22.644 285 HE3 LYS 38 HE3 LYS 38 6.955 4.606 -23.614 286 HZ1 LYS 38 HZ1 LYS 38 5.926 5.283 -21.790 287 HZ2 LYS 38 HZ2 LYS 38 7.299 4.888 -20.885 288 HZ3 LYS 38 HZ3 LYS 38 6.055 3.757 -21.071 289 H ALA 39 H ALA 39 4.836 -0.903 -19.827 290 HA ALA 39 HA ALA 39 5.286 -3.706 -19.411 291 HB1 ALA 39 HB1 ALA 39 2.736 -2.097 -19.421 292 HB2 ALA 39 HB2 ALA 39 2.870 -3.785 -18.925 293 HB3 ALA 39 HB3 ALA 39 3.705 -2.528 -18.012 294 H ASP 40 H ASP 40 3.595 -5.267 -20.404 295 HA ASP 40 HA ASP 40 4.134 -5.575 -23.107 296 HB2 ASP 40 HB2 ASP 40 2.023 -6.714 -21.301 297 HB3 ASP 40 HB3 ASP 40 2.020 -7.093 -23.021 298 H ASP 41 H ASP 41 1.417 -3.992 -21.520 299 HA ASP 41 HA ASP 41 0.480 -3.087 -24.165 300 HB2 ASP 41 HB2 ASP 41 -1.018 -4.554 -22.555 301 HB3 ASP 41 HB3 ASP 41 -1.303 -3.004 -21.768 302 H GLN 42 H GLN 42 2.456 -1.601 -23.393 303 HA GLN 42 HA GLN 42 2.151 0.386 -21.505 304 HB2 GLN 42 HB2 GLN 42 3.810 1.624 -22.683 305 HB3 GLN 42 HB3 GLN 42 4.189 -0.078 -22.909 306 HG2 GLN 42 HG2 GLN 42 3.221 -0.029 -25.129 307 HG3 GLN 42 HG3 GLN 42 2.753 1.656 -24.905 308 HE21 GLN 42 HE21 GLN 42 5.600 -0.450 -24.812 309 HE22 GLN 42 HE22 GLN 42 6.690 0.701 -25.498 310 H LYS 43 H LYS 43 0.656 0.081 -24.637 311 HA LYS 43 HA LYS 43 -0.167 2.704 -25.084 312 HB2 LYS 43 HB2 LYS 43 -1.613 0.138 -25.769 313 HB3 LYS 43 HB3 LYS 43 -1.970 1.717 -26.457 314 HG2 LYS 43 HG2 LYS 43 0.640 0.240 -26.738 315 HG3 LYS 43 HG3 LYS 43 -0.628 0.334 -27.962 316 HD2 LYS 43 HD2 LYS 43 -0.327 2.921 -27.611 317 HD3 LYS 43 HD3 LYS 43 1.261 2.438 -27.011 318 HE2 LYS 43 HE2 LYS 43 1.457 2.925 -29.346 319 HE3 LYS 43 HE3 LYS 43 1.607 1.182 -29.133 320 HZ1 LYS 43 HZ1 LYS 43 0.000 2.320 -30.923 321 HZ2 LYS 43 HZ2 LYS 43 -1.079 2.160 -29.630 322 HZ3 LYS 43 HZ3 LYS 43 -0.290 0.797 -30.247 323 H THR 44 H THR 44 -1.437 0.260 -22.936 324 HA THR 44 HA THR 44 -3.645 2.048 -22.182 325 HB THR 44 HB THR 44 -4.388 -0.068 -20.863 326 HG1 THR 44 HG1 THR 44 -2.400 -1.213 -21.278 327 HG21 THR 44 HG21 THR 44 -5.925 0.137 -22.473 328 HG22 THR 44 HG22 THR 44 -4.957 -0.989 -23.425 329 HG23 THR 44 HG23 THR 44 -4.736 0.749 -23.622 330 H TYR 45 H TYR 45 -0.935 0.195 -20.882 331 HA TYR 45 HA TYR 45 -1.357 1.397 -18.245 332 HB2 TYR 45 HB2 TYR 45 0.748 -0.641 -18.945 333 HB3 TYR 45 HB3 TYR 45 0.071 -0.271 -17.363 334 HD1 TYR 45 HD1 TYR 45 -2.843 -0.269 -18.092 335 HD2 TYR 45 HD2 TYR 45 0.302 -2.944 -19.120 336 HE1 TYR 45 HE1 TYR 45 -4.483 -2.082 -18.368 337 HE2 TYR 45 HE2 TYR 45 -1.329 -4.764 -19.399 338 HH TYR 45 HH TYR 45 -4.776 -4.260 -18.734 339 H SER 46 H SER 46 0.013 2.847 -17.352 340 HA SER 46 HA SER 46 2.135 3.890 -19.088 341 HB2 SER 46 HB2 SER 46 0.933 5.760 -18.566 342 HB3 SER 46 HB3 SER 46 0.330 5.078 -17.055 343 HG SER 46 HG SER 46 2.894 6.185 -17.549 344 H SER 47 H SER 47 4.199 3.553 -18.614 345 HA SER 47 HA SER 47 4.869 2.545 -15.933 346 HB2 SER 47 HB2 SER 47 6.764 1.443 -16.920 347 HB3 SER 47 HB3 SER 47 5.359 1.078 -17.922 348 HG SER 47 HG SER 47 6.072 2.862 -19.276 349 H GLY 48 H GLY 48 6.716 3.325 -14.850 350 HA2 GLY 48 HA2 GLY 48 8.492 5.259 -15.790 351 HA3 GLY 48 HA3 GLY 48 7.133 6.114 -15.076 352 H CYS 49 H CYS 49 9.816 6.218 -14.145 353 HA CYS 49 HA CYS 49 9.486 4.965 -11.499 354 HB2 CYS 49 HB2 CYS 49 11.354 4.055 -13.046 355 HB3 CYS 49 HB3 CYS 49 12.182 5.567 -12.686 356 H ALA 50 H ALA 50 8.883 6.569 -10.187 357 HA ALA 50 HA ALA 50 10.479 9.046 -10.227 358 HB1 ALA 50 HB1 ALA 50 8.260 10.069 -9.289 359 HB2 ALA 50 HB2 ALA 50 8.485 9.860 -11.026 360 HB3 ALA 50 HB3 ALA 50 7.520 8.698 -10.115 361 H GLN 51 H GLN 51 10.627 10.157 -8.168 362 HA GLN 51 HA GLN 51 11.312 8.470 -6.049 363 HB2 GLN 51 HB2 GLN 51 11.340 10.585 -4.683 364 HB3 GLN 51 HB3 GLN 51 12.301 10.635 -6.156 365 HG2 GLN 51 HG2 GLN 51 10.586 11.903 -7.281 366 HG3 GLN 51 HG3 GLN 51 9.529 11.773 -5.875 367 HE21 GLN 51 HE21 GLN 51 9.662 13.274 -4.338 368 HE22 GLN 51 HE22 GLN 51 10.865 14.511 -4.253 369 H THR 52 H THR 52 10.296 7.847 -4.186 370 HA THR 52 HA THR 52 7.602 8.784 -3.619 371 HB THR 52 HB THR 52 6.653 6.520 -3.502 372 HG1 THR 52 HG1 THR 52 8.435 5.222 -3.237 373 HG21 THR 52 HG21 THR 52 6.234 6.255 -5.800 374 HG22 THR 52 HG22 THR 52 7.826 6.867 -6.248 375 HG23 THR 52 HG23 THR 52 6.605 7.969 -5.614 376 H TRP 53 H TRP 53 7.291 8.953 -1.491 377 HA TRP 53 HA TRP 53 9.271 8.562 0.390 378 HB2 TRP 53 HB2 TRP 53 7.390 9.988 0.871 379 HB3 TRP 53 HB3 TRP 53 6.271 8.633 0.752 380 HD1 TRP 53 HD1 TRP 53 6.080 7.007 2.846 381 HE1 TRP 53 HE1 TRP 53 6.843 7.231 5.294 382 HE3 TRP 53 HE3 TRP 53 9.276 10.965 2.341 383 HZ2 TRP 53 HZ2 TRP 53 8.571 8.869 6.810 384 HZ3 TRP 53 HZ3 TRP 53 10.444 11.800 4.338 385 HH2 TRP 53 HH2 TRP 53 10.098 10.773 6.526 386 H SER 54 H SER 54 10.247 6.720 0.904 387 HA SER 54 HA SER 54 8.625 4.272 1.107 388 HB2 SER 54 HB2 SER 54 10.574 4.378 -0.552 389 HB3 SER 54 HB3 SER 54 11.631 4.360 0.860 390 HG SER 54 HG SER 54 10.168 2.411 1.394 391 H ALA 55 H ALA 55 8.155 3.676 3.106 392 HA ALA 55 HA ALA 55 9.426 4.773 5.399 393 HB1 ALA 55 HB1 ALA 55 7.039 3.996 5.255 394 HB2 ALA 55 HB2 ALA 55 7.650 2.344 5.344 395 HB3 ALA 55 HB3 ALA 55 7.924 3.459 6.682 396 H MET 56 H MET 56 9.734 1.737 3.649 397 HA MET 56 HA MET 56 11.326 0.406 5.582 398 HB2 MET 56 HB2 MET 56 10.796 -0.014 2.657 399 HB3 MET 56 HB3 MET 56 12.007 -0.978 3.492 400 HG2 MET 56 HG2 MET 56 9.174 -0.759 4.456 401 HG3 MET 56 HG3 MET 56 9.693 -1.972 3.288 402 HE1 MET 56 HE1 MET 56 9.161 -4.250 5.995 403 HE2 MET 56 HE2 MET 56 8.724 -2.806 6.909 404 HE3 MET 56 HE3 MET 56 8.264 -2.948 5.212 405 H GLU 57 H GLU 57 12.139 2.185 2.611 406 HA GLU 57 HA GLU 57 14.956 1.886 2.964 407 HB2 GLU 57 HB2 GLU 57 13.551 3.960 1.280 408 HB3 GLU 57 HB3 GLU 57 15.185 3.345 1.077 409 HG2 GLU 57 HG2 GLU 57 12.704 1.673 0.773 410 HG3 GLU 57 HG3 GLU 57 13.538 2.467 -0.562 411 H GLY 58 H GLY 58 12.576 4.285 3.889 412 HA2 GLY 58 HA2 GLY 58 12.739 5.934 5.501 413 HA3 GLY 58 HA3 GLY 58 14.401 5.439 5.785 414 H GLY 59 H GLY 59 13.113 6.377 2.650 415 HA2 GLY 59 HA2 GLY 59 13.842 9.089 2.700 416 HA3 GLY 59 HA3 GLY 59 15.215 8.162 2.113 417 H PHE 60 H PHE 60 13.483 10.143 0.758 418 HA PHE 60 HA PHE 60 11.706 8.965 -1.033 419 HB2 PHE 60 HB2 PHE 60 13.415 11.436 -1.189 420 HB3 PHE 60 HB3 PHE 60 12.380 10.961 -2.531 421 HD1 PHE 60 HD1 PHE 60 12.567 12.859 0.398 422 HD2 PHE 60 HD2 PHE 60 9.885 10.438 -1.852 423 HE1 PHE 60 HE1 PHE 60 10.659 13.968 1.486 424 HE2 PHE 60 HE2 PHE 60 7.972 11.543 -0.768 425 HZ PHE 60 HZ PHE 60 8.358 13.312 0.902 426 H VAL 61 H VAL 61 12.012 7.487 -2.549 427 HA VAL 61 HA VAL 61 14.523 7.493 -4.069 428 HB VAL 61 HB VAL 61 14.472 4.970 -4.034 429 HG11 VAL 61 HG11 VAL 61 15.570 6.805 -2.230 430 HG12 VAL 61 HG12 VAL 61 14.964 5.472 -1.245 431 HG13 VAL 61 HG13 VAL 61 16.112 5.158 -2.547 432 HG21 VAL 61 HG21 VAL 61 12.055 5.040 -3.086 433 HG22 VAL 61 HG22 VAL 61 13.163 3.782 -2.539 434 HG23 VAL 61 HG23 VAL 61 12.860 5.191 -1.524 435 H ARG 62 H ARG 62 14.355 6.835 -6.197 436 HA ARG 62 HA ARG 62 11.747 7.044 -7.364 437 HB2 ARG 62 HB2 ARG 62 14.485 6.527 -8.518 438 HB3 ARG 62 HB3 ARG 62 13.034 6.577 -9.509 439 HG2 ARG 62 HG2 ARG 62 13.914 8.716 -9.701 440 HG3 ARG 62 HG3 ARG 62 12.649 8.894 -8.484 441 HD2 ARG 62 HD2 ARG 62 14.123 9.310 -6.819 442 HD3 ARG 62 HD3 ARG 62 15.334 8.207 -7.474 443 HE ARG 62 HE ARG 62 15.188 11.015 -7.887 444 HH11 ARG 62 HH11 ARG 62 16.067 8.023 -9.434 445 HH12 ARG 62 HH12 ARG 62 17.215 8.760 -10.501 446 HH21 ARG 62 HH21 ARG 62 16.698 11.998 -9.287 447 HH22 ARG 62 HH22 ARG 62 17.574 11.021 -10.416 448 H GLU 63 H GLU 63 10.360 5.404 -7.323 449 HA GLU 63 HA GLU 63 11.400 2.680 -7.750 450 HB2 GLU 63 HB2 GLU 63 9.672 1.810 -6.382 451 HB3 GLU 63 HB3 GLU 63 10.342 3.178 -5.504 452 HG2 GLU 63 HG2 GLU 63 8.483 4.570 -6.211 453 HG3 GLU 63 HG3 GLU 63 7.821 3.232 -7.148 454 H CYS 64 H CYS 64 10.591 1.492 -9.384 455 HA CYS 64 HA CYS 64 9.112 2.758 -11.436 456 HB2 CYS 64 HB2 CYS 64 10.308 0.104 -10.970 457 HB3 CYS 64 HB3 CYS 64 8.914 0.107 -12.046 458 H TYR 65 H TYR 65 7.017 2.337 -12.203 459 HA TYR 65 HA TYR 65 5.219 0.737 -10.578 460 HB2 TYR 65 HB2 TYR 65 3.610 2.649 -10.341 461 HB3 TYR 65 HB3 TYR 65 5.079 2.815 -9.387 462 HD1 TYR 65 HD1 TYR 65 3.386 3.958 -12.477 463 HD2 TYR 65 HD2 TYR 65 6.528 4.658 -9.695 464 HE1 TYR 65 HE1 TYR 65 3.790 6.159 -13.496 465 HE2 TYR 65 HE2 TYR 65 6.940 6.862 -10.706 466 HH TYR 65 HH TYR 65 5.752 7.773 -13.675 467 H ILE 66 H ILE 66 3.328 0.142 -11.641 468 HA ILE 66 HA ILE 66 2.970 1.115 -14.386 469 HB ILE 66 HB ILE 66 3.084 -1.799 -13.601 470 HG12 ILE 66 HG12 ILE 66 4.768 -0.309 -15.617 471 HG13 ILE 66 HG13 ILE 66 5.264 -0.552 -13.946 472 HG21 ILE 66 HG21 ILE 66 1.402 -1.787 -15.175 473 HG22 ILE 66 HG22 ILE 66 2.081 -0.412 -16.045 474 HG23 ILE 66 HG23 ILE 66 2.829 -2.003 -16.188 475 HD11 ILE 66 HD11 ILE 66 5.188 -2.967 -14.277 476 HD12 ILE 66 HD12 ILE 66 4.696 -2.719 -15.953 477 HD13 ILE 66 HD13 ILE 66 6.288 -2.186 -15.413 478 H CYS 67 H CYS 67 0.952 1.778 -14.635 479 HA CYS 67 HA CYS 67 -1.241 0.226 -13.502 480 HB2 CYS 67 HB2 CYS 67 -0.388 2.328 -12.054 481 HB3 CYS 67 HB3 CYS 67 -1.490 3.161 -13.146 482 H ALA 68 H ALA 68 -3.386 1.053 -14.311 483 HA ALA 68 HA ALA 68 -3.189 1.465 -17.157 484 HB1 ALA 68 HB1 ALA 68 -5.181 0.497 -15.297 485 HB2 ALA 68 HB2 ALA 68 -5.875 1.617 -16.470 486 HB3 ALA 68 HB3 ALA 68 -5.005 0.187 -17.024 487 H VAL 69 H VAL 69 -3.639 3.275 -18.294 488 HA VAL 69 HA VAL 69 -3.677 5.779 -16.911 489 HB VAL 69 HB VAL 69 -4.162 5.338 -19.856 490 HG11 VAL 69 HG11 VAL 69 -3.358 7.683 -18.171 491 HG12 VAL 69 HG12 VAL 69 -2.956 7.613 -19.889 492 HG13 VAL 69 HG13 VAL 69 -4.643 7.565 -19.373 493 HG21 VAL 69 HG21 VAL 69 -1.757 4.930 -18.258 494 HG22 VAL 69 HG22 VAL 69 -2.118 4.428 -19.910 495 HG23 VAL 69 HG23 VAL 69 -1.525 6.058 -19.594 496 H GLU 70 H GLU 70 -6.019 4.018 -18.923 497 HA GLU 70 HA GLU 70 -8.069 5.992 -18.560 498 HB2 GLU 70 HB2 GLU 70 -9.529 4.314 -19.676 499 HB3 GLU 70 HB3 GLU 70 -8.073 4.691 -20.587 500 HG2 GLU 70 HG2 GLU 70 -7.036 2.637 -19.847 501 HG3 GLU 70 HG3 GLU 70 -8.433 2.269 -18.837 502 H SER 71 H SER 71 -7.205 2.932 -17.073 503 HA SER 71 HA SER 71 -9.607 2.864 -15.456 504 HB2 SER 71 HB2 SER 71 -8.164 0.856 -16.396 505 HB3 SER 71 HB3 SER 71 -7.253 1.101 -14.906 506 HG SER 71 HG SER 71 -9.342 0.952 -13.818 507 H SER 72 H SER 72 -9.369 4.861 -14.339 508 HA SER 72 HA SER 72 -7.138 5.583 -12.801 509 HB2 SER 72 HB2 SER 72 -9.103 6.815 -11.451 510 HB3 SER 72 HB3 SER 72 -8.535 7.383 -13.021 511 HG SER 72 HG SER 72 -10.964 6.747 -12.430 512 H MET 73 H MET 73 -9.889 3.525 -12.099 513 HA MET 73 HA MET 73 -9.764 3.336 -9.351 514 HB2 MET 73 HB2 MET 73 -10.529 1.395 -11.499 515 HB3 MET 73 HB3 MET 73 -10.471 0.857 -9.826 516 HG2 MET 73 HG2 MET 73 -12.176 2.324 -9.175 517 HG3 MET 73 HG3 MET 73 -12.032 3.277 -10.651 518 HE1 MET 73 HE1 MET 73 -15.182 0.944 -9.613 519 HE2 MET 73 HE2 MET 73 -14.055 -0.410 -9.523 520 HE3 MET 73 HE3 MET 73 -13.698 1.093 -8.671 521 H CYS 74 H CYS 74 -7.723 1.796 -11.766 522 HA CYS 74 HA CYS 74 -6.421 -0.102 -10.244 523 HB2 CYS 74 HB2 CYS 74 -6.032 0.042 -12.616 524 HB3 CYS 74 HB3 CYS 74 -5.344 1.655 -12.455 Start of MODEL 2 1 H1 SER 1 H SER 1 3.143 -1.081 0.939 2 HA SER 1 HA SER 1 1.597 0.132 -1.138 3 HB2 SER 1 HB2 SER 1 4.583 -0.030 -1.603 4 HB3 SER 1 HB3 SER 1 3.363 0.579 -2.724 5 HG SER 1 HG SER 1 4.704 1.968 -0.978 6 H ASN 2 H ASN 2 0.691 -1.507 -2.174 7 HA ASN 2 HA ASN 2 1.822 -4.165 -1.962 8 HB2 ASN 2 HB2 ASN 2 -0.707 -3.295 -3.374 9 HB3 ASN 2 HB3 ASN 2 -0.267 -4.937 -2.911 10 HD21 ASN 2 HD21 ASN 2 -2.532 -3.088 -2.201 11 HD22 ASN 2 HD22 ASN 2 -2.583 -3.119 -0.474 12 H ARG 3 H ARG 3 2.317 -5.516 -3.732 13 HA ARG 3 HA ARG 3 3.836 -4.384 -5.755 14 HB2 ARG 3 HB2 ARG 3 3.811 -6.597 -6.810 15 HB3 ARG 3 HB3 ARG 3 4.060 -6.720 -5.074 16 HG2 ARG 3 HG2 ARG 3 1.436 -7.012 -5.072 17 HG3 ARG 3 HG3 ARG 3 1.741 -7.552 -6.725 18 HD2 ARG 3 HD2 ARG 3 3.015 -9.361 -6.038 19 HD3 ARG 3 HD3 ARG 3 3.375 -8.637 -4.470 20 HE ARG 3 HE ARG 3 1.158 -10.301 -5.111 21 HH11 ARG 3 HH11 ARG 3 2.138 -7.604 -3.138 22 HH12 ARG 3 HH12 ARG 3 0.954 -7.906 -1.909 23 HH21 ARG 3 HH21 ARG 3 -0.404 -10.709 -3.499 24 HH22 ARG 3 HH22 ARG 3 -0.491 -9.672 -2.115 25 H TRP 4 H TRP 4 0.439 -5.307 -5.741 26 HA TRP 4 HA TRP 4 -0.161 -5.156 -8.431 27 HB2 TRP 4 HB2 TRP 4 -1.938 -4.133 -6.208 28 HB3 TRP 4 HB3 TRP 4 -2.447 -4.734 -7.784 29 HD1 TRP 4 HD1 TRP 4 -2.238 -5.834 -4.333 30 HE1 TRP 4 HE1 TRP 4 -2.303 -8.401 -4.153 31 HE3 TRP 4 HE3 TRP 4 -1.314 -7.014 -9.220 32 HZ2 TRP 4 HZ2 TRP 4 -2.002 -10.630 -5.857 33 HZ3 TRP 4 HZ3 TRP 4 -1.218 -9.388 -9.862 34 HH2 TRP 4 HH2 TRP 4 -1.554 -11.157 -8.213 35 H ASN 5 H ASN 5 0.256 -2.550 -6.101 36 HA ASN 5 HA ASN 5 -0.744 -0.432 -7.625 37 HB2 ASN 5 HB2 ASN 5 1.477 -0.458 -5.571 38 HB3 ASN 5 HB3 ASN 5 0.733 1.005 -6.211 39 HD21 ASN 5 HD21 ASN 5 0.557 0.961 -3.675 40 HD22 ASN 5 HD22 ASN 5 -0.981 0.435 -3.085 41 H LEU 6 H LEU 6 2.388 -2.022 -7.656 42 HA LEU 6 HA LEU 6 3.443 -0.122 -9.595 43 HB2 LEU 6 HB2 LEU 6 4.686 -2.582 -8.374 44 HB3 LEU 6 HB3 LEU 6 5.512 -1.429 -9.418 45 HG LEU 6 HG LEU 6 6.227 -0.862 -7.277 46 HD11 LEU 6 HD11 LEU 6 5.420 1.321 -6.909 47 HD12 LEU 6 HD12 LEU 6 3.836 0.935 -7.584 48 HD13 LEU 6 HD13 LEU 6 5.245 1.032 -8.642 49 HD21 LEU 6 HD21 LEU 6 4.012 -2.204 -6.395 50 HD22 LEU 6 HD22 LEU 6 3.648 -0.540 -5.943 51 HD23 LEU 6 HD23 LEU 6 5.134 -1.303 -5.376 52 H GLY 7 H GLY 7 1.263 -2.343 -9.961 53 HA2 GLY 7 HA2 GLY 7 0.572 -3.717 -11.665 54 HA3 GLY 7 HA3 GLY 7 1.624 -2.750 -12.688 55 H TYR 8 H TYR 8 2.755 -4.670 -9.980 56 HA TYR 8 HA TYR 8 4.761 -5.936 -11.490 57 HB2 TYR 8 HB2 TYR 8 5.053 -5.706 -9.123 58 HB3 TYR 8 HB3 TYR 8 3.570 -6.595 -8.794 59 HD1 TYR 8 HD1 TYR 8 6.419 -7.376 -11.075 60 HD2 TYR 8 HD2 TYR 8 4.182 -8.513 -7.640 61 HE1 TYR 8 HE1 TYR 8 7.712 -9.464 -10.933 62 HE2 TYR 8 HE2 TYR 8 5.467 -10.604 -7.488 63 HH TYR 8 HH TYR 8 7.379 -11.647 -8.212 64 H GLY 9 H GLY 9 1.603 -7.098 -10.349 65 HA2 GLY 9 HA2 GLY 9 1.751 -9.736 -11.178 66 HA3 GLY 9 HA3 GLY 9 0.265 -8.801 -11.111 67 H ILE 10 H ILE 10 1.090 -6.860 -13.091 68 HA ILE 10 HA ILE 10 0.144 -8.130 -15.409 69 HB ILE 10 HB ILE 10 1.698 -5.546 -15.223 70 HG12 ILE 10 HG12 ILE 10 -1.283 -6.061 -15.152 71 HG13 ILE 10 HG13 ILE 10 -0.295 -5.544 -13.790 72 HG21 ILE 10 HG21 ILE 10 1.565 -6.509 -17.494 73 HG22 ILE 10 HG22 ILE 10 -0.194 -6.505 -17.365 74 HG23 ILE 10 HG23 ILE 10 0.694 -4.982 -17.345 75 HD11 ILE 10 HD11 ILE 10 0.224 -3.656 -15.732 76 HD12 ILE 10 HD12 ILE 10 -1.499 -3.987 -15.907 77 HD13 ILE 10 HD13 ILE 10 -0.854 -3.474 -14.348 78 HA PRO 11 HA PRO 11 3.808 -10.118 -16.888 79 HB2 PRO 11 HB2 PRO 11 2.924 -10.653 -19.398 80 HB3 PRO 11 HB3 PRO 11 2.389 -11.559 -17.978 81 HG2 PRO 11 HG2 PRO 11 1.021 -9.324 -19.426 82 HG3 PRO 11 HG3 PRO 11 0.336 -10.833 -18.793 83 HD2 PRO 11 HD2 PRO 11 0.105 -8.469 -17.493 84 HD3 PRO 11 HD3 PRO 11 0.216 -10.022 -16.638 85 H HIS 12 H HIS 12 5.591 -9.010 -17.374 86 HA HIS 12 HA HIS 12 5.454 -6.987 -19.513 87 HB2 HIS 12 HB2 HIS 12 7.545 -7.029 -17.347 88 HB3 HIS 12 HB3 HIS 12 7.087 -5.695 -18.402 89 HD1 HIS 12 HD1 HIS 12 6.881 -6.458 -15.045 90 HD2 HIS 12 HD2 HIS 12 4.026 -5.252 -17.813 91 HE1 HIS 12 HE1 HIS 12 5.002 -5.479 -13.690 92 H LYS 13 H LYS 13 7.456 -6.693 -20.758 93 HA LYS 13 HA LYS 13 8.925 -9.233 -21.050 94 HB2 LYS 13 HB2 LYS 13 7.384 -8.728 -22.936 95 HB3 LYS 13 HB3 LYS 13 8.266 -7.234 -23.224 96 HG2 LYS 13 HG2 LYS 13 9.207 -8.635 -24.776 97 HG3 LYS 13 HG3 LYS 13 10.329 -8.811 -23.424 98 HD2 LYS 13 HD2 LYS 13 9.978 -11.013 -23.972 99 HD3 LYS 13 HD3 LYS 13 8.716 -10.777 -22.760 100 HE2 LYS 13 HE2 LYS 13 7.660 -11.885 -24.541 101 HE3 LYS 13 HE3 LYS 13 7.180 -10.197 -24.700 102 HZ1 LYS 13 HZ1 LYS 13 8.326 -9.956 -26.609 103 HZ2 LYS 13 HZ2 LYS 13 8.119 -11.631 -26.717 104 HZ3 LYS 13 HZ3 LYS 13 9.576 -10.996 -26.141 105 H GLN 14 H GLN 14 10.944 -9.025 -20.357 106 HA GLN 14 HA GLN 14 12.244 -6.561 -19.936 107 HB2 GLN 14 HB2 GLN 14 12.784 -8.654 -18.720 108 HB3 GLN 14 HB3 GLN 14 13.484 -9.305 -20.195 109 HG2 GLN 14 HG2 GLN 14 15.373 -8.555 -19.195 110 HG3 GLN 14 HG3 GLN 14 14.918 -7.092 -20.067 111 HE21 GLN 14 HE21 GLN 14 16.570 -7.064 -17.840 112 HE22 GLN 14 HE22 GLN 14 15.756 -6.257 -16.548 113 H VAL 15 H VAL 15 13.715 -5.425 -21.115 114 HA VAL 15 HA VAL 15 14.671 -6.499 -23.652 115 HB VAL 15 HB VAL 15 14.032 -4.339 -24.809 116 HG11 VAL 15 HG11 VAL 15 11.810 -5.117 -25.376 117 HG12 VAL 15 HG12 VAL 15 12.904 -6.492 -25.211 118 HG13 VAL 15 HG13 VAL 15 11.762 -6.114 -23.922 119 HG21 VAL 15 HG21 VAL 15 12.521 -2.863 -23.902 120 HG22 VAL 15 HG22 VAL 15 11.858 -4.056 -22.787 121 HG23 VAL 15 HG23 VAL 15 13.432 -3.329 -22.466 122 H LYS 16 H LYS 16 16.579 -5.593 -24.359 123 HA LYS 16 HA LYS 16 18.219 -4.361 -22.411 124 HB2 LYS 16 HB2 LYS 16 18.773 -4.433 -25.374 125 HB3 LYS 16 HB3 LYS 16 19.940 -4.379 -24.059 126 HG2 LYS 16 HG2 LYS 16 18.807 -6.660 -23.400 127 HG3 LYS 16 HG3 LYS 16 18.367 -6.671 -25.110 128 HD2 LYS 16 HD2 LYS 16 20.415 -7.801 -25.036 129 HD3 LYS 16 HD3 LYS 16 20.843 -6.167 -25.551 130 HE2 LYS 16 HE2 LYS 16 21.098 -5.810 -22.940 131 HE3 LYS 16 HE3 LYS 16 21.359 -7.553 -22.970 132 HZ1 LYS 16 HZ1 LYS 16 23.475 -6.813 -23.278 133 HZ2 LYS 16 HZ2 LYS 16 23.004 -5.409 -24.096 134 HZ3 LYS 16 HZ3 LYS 16 22.988 -6.899 -24.896 135 H LEU 17 H LEU 17 18.811 -2.278 -22.089 136 HA LEU 17 HA LEU 17 17.278 -0.245 -23.525 137 HB2 LEU 17 HB2 LEU 17 18.861 -0.197 -20.969 138 HB3 LEU 17 HB3 LEU 17 18.199 1.260 -21.709 139 HG LEU 17 HG LEU 17 16.335 -0.985 -21.128 140 HD11 LEU 17 HD11 LEU 17 16.034 0.033 -18.825 141 HD12 LEU 17 HD12 LEU 17 17.614 0.778 -19.058 142 HD13 LEU 17 HD13 LEU 17 17.459 -0.979 -19.061 143 HD21 LEU 17 HD21 LEU 17 14.877 0.975 -20.560 144 HD22 LEU 17 HD22 LEU 17 15.428 0.918 -22.235 145 HD23 LEU 17 HD23 LEU 17 16.192 2.023 -21.091 146 HA PRO 18 HA PRO 18 20.658 1.340 -25.830 147 HB2 PRO 18 HB2 PRO 18 20.151 4.006 -25.789 148 HB3 PRO 18 HB3 PRO 18 19.190 2.860 -26.730 149 HG2 PRO 18 HG2 PRO 18 18.605 4.077 -24.059 150 HG3 PRO 18 HG3 PRO 18 17.517 3.825 -25.436 151 HD2 PRO 18 HD2 PRO 18 17.554 2.178 -23.287 152 HD3 PRO 18 HD3 PRO 18 17.183 1.602 -24.924 153 H ASN 19 H ASN 19 20.231 2.193 -22.547 154 HA ASN 19 HA ASN 19 22.559 3.864 -22.314 155 HB2 ASN 19 HB2 ASN 19 20.624 2.643 -20.369 156 HB3 ASN 19 HB3 ASN 19 22.126 3.359 -19.791 157 HD21 ASN 19 HD21 ASN 19 20.178 4.576 -18.750 158 HD22 ASN 19 HD22 ASN 19 19.751 6.052 -19.541 159 H GLY 20 H GLY 20 21.934 0.492 -22.336 160 HA2 GLY 20 HA2 GLY 20 23.846 -0.974 -22.675 161 HA3 GLY 20 HA3 GLY 20 24.724 0.003 -21.508 162 H GLN 21 H GLN 21 22.207 0.084 -19.822 163 HA GLN 21 HA GLN 21 22.713 -2.453 -18.464 164 HB2 GLN 21 HB2 GLN 21 21.086 -0.142 -17.418 165 HB3 GLN 21 HB3 GLN 21 21.818 -1.451 -16.500 166 HG2 GLN 21 HG2 GLN 21 24.056 -0.549 -17.293 167 HG3 GLN 21 HG3 GLN 21 23.167 0.880 -17.816 168 HE21 GLN 21 HE21 GLN 21 24.904 -0.426 -15.353 169 HE22 GLN 21 HE22 GLN 21 24.333 0.548 -14.046 170 H LEU 22 H LEU 22 20.780 -3.458 -17.351 171 HA LEU 22 HA LEU 22 18.692 -3.823 -19.343 172 HB2 LEU 22 HB2 LEU 22 19.441 -5.289 -16.829 173 HB3 LEU 22 HB3 LEU 22 17.965 -5.647 -17.724 174 HG LEU 22 HG LEU 22 20.793 -5.946 -18.734 175 HD11 LEU 22 HD11 LEU 22 19.944 -7.625 -17.060 176 HD12 LEU 22 HD12 LEU 22 20.436 -8.283 -18.622 177 HD13 LEU 22 HD13 LEU 22 18.724 -8.075 -18.252 178 HD21 LEU 22 HD21 LEU 22 18.145 -6.454 -20.085 179 HD22 LEU 22 HD22 LEU 22 19.706 -6.994 -20.700 180 HD23 LEU 22 HD23 LEU 22 19.367 -5.270 -20.551 181 H CYS 23 H CYS 23 16.434 -3.828 -18.768 182 HA CYS 23 HA CYS 23 15.551 -1.524 -17.524 183 HB2 CYS 23 HB2 CYS 23 14.136 -4.140 -18.042 184 HB3 CYS 23 HB3 CYS 23 13.310 -2.722 -17.404 185 H LYS 24 H LYS 24 13.946 -1.528 -15.623 186 HA LYS 24 HA LYS 24 15.196 -2.979 -13.385 187 HB2 LYS 24 HB2 LYS 24 14.165 -0.207 -13.677 188 HB3 LYS 24 HB3 LYS 24 13.913 -0.992 -12.123 189 HG2 LYS 24 HG2 LYS 24 16.592 -0.740 -13.471 190 HG3 LYS 24 HG3 LYS 24 15.976 0.386 -12.258 191 HD2 LYS 24 HD2 LYS 24 16.204 -1.117 -10.549 192 HD3 LYS 24 HD3 LYS 24 15.970 -2.514 -11.602 193 HE2 LYS 24 HE2 LYS 24 18.215 -2.677 -11.108 194 HE3 LYS 24 HE3 LYS 24 18.251 -1.772 -12.622 195 HZ1 LYS 24 HZ1 LYS 24 18.994 0.073 -11.603 196 HZ2 LYS 24 HZ2 LYS 24 19.533 -1.011 -10.422 197 HZ3 LYS 24 HZ3 LYS 24 18.078 -0.176 -10.203 198 H GLU 25 H GLU 25 13.775 -3.551 -11.584 199 HA GLU 25 HA GLU 25 11.239 -4.575 -12.582 200 HB2 GLU 25 HB2 GLU 25 12.401 -5.021 -9.838 201 HB3 GLU 25 HB3 GLU 25 11.220 -6.007 -10.689 202 HG2 GLU 25 HG2 GLU 25 13.476 -5.945 -12.338 203 HG3 GLU 25 HG3 GLU 25 14.084 -6.171 -10.699 204 HA PRO 26 HA PRO 26 8.652 -1.617 -10.627 205 HB2 PRO 26 HB2 PRO 26 6.502 -3.147 -9.992 206 HB3 PRO 26 HB3 PRO 26 6.885 -2.670 -11.650 207 HG2 PRO 26 HG2 PRO 26 7.441 -5.254 -10.247 208 HG3 PRO 26 HG3 PRO 26 6.843 -4.982 -11.894 209 HD2 PRO 26 HD2 PRO 26 9.431 -5.572 -11.364 210 HD3 PRO 26 HD3 PRO 26 8.947 -4.534 -12.720 211 H GLY 27 H GLY 27 9.078 -0.767 -8.689 212 HA2 GLY 27 HA2 GLY 27 8.458 -0.742 -6.340 213 HA3 GLY 27 HA3 GLY 27 8.714 -2.481 -6.315 214 H ASP 28 H ASP 28 11.195 -2.331 -7.847 215 HA ASP 28 HA ASP 28 12.962 -1.792 -5.630 216 HB2 ASP 28 HB2 ASP 28 13.279 -3.009 -8.351 217 HB3 ASP 28 HB3 ASP 28 14.706 -2.502 -7.451 218 H SER 29 H SER 29 14.906 -0.483 -5.836 219 HA SER 29 HA SER 29 14.322 2.120 -6.796 220 HB2 SER 29 HB2 SER 29 16.492 2.739 -5.963 221 HB3 SER 29 HB3 SER 29 15.797 1.583 -4.828 222 HG SER 29 HG SER 29 18.047 1.215 -5.464 223 H CYS 30 H CYS 30 15.371 3.325 -8.429 224 HA CYS 30 HA CYS 30 16.690 1.706 -10.507 225 HB2 CYS 30 HB2 CYS 30 14.954 4.056 -11.195 226 HB3 CYS 30 HB3 CYS 30 15.444 2.706 -12.213 227 H SER 31 H SER 31 17.700 3.302 -12.209 228 HA SER 31 HA SER 31 19.322 5.204 -10.663 229 HB2 SER 31 HB2 SER 31 20.035 3.174 -12.480 230 HB3 SER 31 HB3 SER 31 20.348 4.697 -13.311 231 HG SER 31 HG SER 31 21.421 5.284 -11.218 232 H LYS 32 H LYS 32 17.288 4.866 -13.491 233 HA LYS 32 HA LYS 32 16.898 7.722 -13.594 234 HB2 LYS 32 HB2 LYS 32 18.381 6.247 -15.746 235 HB3 LYS 32 HB3 LYS 32 17.404 7.652 -16.146 236 HG2 LYS 32 HG2 LYS 32 18.725 8.926 -14.426 237 HG3 LYS 32 HG3 LYS 32 19.801 7.529 -14.339 238 HD2 LYS 32 HD2 LYS 32 20.433 7.767 -16.618 239 HD3 LYS 32 HD3 LYS 32 19.160 8.952 -16.914 240 HE2 LYS 32 HE2 LYS 32 21.135 10.210 -16.730 241 HE3 LYS 32 HE3 LYS 32 20.323 10.403 -15.178 242 HZ1 LYS 32 HZ1 LYS 32 22.672 9.983 -14.878 243 HZ2 LYS 32 HZ2 LYS 32 22.561 8.535 -15.745 244 HZ3 LYS 32 HZ3 LYS 32 21.772 8.694 -14.258 245 H ARG 33 H ARG 33 15.112 8.339 -14.929 246 HA ARG 33 HA ARG 33 12.928 6.634 -14.828 247 HB2 ARG 33 HB2 ARG 33 13.010 9.187 -15.166 248 HB3 ARG 33 HB3 ARG 33 13.164 8.821 -16.879 249 HG2 ARG 33 HG2 ARG 33 11.034 7.812 -16.957 250 HG3 ARG 33 HG3 ARG 33 10.913 7.763 -15.197 251 HD2 ARG 33 HD2 ARG 33 11.047 10.308 -15.287 252 HD3 ARG 33 HD3 ARG 33 10.756 10.149 -17.017 253 HE ARG 33 HE ARG 33 8.755 8.705 -15.858 254 HH11 ARG 33 HH11 ARG 33 9.901 11.979 -15.577 255 HH12 ARG 33 HH12 ARG 33 8.343 12.631 -15.189 256 HH21 ARG 33 HH21 ARG 33 6.698 9.549 -15.347 257 HH22 ARG 33 HH22 ARG 33 6.522 11.246 -15.058 258 H ASP 34 H ASP 34 15.319 7.074 -17.344 259 HA ASP 34 HA ASP 34 13.927 5.694 -19.397 260 HB2 ASP 34 HB2 ASP 34 16.792 6.480 -18.958 261 HB3 ASP 34 HB3 ASP 34 16.360 5.419 -20.297 262 H GLU 35 H GLU 35 15.767 4.668 -16.659 263 HA GLU 35 HA GLU 35 16.531 2.105 -17.552 264 HB2 GLU 35 HB2 GLU 35 15.938 3.016 -14.731 265 HB3 GLU 35 HB3 GLU 35 16.835 1.573 -15.180 266 HG2 GLU 35 HG2 GLU 35 17.680 4.376 -15.867 267 HG3 GLU 35 HG3 GLU 35 18.255 3.473 -14.466 268 H CYS 36 H CYS 36 13.556 3.369 -16.228 269 HA CYS 36 HA CYS 36 12.342 0.902 -15.570 270 HB2 CYS 36 HB2 CYS 36 11.683 3.463 -15.103 271 HB3 CYS 36 HB3 CYS 36 10.626 3.151 -16.476 272 H CYS 37 H CYS 37 11.359 -0.590 -16.785 273 HA CYS 37 HA CYS 37 11.470 -0.362 -19.652 274 HB2 CYS 37 HB2 CYS 37 11.367 -2.474 -17.760 275 HB3 CYS 37 HB3 CYS 37 9.962 -2.647 -18.809 276 H LYS 38 H LYS 38 9.299 -1.618 -20.615 277 HA LYS 38 HA LYS 38 7.023 0.050 -19.773 278 HB2 LYS 38 HB2 LYS 38 7.657 -0.743 -22.619 279 HB3 LYS 38 HB3 LYS 38 6.364 0.322 -22.081 280 HG2 LYS 38 HG2 LYS 38 8.398 1.682 -21.075 281 HG3 LYS 38 HG3 LYS 38 9.267 0.851 -22.368 282 HD2 LYS 38 HD2 LYS 38 7.517 1.676 -23.957 283 HD3 LYS 38 HD3 LYS 38 6.860 2.647 -22.636 284 HE2 LYS 38 HE2 LYS 38 8.305 4.023 -23.981 285 HE3 LYS 38 HE3 LYS 38 9.065 3.752 -22.414 286 HZ1 LYS 38 HZ1 LYS 38 10.787 2.749 -23.366 287 HZ2 LYS 38 HZ2 LYS 38 10.217 3.334 -24.847 288 HZ3 LYS 38 HZ3 LYS 38 9.806 1.773 -24.341 289 H ALA 39 H ALA 39 5.255 -1.057 -19.252 290 HA ALA 39 HA ALA 39 5.106 -3.816 -19.140 291 HB1 ALA 39 HB1 ALA 39 2.571 -2.303 -19.475 292 HB2 ALA 39 HB2 ALA 39 3.004 -3.543 -18.297 293 HB3 ALA 39 HB3 ALA 39 3.609 -1.896 -18.108 294 H ASP 40 H ASP 40 3.788 -5.335 -20.308 295 HA ASP 40 HA ASP 40 4.225 -5.413 -23.031 296 HB2 ASP 40 HB2 ASP 40 2.250 -6.812 -21.254 297 HB3 ASP 40 HB3 ASP 40 2.222 -7.076 -22.995 298 H ASP 41 H ASP 41 1.432 -4.165 -21.276 299 HA ASP 41 HA ASP 41 0.255 -3.281 -23.820 300 HB2 ASP 41 HB2 ASP 41 -0.959 -4.614 -21.805 301 HB3 ASP 41 HB3 ASP 41 -1.280 -2.955 -21.309 302 H GLN 42 H GLN 42 2.422 -1.833 -23.117 303 HA GLN 42 HA GLN 42 2.150 0.312 -21.406 304 HB2 GLN 42 HB2 GLN 42 3.705 1.515 -22.994 305 HB3 GLN 42 HB3 GLN 42 4.258 -0.057 -22.434 306 HG2 GLN 42 HG2 GLN 42 3.994 -1.039 -24.486 307 HG3 GLN 42 HG3 GLN 42 2.758 0.109 -24.997 308 HE21 GLN 42 HE21 GLN 42 5.757 -0.858 -25.646 309 HE22 GLN 42 HE22 GLN 42 6.449 0.610 -26.239 310 H LYS 43 H LYS 43 0.696 -0.203 -24.527 311 HA LYS 43 HA LYS 43 -0.020 2.384 -25.233 312 HB2 LYS 43 HB2 LYS 43 -1.418 -0.249 -25.685 313 HB3 LYS 43 HB3 LYS 43 -1.994 1.259 -26.381 314 HG2 LYS 43 HG2 LYS 43 -0.101 1.484 -27.741 315 HG3 LYS 43 HG3 LYS 43 0.808 0.285 -26.818 316 HD2 LYS 43 HD2 LYS 43 -0.263 -1.489 -27.806 317 HD3 LYS 43 HD3 LYS 43 -1.723 -0.556 -28.146 318 HE2 LYS 43 HE2 LYS 43 -0.662 -0.973 -30.230 319 HE3 LYS 43 HE3 LYS 43 -0.388 0.726 -29.844 320 HZ1 LYS 43 HZ1 LYS 43 1.565 -1.469 -29.405 321 HZ2 LYS 43 HZ2 LYS 43 1.825 0.169 -29.077 322 HZ3 LYS 43 HZ3 LYS 43 1.618 -0.351 -30.674 323 H THR 44 H THR 44 -1.382 0.254 -22.830 324 HA THR 44 HA THR 44 -3.474 2.244 -22.253 325 HB THR 44 HB THR 44 -4.491 0.362 -20.866 326 HG1 THR 44 HG1 THR 44 -2.663 -1.179 -22.423 327 HG21 THR 44 HG21 THR 44 -5.699 0.747 -22.780 328 HG22 THR 44 HG22 THR 44 -5.154 -0.903 -23.090 329 HG23 THR 44 HG23 THR 44 -4.319 0.458 -23.838 330 H TYR 45 H TYR 45 -0.924 0.275 -20.812 331 HA TYR 45 HA TYR 45 -1.270 1.640 -18.249 332 HB2 TYR 45 HB2 TYR 45 0.739 -0.524 -18.847 333 HB3 TYR 45 HB3 TYR 45 0.080 -0.047 -17.285 334 HD1 TYR 45 HD1 TYR 45 -2.836 0.064 -18.070 335 HD2 TYR 45 HD2 TYR 45 0.191 -2.819 -18.860 336 HE1 TYR 45 HE1 TYR 45 -4.557 -1.684 -18.260 337 HE2 TYR 45 HE2 TYR 45 -1.520 -4.574 -19.052 338 HH TYR 45 HH TYR 45 -3.796 -4.899 -19.374 339 H SER 46 H SER 46 0.245 2.973 -17.351 340 HA SER 46 HA SER 46 2.343 3.919 -19.171 341 HB2 SER 46 HB2 SER 46 1.260 5.844 -18.589 342 HB3 SER 46 HB3 SER 46 0.690 5.185 -17.055 343 HG SER 46 HG SER 46 2.928 6.647 -17.600 344 H SER 47 H SER 47 4.405 3.473 -18.784 345 HA SER 47 HA SER 47 5.132 2.407 -16.142 346 HB2 SER 47 HB2 SER 47 6.899 1.196 -17.202 347 HB3 SER 47 HB3 SER 47 5.462 0.960 -18.197 348 HG SER 47 HG SER 47 6.281 2.263 -19.723 349 H GLY 48 H GLY 48 6.896 3.195 -15.026 350 HA2 GLY 48 HA2 GLY 48 8.832 4.958 -16.002 351 HA3 GLY 48 HA3 GLY 48 7.512 5.929 -15.365 352 H CYS 49 H CYS 49 10.167 5.909 -14.359 353 HA CYS 49 HA CYS 49 9.693 4.783 -11.677 354 HB2 CYS 49 HB2 CYS 49 11.551 3.716 -13.128 355 HB3 CYS 49 HB3 CYS 49 12.448 5.197 -12.808 356 H ALA 50 H ALA 50 9.145 6.464 -10.438 357 HA ALA 50 HA ALA 50 10.868 8.853 -10.525 358 HB1 ALA 50 HB1 ALA 50 8.726 10.067 -9.728 359 HB2 ALA 50 HB2 ALA 50 8.904 9.678 -11.440 360 HB3 ALA 50 HB3 ALA 50 7.883 8.675 -10.410 361 H GLN 51 H GLN 51 11.133 9.973 -8.523 362 HA GLN 51 HA GLN 51 11.586 8.320 -6.319 363 HB2 GLN 51 HB2 GLN 51 11.946 10.406 -5.055 364 HB3 GLN 51 HB3 GLN 51 12.769 10.421 -6.608 365 HG2 GLN 51 HG2 GLN 51 11.867 12.531 -6.517 366 HG3 GLN 51 HG3 GLN 51 10.652 11.651 -7.441 367 HE21 GLN 51 HE21 GLN 51 8.937 12.923 -6.903 368 HE22 GLN 51 HE22 GLN 51 8.290 13.031 -5.305 369 H THR 52 H THR 52 10.477 7.908 -4.448 370 HA THR 52 HA THR 52 7.874 9.144 -4.020 371 HB THR 52 HB THR 52 6.761 6.946 -3.708 372 HG1 THR 52 HG1 THR 52 8.854 5.798 -3.498 373 HG21 THR 52 HG21 THR 52 7.920 7.414 -6.458 374 HG22 THR 52 HG22 THR 52 6.460 8.154 -5.801 375 HG23 THR 52 HG23 THR 52 6.511 6.417 -6.099 376 H TRP 53 H TRP 53 7.564 9.547 -1.927 377 HA TRP 53 HA TRP 53 9.453 9.116 0.035 378 HB2 TRP 53 HB2 TRP 53 7.731 10.768 0.343 379 HB3 TRP 53 HB3 TRP 53 6.472 9.536 0.301 380 HD1 TRP 53 HD1 TRP 53 5.786 8.481 2.561 381 HE1 TRP 53 HE1 TRP 53 6.622 8.688 4.987 382 HE3 TRP 53 HE3 TRP 53 10.057 11.163 1.722 383 HZ2 TRP 53 HZ2 TRP 53 8.802 9.839 6.363 384 HZ3 TRP 53 HZ3 TRP 53 11.460 11.778 3.646 385 HH2 TRP 53 HH2 TRP 53 10.845 11.129 5.918 386 H SER 54 H SER 54 10.218 7.235 0.733 387 HA SER 54 HA SER 54 8.370 4.969 1.025 388 HB2 SER 54 HB2 SER 54 10.442 4.743 -0.429 389 HB3 SER 54 HB3 SER 54 11.389 4.844 1.055 390 HG SER 54 HG SER 54 10.059 2.737 0.023 391 H ALA 55 H ALA 55 7.597 4.751 3.014 392 HA ALA 55 HA ALA 55 8.823 5.866 5.320 393 HB1 ALA 55 HB1 ALA 55 6.583 3.863 5.076 394 HB2 ALA 55 HB2 ALA 55 7.051 4.686 6.564 395 HB3 ALA 55 HB3 ALA 55 6.422 5.615 5.202 396 H MET 56 H MET 56 8.760 2.647 3.900 397 HA MET 56 HA MET 56 9.945 1.303 6.102 398 HB2 MET 56 HB2 MET 56 9.584 0.642 3.195 399 HB3 MET 56 HB3 MET 56 10.537 -0.403 4.241 400 HG2 MET 56 HG2 MET 56 8.543 -0.551 5.750 401 HG3 MET 56 HG3 MET 56 7.626 0.291 4.503 402 HE1 MET 56 HE1 MET 56 9.289 -3.107 5.592 403 HE2 MET 56 HE2 MET 56 7.613 -2.752 6.017 404 HE3 MET 56 HE3 MET 56 7.979 -4.065 4.896 405 H GLU 57 H GLU 57 11.292 2.461 3.013 406 HA GLU 57 HA GLU 57 13.974 1.795 3.683 407 HB2 GLU 57 HB2 GLU 57 13.063 3.834 1.652 408 HB3 GLU 57 HB3 GLU 57 14.597 2.977 1.684 409 HG2 GLU 57 HG2 GLU 57 11.927 1.639 1.322 410 HG3 GLU 57 HG3 GLU 57 12.975 2.140 -0.005 411 H GLY 58 H GLY 58 11.983 4.647 4.106 412 HA2 GLY 58 HA2 GLY 58 12.307 6.432 5.541 413 HA3 GLY 58 HA3 GLY 58 13.833 5.713 6.031 414 H GLY 59 H GLY 59 12.961 6.454 2.706 415 HA2 GLY 59 HA2 GLY 59 14.221 8.989 2.580 416 HA3 GLY 59 HA3 GLY 59 15.357 7.736 2.099 417 H PHE 60 H PHE 60 13.966 9.964 0.616 418 HA PHE 60 HA PHE 60 12.056 8.972 -1.150 419 HB2 PHE 60 HB2 PHE 60 14.093 11.172 -1.355 420 HB3 PHE 60 HB3 PHE 60 13.065 10.774 -2.729 421 HD1 PHE 60 HD1 PHE 60 13.383 12.841 0.039 422 HD2 PHE 60 HD2 PHE 60 10.483 10.550 -2.072 423 HE1 PHE 60 HE1 PHE 60 11.595 14.246 0.978 424 HE2 PHE 60 HE2 PHE 60 8.690 11.952 -1.137 425 HZ PHE 60 HZ PHE 60 9.245 13.802 0.392 426 H VAL 61 H VAL 61 12.152 7.426 -2.625 427 HA VAL 61 HA VAL 61 14.653 6.991 -4.094 428 HB VAL 61 HB VAL 61 14.202 4.494 -3.946 429 HG11 VAL 61 HG11 VAL 61 15.771 6.131 -2.450 430 HG12 VAL 61 HG12 VAL 61 14.852 5.296 -1.198 431 HG13 VAL 61 HG13 VAL 61 15.795 4.370 -2.367 432 HG21 VAL 61 HG21 VAL 61 11.893 5.274 -2.702 433 HG22 VAL 61 HG22 VAL 61 12.582 3.652 -2.646 434 HG23 VAL 61 HG23 VAL 61 12.908 4.795 -1.342 435 H ARG 62 H ARG 62 14.408 6.254 -6.188 436 HA ARG 62 HA ARG 62 11.754 6.609 -7.310 437 HB2 ARG 62 HB2 ARG 62 14.338 6.018 -8.757 438 HB3 ARG 62 HB3 ARG 62 12.847 6.628 -9.461 439 HG2 ARG 62 HG2 ARG 62 13.244 8.582 -7.731 440 HG3 ARG 62 HG3 ARG 62 14.917 8.041 -7.873 441 HD2 ARG 62 HD2 ARG 62 14.414 8.134 -10.437 442 HD3 ARG 62 HD3 ARG 62 13.118 9.220 -9.942 443 HE ARG 62 HE ARG 62 15.414 10.124 -8.698 444 HH11 ARG 62 HH11 ARG 62 14.286 9.652 -11.958 445 HH12 ARG 62 HH12 ARG 62 15.240 10.940 -12.613 446 HH21 ARG 62 HH21 ARG 62 16.675 11.825 -9.551 447 HH22 ARG 62 HH22 ARG 62 16.599 12.176 -11.243 448 H GLU 63 H GLU 63 10.427 4.919 -7.349 449 HA GLU 63 HA GLU 63 11.560 2.264 -7.936 450 HB2 GLU 63 HB2 GLU 63 9.596 1.331 -6.741 451 HB3 GLU 63 HB3 GLU 63 10.629 2.310 -5.709 452 HG2 GLU 63 HG2 GLU 63 9.075 4.190 -5.953 453 HG3 GLU 63 HG3 GLU 63 8.030 3.180 -6.951 454 H CYS 64 H CYS 64 10.771 1.131 -9.621 455 HA CYS 64 HA CYS 64 9.306 2.423 -11.637 456 HB2 CYS 64 HB2 CYS 64 10.299 -0.334 -11.160 457 HB3 CYS 64 HB3 CYS 64 9.013 -0.150 -12.348 458 H TYR 65 H TYR 65 7.189 2.365 -12.250 459 HA TYR 65 HA TYR 65 5.318 0.762 -10.667 460 HB2 TYR 65 HB2 TYR 65 3.803 2.748 -10.483 461 HB3 TYR 65 HB3 TYR 65 5.285 2.884 -9.543 462 HD1 TYR 65 HD1 TYR 65 3.666 3.960 -12.705 463 HD2 TYR 65 HD2 TYR 65 6.764 4.684 -9.880 464 HE1 TYR 65 HE1 TYR 65 4.155 6.106 -13.802 465 HE2 TYR 65 HE2 TYR 65 7.261 6.833 -10.968 466 HH TYR 65 HH TYR 65 6.261 7.643 -13.977 467 H ILE 66 H ILE 66 3.419 0.203 -11.725 468 HA ILE 66 HA ILE 66 3.097 1.124 -14.491 469 HB ILE 66 HB ILE 66 3.117 -1.773 -13.637 470 HG12 ILE 66 HG12 ILE 66 4.810 -0.507 -15.776 471 HG13 ILE 66 HG13 ILE 66 5.313 -0.475 -14.090 472 HG21 ILE 66 HG21 ILE 66 2.766 -2.143 -16.131 473 HG22 ILE 66 HG22 ILE 66 1.372 -1.600 -15.197 474 HG23 ILE 66 HG23 ILE 66 2.266 -0.454 -16.197 475 HD11 ILE 66 HD11 ILE 66 5.034 -2.799 -15.937 476 HD12 ILE 66 HD12 ILE 66 6.389 -2.339 -14.905 477 HD13 ILE 66 HD13 ILE 66 4.934 -3.033 -14.192 478 H CYS 67 H CYS 67 1.136 1.977 -14.606 479 HA CYS 67 HA CYS 67 -1.132 0.479 -13.534 480 HB2 CYS 67 HB2 CYS 67 -0.169 3.057 -12.527 481 HB3 CYS 67 HB3 CYS 67 -1.874 3.068 -12.970 482 H ALA 68 H ALA 68 -3.215 1.260 -14.385 483 HA ALA 68 HA ALA 68 -2.977 1.853 -17.194 484 HB1 ALA 68 HB1 ALA 68 -4.598 0.202 -16.308 485 HB2 ALA 68 HB2 ALA 68 -5.481 1.526 -15.548 486 HB3 ALA 68 HB3 ALA 68 -5.346 1.451 -17.304 487 H VAL 69 H VAL 69 -3.879 3.627 -18.283 488 HA VAL 69 HA VAL 69 -3.739 6.103 -16.826 489 HB VAL 69 HB VAL 69 -4.588 5.734 -19.697 490 HG11 VAL 69 HG11 VAL 69 -3.236 8.053 -19.615 491 HG12 VAL 69 HG12 VAL 69 -4.978 7.936 -19.361 492 HG13 VAL 69 HG13 VAL 69 -3.888 8.029 -17.977 493 HG21 VAL 69 HG21 VAL 69 -2.551 4.882 -20.049 494 HG22 VAL 69 HG22 VAL 69 -1.951 6.512 -19.744 495 HG23 VAL 69 HG23 VAL 69 -1.991 5.328 -18.438 496 H GLU 70 H GLU 70 -6.274 4.335 -18.580 497 HA GLU 70 HA GLU 70 -8.314 6.236 -17.945 498 HB2 GLU 70 HB2 GLU 70 -9.859 4.481 -18.823 499 HB3 GLU 70 HB3 GLU 70 -8.567 4.915 -19.933 500 HG2 GLU 70 HG2 GLU 70 -7.353 2.916 -19.390 501 HG3 GLU 70 HG3 GLU 70 -8.522 2.505 -18.135 502 H SER 71 H SER 71 -7.174 3.226 -16.543 503 HA SER 71 HA SER 71 -9.271 3.348 -14.500 504 HB2 SER 71 HB2 SER 71 -7.472 1.192 -15.522 505 HB3 SER 71 HB3 SER 71 -8.054 1.082 -13.860 506 HG SER 71 HG SER 71 -9.387 0.082 -15.574 507 H SER 72 H SER 72 -8.868 4.016 -12.492 508 HA SER 72 HA SER 72 -6.157 4.824 -11.814 509 HB2 SER 72 HB2 SER 72 -8.885 5.469 -10.809 510 HB3 SER 72 HB3 SER 72 -7.547 5.608 -9.669 511 HG SER 72 HG SER 72 -6.717 7.224 -10.806 512 H MET 73 H MET 73 -8.626 2.555 -10.758 513 HA MET 73 HA MET 73 -6.969 1.621 -8.557 514 HB2 MET 73 HB2 MET 73 -9.755 1.003 -9.494 515 HB3 MET 73 HB3 MET 73 -8.948 -0.035 -8.326 516 HG2 MET 73 HG2 MET 73 -9.091 2.904 -7.842 517 HG3 MET 73 HG3 MET 73 -10.497 1.888 -7.522 518 HE1 MET 73 HE1 MET 73 -10.713 2.383 -5.126 519 HE2 MET 73 HE2 MET 73 -9.483 2.176 -3.880 520 HE3 MET 73 HE3 MET 73 -9.359 3.508 -5.031 521 H CYS 74 H CYS 74 -5.554 1.211 -10.766 522 HA CYS 74 HA CYS 74 -5.942 -1.059 -12.291 523 HB2 CYS 74 HB2 CYS 74 -3.579 -1.032 -12.734 524 HB3 CYS 74 HB3 CYS 74 -4.123 0.637 -12.596 Start of MODEL 3 1 H1 SER 1 H SER 1 2.983 0.785 0.420 2 HA SER 1 HA SER 1 0.606 0.446 -1.287 3 HB2 SER 1 HB2 SER 1 1.907 1.205 -3.160 4 HB3 SER 1 HB3 SER 1 2.139 2.364 -1.852 5 HG SER 1 HG SER 1 4.144 1.913 -2.655 6 H ASN 2 H ASN 2 0.249 -1.504 -2.112 7 HA ASN 2 HA ASN 2 2.137 -3.633 -1.629 8 HB2 ASN 2 HB2 ASN 2 0.341 -5.051 -2.703 9 HB3 ASN 2 HB3 ASN 2 -0.162 -4.171 -1.263 10 HD21 ASN 2 HD21 ASN 2 -2.319 -4.220 -1.828 11 HD22 ASN 2 HD22 ASN 2 -2.964 -3.268 -3.116 12 H ARG 3 H ARG 3 2.224 -5.322 -3.562 13 HA ARG 3 HA ARG 3 3.867 -4.167 -5.537 14 HB2 ARG 3 HB2 ARG 3 2.499 -6.864 -5.560 15 HB3 ARG 3 HB3 ARG 3 3.846 -6.387 -6.583 16 HG2 ARG 3 HG2 ARG 3 3.955 -6.504 -3.577 17 HG3 ARG 3 HG3 ARG 3 4.495 -7.795 -4.652 18 HD2 ARG 3 HD2 ARG 3 6.226 -6.461 -5.544 19 HD3 ARG 3 HD3 ARG 3 5.554 -4.989 -4.844 20 HE ARG 3 HE ARG 3 7.269 -6.887 -3.553 21 HH11 ARG 3 HH11 ARG 3 4.790 -4.495 -3.050 22 HH12 ARG 3 HH12 ARG 3 5.259 -4.162 -1.416 23 HH21 ARG 3 HH21 ARG 3 7.897 -6.457 -1.403 24 HH22 ARG 3 HH22 ARG 3 7.028 -5.278 -0.481 25 H TRP 4 H TRP 4 0.470 -5.098 -5.527 26 HA TRP 4 HA TRP 4 -0.121 -4.968 -8.220 27 HB2 TRP 4 HB2 TRP 4 -1.904 -3.928 -6.010 28 HB3 TRP 4 HB3 TRP 4 -2.410 -4.542 -7.583 29 HD1 TRP 4 HD1 TRP 4 -2.248 -5.615 -4.131 30 HE1 TRP 4 HE1 TRP 4 -2.298 -8.181 -3.927 31 HE3 TRP 4 HE3 TRP 4 -1.220 -6.833 -8.988 32 HZ2 TRP 4 HZ2 TRP 4 -1.948 -10.423 -5.605 33 HZ3 TRP 4 HZ3 TRP 4 -1.095 -9.212 -9.606 34 HH2 TRP 4 HH2 TRP 4 -1.451 -10.968 -7.948 35 H ASN 5 H ASN 5 0.313 -2.347 -5.918 36 HA ASN 5 HA ASN 5 -0.691 -0.240 -7.462 37 HB2 ASN 5 HB2 ASN 5 1.399 -0.364 -5.296 38 HB3 ASN 5 HB3 ASN 5 0.967 1.155 -6.075 39 HD21 ASN 5 HD21 ASN 5 -1.630 1.182 -6.320 40 HD22 ASN 5 HD22 ASN 5 -2.436 0.989 -4.805 41 H LEU 6 H LEU 6 2.440 -1.831 -7.466 42 HA LEU 6 HA LEU 6 3.503 0.050 -9.416 43 HB2 LEU 6 HB2 LEU 6 4.743 -2.397 -8.164 44 HB3 LEU 6 HB3 LEU 6 5.573 -1.255 -9.219 45 HG LEU 6 HG LEU 6 6.278 -0.664 -7.082 46 HD11 LEU 6 HD11 LEU 6 5.393 1.238 -8.422 47 HD12 LEU 6 HD12 LEU 6 5.383 1.516 -6.681 48 HD13 LEU 6 HD13 LEU 6 3.884 1.111 -7.518 49 HD21 LEU 6 HD21 LEU 6 3.999 -1.965 -6.217 50 HD22 LEU 6 HD22 LEU 6 3.741 -0.292 -5.719 51 HD23 LEU 6 HD23 LEU 6 5.190 -1.155 -5.198 52 H GLY 7 H GLY 7 1.327 -2.177 -9.771 53 HA2 GLY 7 HA2 GLY 7 0.658 -3.596 -11.447 54 HA3 GLY 7 HA3 GLY 7 1.666 -2.603 -12.488 55 H TYR 8 H TYR 8 2.875 -4.497 -9.792 56 HA TYR 8 HA TYR 8 4.899 -5.707 -11.327 57 HB2 TYR 8 HB2 TYR 8 5.171 -5.450 -8.942 58 HB3 TYR 8 HB3 TYR 8 3.757 -6.450 -8.627 59 HD1 TYR 8 HD1 TYR 8 6.623 -7.003 -10.950 60 HD2 TYR 8 HD2 TYR 8 4.533 -8.317 -7.483 61 HE1 TYR 8 HE1 TYR 8 8.061 -8.995 -10.845 62 HE2 TYR 8 HE2 TYR 8 5.968 -10.311 -7.368 63 HH TYR 8 HH TYR 8 8.557 -10.777 -8.343 64 H GLY 9 H GLY 9 1.799 -6.969 -10.127 65 HA2 GLY 9 HA2 GLY 9 2.008 -9.595 -10.975 66 HA3 GLY 9 HA3 GLY 9 0.496 -8.705 -10.876 67 H ILE 10 H ILE 10 1.021 -6.759 -12.847 68 HA ILE 10 HA ILE 10 0.117 -8.012 -15.145 69 HB ILE 10 HB ILE 10 1.684 -5.433 -15.005 70 HG12 ILE 10 HG12 ILE 10 -1.304 -5.900 -14.895 71 HG13 ILE 10 HG13 ILE 10 -0.295 -5.483 -13.514 72 HG21 ILE 10 HG21 ILE 10 1.481 -6.394 -17.271 73 HG22 ILE 10 HG22 ILE 10 -0.273 -6.385 -17.090 74 HG23 ILE 10 HG23 ILE 10 0.620 -4.865 -17.096 75 HD11 ILE 10 HD11 ILE 10 -1.466 -3.537 -14.338 76 HD12 ILE 10 HD12 ILE 10 0.270 -3.357 -14.588 77 HD13 ILE 10 HD13 ILE 10 -0.778 -3.777 -15.944 78 HA PRO 11 HA PRO 11 3.726 -10.011 -16.736 79 HB2 PRO 11 HB2 PRO 11 2.764 -10.544 -19.217 80 HB3 PRO 11 HB3 PRO 11 2.270 -11.448 -17.782 81 HG2 PRO 11 HG2 PRO 11 0.865 -9.209 -19.187 82 HG3 PRO 11 HG3 PRO 11 0.194 -10.715 -18.533 83 HD2 PRO 11 HD2 PRO 11 0.012 -8.351 -17.225 84 HD3 PRO 11 HD3 PRO 11 0.145 -9.903 -16.375 85 H HIS 12 H HIS 12 5.508 -8.956 -17.321 86 HA HIS 12 HA HIS 12 5.309 -6.923 -19.445 87 HB2 HIS 12 HB2 HIS 12 7.456 -6.959 -17.334 88 HB3 HIS 12 HB3 HIS 12 6.982 -5.631 -18.388 89 HD1 HIS 12 HD1 HIS 12 6.865 -6.332 -15.024 90 HD2 HIS 12 HD2 HIS 12 3.924 -5.194 -17.729 91 HE1 HIS 12 HE1 HIS 12 5.021 -5.337 -13.633 92 H LYS 13 H LYS 13 7.275 -6.642 -20.750 93 HA LYS 13 HA LYS 13 8.634 -9.221 -21.159 94 HB2 LYS 13 HB2 LYS 13 8.973 -8.480 -23.493 95 HB3 LYS 13 HB3 LYS 13 7.272 -8.581 -23.060 96 HG2 LYS 13 HG2 LYS 13 7.340 -6.104 -22.639 97 HG3 LYS 13 HG3 LYS 13 8.952 -6.107 -23.360 98 HD2 LYS 13 HD2 LYS 13 7.802 -7.311 -25.342 99 HD3 LYS 13 HD3 LYS 13 6.306 -6.689 -24.641 100 HE2 LYS 13 HE2 LYS 13 7.714 -4.436 -24.611 101 HE3 LYS 13 HE3 LYS 13 8.551 -5.241 -25.938 102 HZ1 LYS 13 HZ1 LYS 13 5.847 -5.589 -26.401 103 HZ2 LYS 13 HZ2 LYS 13 6.909 -4.583 -27.249 104 HZ3 LYS 13 HZ3 LYS 13 6.024 -3.970 -25.944 105 H GLN 14 H GLN 14 10.693 -9.284 -20.576 106 HA GLN 14 HA GLN 14 12.154 -6.905 -19.935 107 HB2 GLN 14 HB2 GLN 14 12.286 -9.416 -19.008 108 HB3 GLN 14 HB3 GLN 14 13.573 -9.499 -20.202 109 HG2 GLN 14 HG2 GLN 14 13.420 -7.395 -18.061 110 HG3 GLN 14 HG3 GLN 14 14.304 -8.910 -17.889 111 HE21 GLN 14 HE21 GLN 14 15.179 -6.069 -17.945 112 HE22 GLN 14 HE22 GLN 14 16.399 -6.002 -19.164 113 H VAL 15 H VAL 15 13.848 -5.966 -21.005 114 HA VAL 15 HA VAL 15 14.865 -7.140 -23.457 115 HB VAL 15 HB VAL 15 14.441 -4.989 -24.723 116 HG11 VAL 15 HG11 VAL 15 12.563 -5.869 -25.675 117 HG12 VAL 15 HG12 VAL 15 13.084 -7.263 -24.726 118 HG13 VAL 15 HG13 VAL 15 11.802 -6.211 -24.122 119 HG21 VAL 15 HG21 VAL 15 12.467 -4.570 -22.481 120 HG22 VAL 15 HG22 VAL 15 13.864 -3.559 -22.852 121 HG23 VAL 15 HG23 VAL 15 12.511 -3.644 -23.981 122 H LYS 16 H LYS 16 16.677 -5.896 -24.358 123 HA LYS 16 HA LYS 16 18.274 -4.760 -22.213 124 HB2 LYS 16 HB2 LYS 16 18.969 -5.456 -25.072 125 HB3 LYS 16 HB3 LYS 16 20.117 -4.850 -23.883 126 HG2 LYS 16 HG2 LYS 16 20.088 -6.812 -22.662 127 HG3 LYS 16 HG3 LYS 16 18.527 -7.315 -23.313 128 HD2 LYS 16 HD2 LYS 16 20.131 -8.709 -24.342 129 HD3 LYS 16 HD3 LYS 16 19.686 -7.512 -25.561 130 HE2 LYS 16 HE2 LYS 16 21.690 -6.222 -25.032 131 HE3 LYS 16 HE3 LYS 16 22.126 -7.393 -23.787 132 HZ1 LYS 16 HZ1 LYS 16 21.872 -8.996 -25.885 133 HZ2 LYS 16 HZ2 LYS 16 23.332 -8.254 -25.464 134 HZ3 LYS 16 HZ3 LYS 16 22.363 -7.584 -26.677 135 H LEU 17 H LEU 17 19.000 -2.684 -22.103 136 HA LEU 17 HA LEU 17 17.686 -0.766 -23.876 137 HB2 LEU 17 HB2 LEU 17 19.094 -0.486 -21.233 138 HB3 LEU 17 HB3 LEU 17 18.564 0.899 -22.186 139 HG LEU 17 HG LEU 17 16.541 -1.165 -21.491 140 HD11 LEU 17 HD11 LEU 17 16.141 0.038 -19.330 141 HD12 LEU 17 HD12 LEU 17 17.722 0.794 -19.534 142 HD13 LEU 17 HD13 LEU 17 17.596 -0.958 -19.371 143 HD21 LEU 17 HD21 LEU 17 15.047 0.634 -21.597 144 HD22 LEU 17 HD22 LEU 17 16.194 0.937 -22.903 145 HD23 LEU 17 HD23 LEU 17 16.329 1.827 -21.386 146 HA PRO 18 HA PRO 18 21.303 0.357 -26.093 147 HB2 PRO 18 HB2 PRO 18 20.945 3.031 -26.408 148 HB3 PRO 18 HB3 PRO 18 19.988 1.825 -27.275 149 HG2 PRO 18 HG2 PRO 18 19.290 3.387 -24.818 150 HG3 PRO 18 HG3 PRO 18 18.286 3.020 -26.233 151 HD2 PRO 18 HD2 PRO 18 18.082 1.648 -23.908 152 HD3 PRO 18 HD3 PRO 18 17.793 0.895 -25.489 153 H ASN 19 H ASN 19 20.695 1.636 -22.977 154 HA ASN 19 HA ASN 19 23.081 3.217 -22.765 155 HB2 ASN 19 HB2 ASN 19 20.963 2.304 -20.848 156 HB3 ASN 19 HB3 ASN 19 22.461 2.996 -20.232 157 HD21 ASN 19 HD21 ASN 19 19.957 4.135 -19.817 158 HD22 ASN 19 HD22 ASN 19 19.895 5.650 -20.646 159 H GLY 20 H GLY 20 22.318 -0.109 -22.480 160 HA2 GLY 20 HA2 GLY 20 24.192 -1.664 -22.525 161 HA3 GLY 20 HA3 GLY 20 25.017 -0.605 -21.390 162 H GLN 21 H GLN 21 22.389 -0.266 -19.923 163 HA GLN 21 HA GLN 21 22.678 -2.680 -18.297 164 HB2 GLN 21 HB2 GLN 21 21.137 -0.172 -17.626 165 HB3 GLN 21 HB3 GLN 21 21.632 -1.447 -16.521 166 HG2 GLN 21 HG2 GLN 21 24.035 -0.775 -17.334 167 HG3 GLN 21 HG3 GLN 21 23.232 0.745 -17.732 168 HE21 GLN 21 HE21 GLN 21 25.278 0.174 -15.730 169 HE22 GLN 21 HE22 GLN 21 24.612 0.662 -14.213 170 H LEU 22 H LEU 22 20.625 -3.495 -17.247 171 HA LEU 22 HA LEU 22 18.645 -3.912 -19.345 172 HB2 LEU 22 HB2 LEU 22 19.198 -5.279 -16.727 173 HB3 LEU 22 HB3 LEU 22 17.770 -5.633 -17.696 174 HG LEU 22 HG LEU 22 20.642 -6.074 -18.506 175 HD11 LEU 22 HD11 LEU 22 20.241 -8.365 -18.255 176 HD12 LEU 22 HD12 LEU 22 18.496 -8.140 -18.146 177 HD13 LEU 22 HD13 LEU 22 19.535 -7.631 -16.815 178 HD21 LEU 22 HD21 LEU 22 19.364 -5.428 -20.440 179 HD22 LEU 22 HD22 LEU 22 18.072 -6.546 -20.009 180 HD23 LEU 22 HD23 LEU 22 19.650 -7.167 -20.495 181 H CYS 23 H CYS 23 16.353 -3.842 -18.858 182 HA CYS 23 HA CYS 23 15.483 -1.442 -17.814 183 HB2 CYS 23 HB2 CYS 23 13.887 -4.009 -17.933 184 HB3 CYS 23 HB3 CYS 23 13.232 -2.376 -17.870 185 H LYS 24 H LYS 24 14.049 -1.066 -15.936 186 HA LYS 24 HA LYS 24 15.183 -2.346 -13.559 187 HB2 LYS 24 HB2 LYS 24 14.145 0.318 -14.200 188 HB3 LYS 24 HB3 LYS 24 13.570 -0.302 -12.658 189 HG2 LYS 24 HG2 LYS 24 16.468 -0.141 -13.460 190 HG3 LYS 24 HG3 LYS 24 15.624 1.056 -12.475 191 HD2 LYS 24 HD2 LYS 24 15.418 -0.384 -10.672 192 HD3 LYS 24 HD3 LYS 24 15.594 -1.826 -11.675 193 HE2 LYS 24 HE2 LYS 24 17.821 0.150 -11.225 194 HE3 LYS 24 HE3 LYS 24 17.558 -1.253 -10.190 195 HZ1 LYS 24 HZ1 LYS 24 19.049 -2.073 -11.699 196 HZ2 LYS 24 HZ2 LYS 24 18.452 -1.150 -12.984 197 HZ3 LYS 24 HZ3 LYS 24 17.598 -2.510 -12.451 198 H GLU 25 H GLU 25 13.864 -3.118 -11.865 199 HA GLU 25 HA GLU 25 11.331 -4.208 -12.796 200 HB2 GLU 25 HB2 GLU 25 12.607 -4.705 -10.113 201 HB3 GLU 25 HB3 GLU 25 11.453 -5.715 -10.972 202 HG2 GLU 25 HG2 GLU 25 13.629 -5.500 -12.691 203 HG3 GLU 25 HG3 GLU 25 14.331 -5.702 -11.087 204 HA PRO 26 HA PRO 26 8.712 -1.432 -10.630 205 HB2 PRO 26 HB2 PRO 26 6.653 -3.071 -9.965 206 HB3 PRO 26 HB3 PRO 26 6.947 -2.520 -11.619 207 HG2 PRO 26 HG2 PRO 26 7.665 -5.127 -10.335 208 HG3 PRO 26 HG3 PRO 26 6.988 -4.823 -11.945 209 HD2 PRO 26 HD2 PRO 26 9.618 -5.324 -11.543 210 HD3 PRO 26 HD3 PRO 26 9.037 -4.258 -12.838 211 H GLY 27 H GLY 27 9.156 -0.629 -8.678 212 HA2 GLY 27 HA2 GLY 27 8.663 -0.696 -6.312 213 HA3 GLY 27 HA3 GLY 27 8.946 -2.430 -6.354 214 H ASP 28 H ASP 28 11.362 -2.188 -7.976 215 HA ASP 28 HA ASP 28 13.210 -1.707 -5.817 216 HB2 ASP 28 HB2 ASP 28 13.438 -2.788 -8.604 217 HB3 ASP 28 HB3 ASP 28 14.889 -2.301 -7.735 218 H SER 29 H SER 29 15.017 -0.281 -5.914 219 HA SER 29 HA SER 29 14.364 2.316 -6.824 220 HB2 SER 29 HB2 SER 29 16.490 2.992 -5.937 221 HB3 SER 29 HB3 SER 29 15.837 1.764 -4.853 222 HG SER 29 HG SER 29 17.986 1.291 -5.271 223 H CYS 30 H CYS 30 15.335 3.592 -8.431 224 HA CYS 30 HA CYS 30 16.763 2.090 -10.526 225 HB2 CYS 30 HB2 CYS 30 14.930 4.376 -11.178 226 HB3 CYS 30 HB3 CYS 30 15.489 3.073 -12.221 227 H SER 31 H SER 31 17.716 3.774 -12.176 228 HA SER 31 HA SER 31 19.231 5.711 -10.567 229 HB2 SER 31 HB2 SER 31 19.877 4.137 -13.040 230 HB3 SER 31 HB3 SER 31 20.752 5.629 -12.695 231 HG SER 31 HG SER 31 20.810 3.181 -11.379 232 H LYS 32 H LYS 32 17.294 5.340 -13.467 233 HA LYS 32 HA LYS 32 16.792 8.192 -13.507 234 HB2 LYS 32 HB2 LYS 32 18.184 6.764 -15.769 235 HB3 LYS 32 HB3 LYS 32 17.304 8.268 -16.006 236 HG2 LYS 32 HG2 LYS 32 19.654 7.878 -14.164 237 HG3 LYS 32 HG3 LYS 32 19.691 8.662 -15.745 238 HD2 LYS 32 HD2 LYS 32 18.044 10.324 -14.883 239 HD3 LYS 32 HD3 LYS 32 18.205 9.585 -13.288 240 HE2 LYS 32 HE2 LYS 32 19.626 11.530 -13.420 241 HE3 LYS 32 HE3 LYS 32 20.625 10.080 -13.343 242 HZ1 LYS 32 HZ1 LYS 32 20.610 12.084 -15.306 243 HZ2 LYS 32 HZ2 LYS 32 20.129 10.635 -16.032 244 HZ3 LYS 32 HZ3 LYS 32 21.603 10.718 -15.205 245 H ARG 33 H ARG 33 14.945 8.770 -14.735 246 HA ARG 33 HA ARG 33 12.834 6.976 -14.666 247 HB2 ARG 33 HB2 ARG 33 12.857 9.563 -14.924 248 HB3 ARG 33 HB3 ARG 33 12.892 9.227 -16.649 249 HG2 ARG 33 HG2 ARG 33 10.826 7.829 -16.303 250 HG3 ARG 33 HG3 ARG 33 10.757 8.491 -14.669 251 HD2 ARG 33 HD2 ARG 33 10.283 10.626 -15.414 252 HD3 ARG 33 HD3 ARG 33 10.987 10.337 -17.004 253 HE ARG 33 HE ARG 33 8.865 8.669 -16.972 254 HH11 ARG 33 HH11 ARG 33 9.236 12.060 -16.275 255 HH12 ARG 33 HH12 ARG 33 7.631 12.473 -16.786 256 HH21 ARG 33 HH21 ARG 33 6.752 9.200 -17.645 257 HH22 ARG 33 HH22 ARG 33 6.220 10.846 -17.564 258 H ASP 34 H ASP 34 15.144 7.625 -17.213 259 HA ASP 34 HA ASP 34 13.773 6.314 -19.311 260 HB2 ASP 34 HB2 ASP 34 16.604 7.157 -18.837 261 HB3 ASP 34 HB3 ASP 34 16.247 6.082 -20.184 262 H GLU 35 H GLU 35 15.631 5.167 -16.635 263 HA GLU 35 HA GLU 35 16.409 2.656 -17.656 264 HB2 GLU 35 HB2 GLU 35 15.827 3.439 -14.794 265 HB3 GLU 35 HB3 GLU 35 16.711 2.009 -15.306 266 HG2 GLU 35 HG2 GLU 35 17.543 4.882 -15.536 267 HG3 GLU 35 HG3 GLU 35 18.324 3.584 -14.633 268 H CYS 36 H CYS 36 13.432 3.832 -16.260 269 HA CYS 36 HA CYS 36 12.254 1.282 -15.789 270 HB2 CYS 36 HB2 CYS 36 11.622 3.794 -15.021 271 HB3 CYS 36 HB3 CYS 36 10.478 3.585 -16.343 272 H CYS 37 H CYS 37 11.431 -0.103 -17.203 273 HA CYS 37 HA CYS 37 11.175 0.672 -19.989 274 HB2 CYS 37 HB2 CYS 37 11.412 -1.855 -18.487 275 HB3 CYS 37 HB3 CYS 37 10.382 -1.931 -19.912 276 H LYS 38 H LYS 38 9.210 -0.612 -21.091 277 HA LYS 38 HA LYS 38 6.807 0.440 -19.774 278 HB2 LYS 38 HB2 LYS 38 7.032 -0.430 -22.651 279 HB3 LYS 38 HB3 LYS 38 5.799 0.591 -21.924 280 HG2 LYS 38 HG2 LYS 38 7.857 2.144 -21.407 281 HG3 LYS 38 HG3 LYS 38 8.571 1.261 -22.759 282 HD2 LYS 38 HD2 LYS 38 6.945 2.017 -24.260 283 HD3 LYS 38 HD3 LYS 38 5.839 2.485 -22.967 284 HE2 LYS 38 HE2 LYS 38 8.499 3.818 -23.150 285 HE3 LYS 38 HE3 LYS 38 7.231 4.288 -24.280 286 HZ1 LYS 38 HZ1 LYS 38 5.790 4.592 -22.247 287 HZ2 LYS 38 HZ2 LYS 38 7.025 5.726 -22.462 288 HZ3 LYS 38 HZ3 LYS 38 7.206 4.484 -21.328 289 H ALA 39 H ALA 39 4.801 -0.799 -19.991 290 HA ALA 39 HA ALA 39 5.265 -3.589 -19.384 291 HB1 ALA 39 HB1 ALA 39 3.677 -2.170 -18.092 292 HB2 ALA 39 HB2 ALA 39 2.635 -2.126 -19.515 293 HB3 ALA 39 HB3 ALA 39 2.969 -3.661 -18.714 294 H ASP 40 H ASP 40 3.721 -5.238 -20.328 295 HA ASP 40 HA ASP 40 4.182 -5.586 -23.028 296 HB2 ASP 40 HB2 ASP 40 2.143 -6.743 -21.151 297 HB3 ASP 40 HB3 ASP 40 2.117 -7.166 -22.860 298 H ASP 41 H ASP 41 1.377 -4.137 -21.435 299 HA ASP 41 HA ASP 41 0.366 -3.329 -24.081 300 HB2 ASP 41 HB2 ASP 41 -1.010 -4.724 -22.250 301 HB3 ASP 41 HB3 ASP 41 -1.372 -3.097 -21.682 302 H GLN 42 H GLN 42 2.390 -1.806 -23.306 303 HA GLN 42 HA GLN 42 2.003 0.293 -21.560 304 HB2 GLN 42 HB2 GLN 42 3.643 1.527 -22.871 305 HB3 GLN 42 HB3 GLN 42 4.125 -0.157 -22.721 306 HG2 GLN 42 HG2 GLN 42 3.498 -0.628 -24.955 307 HG3 GLN 42 HG3 GLN 42 2.684 0.926 -25.122 308 HE21 GLN 42 HE21 GLN 42 3.930 2.809 -25.330 309 HE22 GLN 42 HE22 GLN 42 5.584 2.747 -25.822 310 H LYS 43 H LYS 43 0.621 -0.221 -24.711 311 HA LYS 43 HA LYS 43 -0.169 2.350 -25.400 312 HB2 LYS 43 HB2 LYS 43 -1.552 -0.294 -25.874 313 HB3 LYS 43 HB3 LYS 43 -2.048 1.215 -26.629 314 HG2 LYS 43 HG2 LYS 43 -0.151 1.332 -27.949 315 HG3 LYS 43 HG3 LYS 43 0.765 0.245 -26.904 316 HD2 LYS 43 HD2 LYS 43 -0.240 -1.646 -27.766 317 HD3 LYS 43 HD3 LYS 43 -1.678 -0.767 -28.292 318 HE2 LYS 43 HE2 LYS 43 0.995 -0.230 -29.533 319 HE3 LYS 43 HE3 LYS 43 0.008 -1.588 -30.069 320 HZ1 LYS 43 HZ1 LYS 43 -1.601 0.708 -29.929 321 HZ2 LYS 43 HZ2 LYS 43 -1.190 -0.206 -31.290 322 HZ3 LYS 43 HZ3 LYS 43 -0.210 1.089 -30.815 323 H THR 44 H THR 44 -1.468 0.174 -23.009 324 HA THR 44 HA THR 44 -3.611 2.111 -22.426 325 HB THR 44 HB THR 44 -4.547 0.105 -21.059 326 HG1 THR 44 HG1 THR 44 -2.931 -1.275 -22.961 327 HG21 THR 44 HG21 THR 44 -4.778 0.864 -23.844 328 HG22 THR 44 HG22 THR 44 -6.032 0.365 -22.707 329 HG23 THR 44 HG23 THR 44 -5.126 -0.849 -23.612 330 H TYR 45 H TYR 45 -1.074 0.106 -21.012 331 HA TYR 45 HA TYR 45 -1.476 1.369 -18.406 332 HB2 TYR 45 HB2 TYR 45 0.582 -0.735 -19.051 333 HB3 TYR 45 HB3 TYR 45 -0.124 -0.338 -17.487 334 HD1 TYR 45 HD1 TYR 45 -3.021 -0.250 -18.324 335 HD2 TYR 45 HD2 TYR 45 0.078 -3.034 -19.189 336 HE1 TYR 45 HE1 TYR 45 -4.703 -2.019 -18.629 337 HE2 TYR 45 HE2 TYR 45 -1.595 -4.809 -19.499 338 HH TYR 45 HH TYR 45 -3.926 -5.078 -19.984 339 H SER 46 H SER 46 0.125 2.542 -17.348 340 HA SER 46 HA SER 46 2.135 3.718 -19.134 341 HB2 SER 46 HB2 SER 46 0.372 5.090 -17.775 342 HB3 SER 46 HB3 SER 46 1.468 4.816 -16.420 343 HG SER 46 HG SER 46 2.239 5.943 -18.909 344 H SER 47 H SER 47 4.267 4.191 -18.275 345 HA SER 47 HA SER 47 5.102 2.581 -15.983 346 HB2 SER 47 HB2 SER 47 6.752 1.362 -17.136 347 HB3 SER 47 HB3 SER 47 5.352 1.290 -18.206 348 HG SER 47 HG SER 47 6.301 2.664 -19.577 349 H GLY 48 H GLY 48 6.854 3.386 -14.885 350 HA2 GLY 48 HA2 GLY 48 8.759 5.180 -15.858 351 HA3 GLY 48 HA3 GLY 48 7.438 6.134 -15.198 352 H CYS 49 H CYS 49 10.104 6.124 -14.219 353 HA CYS 49 HA CYS 49 9.670 4.957 -11.547 354 HB2 CYS 49 HB2 CYS 49 11.532 3.946 -13.034 355 HB3 CYS 49 HB3 CYS 49 12.408 5.436 -12.696 356 H ALA 50 H ALA 50 9.103 6.610 -10.280 357 HA ALA 50 HA ALA 50 10.794 9.023 -10.335 358 HB1 ALA 50 HB1 ALA 50 8.853 9.885 -11.220 359 HB2 ALA 50 HB2 ALA 50 7.818 8.801 -10.289 360 HB3 ALA 50 HB3 ALA 50 8.602 10.168 -9.496 361 H GLN 51 H GLN 51 10.982 10.150 -8.308 362 HA GLN 51 HA GLN 51 11.496 8.481 -6.129 363 HB2 GLN 51 HB2 GLN 51 10.969 11.457 -6.062 364 HB3 GLN 51 HB3 GLN 51 11.821 10.523 -4.839 365 HG2 GLN 51 HG2 GLN 51 13.628 10.080 -6.337 366 HG3 GLN 51 HG3 GLN 51 12.748 10.796 -7.685 367 HE21 GLN 51 HE21 GLN 51 14.351 11.462 -4.643 368 HE22 GLN 51 HE22 GLN 51 14.654 13.135 -4.949 369 H THR 52 H THR 52 10.391 7.960 -4.289 370 HA THR 52 HA THR 52 7.756 9.092 -3.805 371 HB THR 52 HB THR 52 6.696 6.845 -3.628 372 HG1 THR 52 HG1 THR 52 9.018 5.957 -5.025 373 HG21 THR 52 HG21 THR 52 6.347 8.220 -5.619 374 HG22 THR 52 HG22 THR 52 6.396 6.508 -6.039 375 HG23 THR 52 HG23 THR 52 7.794 7.534 -6.356 376 H TRP 53 H TRP 53 7.391 9.303 -1.687 377 HA TRP 53 HA TRP 53 9.292 8.825 0.251 378 HB2 TRP 53 HB2 TRP 53 7.490 10.358 0.677 379 HB3 TRP 53 HB3 TRP 53 6.292 9.078 0.518 380 HD1 TRP 53 HD1 TRP 53 5.748 7.661 2.645 381 HE1 TRP 53 HE1 TRP 53 6.504 7.768 5.103 382 HE3 TRP 53 HE3 TRP 53 9.625 10.957 2.158 383 HZ2 TRP 53 HZ2 TRP 53 8.482 9.077 6.632 384 HZ3 TRP 53 HZ3 TRP 53 10.898 11.584 4.167 385 HH2 TRP 53 HH2 TRP 53 10.337 10.664 6.358 386 H SER 54 H SER 54 10.153 6.937 0.807 387 HA SER 54 HA SER 54 8.426 4.561 0.911 388 HB2 SER 54 HB2 SER 54 10.355 4.307 -0.545 389 HB3 SER 54 HB3 SER 54 11.440 4.802 0.754 390 HG SER 54 HG SER 54 10.525 2.363 0.199 391 H ALA 55 H ALA 55 7.734 3.956 2.842 392 HA ALA 55 HA ALA 55 8.801 5.036 5.260 393 HB1 ALA 55 HB1 ALA 55 6.414 3.807 4.483 394 HB2 ALA 55 HB2 ALA 55 7.117 2.747 5.705 395 HB3 ALA 55 HB3 ALA 55 6.822 4.446 6.076 396 H MET 56 H MET 56 8.936 1.872 3.678 397 HA MET 56 HA MET 56 10.284 0.518 5.752 398 HB2 MET 56 HB2 MET 56 10.057 0.021 2.790 399 HB3 MET 56 HB3 MET 56 10.985 -1.040 3.843 400 HG2 MET 56 HG2 MET 56 8.777 -1.116 5.230 401 HG3 MET 56 HG3 MET 56 8.043 -0.595 3.715 402 HE1 MET 56 HE1 MET 56 10.960 -2.911 4.757 403 HE2 MET 56 HE2 MET 56 9.642 -3.654 5.662 404 HE3 MET 56 HE3 MET 56 10.383 -4.517 4.312 405 H GLU 57 H GLU 57 11.506 2.043 2.776 406 HA GLU 57 HA GLU 57 14.242 1.556 3.399 407 HB2 GLU 57 HB2 GLU 57 13.128 3.635 1.512 408 HB3 GLU 57 HB3 GLU 57 14.749 2.955 1.499 409 HG2 GLU 57 HG2 GLU 57 12.268 1.320 1.047 410 HG3 GLU 57 HG3 GLU 57 13.191 2.074 -0.252 411 H GLY 58 H GLY 58 12.006 4.182 4.018 412 HA2 GLY 58 HA2 GLY 58 12.169 5.899 5.555 413 HA3 GLY 58 HA3 GLY 58 13.731 5.259 6.040 414 H GLY 59 H GLY 59 12.905 6.145 2.743 415 HA2 GLY 59 HA2 GLY 59 13.993 8.768 2.831 416 HA3 GLY 59 HA3 GLY 59 15.208 7.623 2.279 417 H PHE 60 H PHE 60 13.765 9.867 0.916 418 HA PHE 60 HA PHE 60 11.911 8.920 -0.938 419 HB2 PHE 60 HB2 PHE 60 13.849 11.212 -0.949 420 HB3 PHE 60 HB3 PHE 60 12.883 10.862 -2.377 421 HD1 PHE 60 HD1 PHE 60 12.950 12.387 0.859 422 HD2 PHE 60 HD2 PHE 60 10.368 10.847 -2.155 423 HE1 PHE 60 HE1 PHE 60 11.072 13.645 1.831 424 HE2 PHE 60 HE2 PHE 60 8.487 12.104 -1.188 425 HZ PHE 60 HZ PHE 60 8.837 13.504 0.807 426 H VAL 61 H VAL 61 12.098 7.450 -2.481 427 HA VAL 61 HA VAL 61 14.618 7.240 -3.965 428 HB VAL 61 HB VAL 61 14.326 4.718 -3.947 429 HG11 VAL 61 HG11 VAL 61 15.528 6.479 -2.043 430 HG12 VAL 61 HG12 VAL 61 15.000 5.006 -1.227 431 HG13 VAL 61 HG13 VAL 61 16.089 4.906 -2.612 432 HG21 VAL 61 HG21 VAL 61 12.842 3.677 -2.593 433 HG22 VAL 61 HG22 VAL 61 12.940 4.920 -1.346 434 HG23 VAL 61 HG23 VAL 61 11.953 5.189 -2.781 435 H ARG 62 H ARG 62 14.415 6.485 -6.086 436 HA ARG 62 HA ARG 62 11.771 6.846 -7.222 437 HB2 ARG 62 HB2 ARG 62 14.387 6.262 -8.621 438 HB3 ARG 62 HB3 ARG 62 12.898 6.818 -9.374 439 HG2 ARG 62 HG2 ARG 62 13.095 8.958 -8.450 440 HG3 ARG 62 HG3 ARG 62 14.289 8.428 -7.264 441 HD2 ARG 62 HD2 ARG 62 15.745 7.863 -9.316 442 HD3 ARG 62 HD3 ARG 62 14.628 8.897 -10.204 443 HE ARG 62 HE ARG 62 15.647 10.163 -7.855 444 HH11 ARG 62 HH11 ARG 62 16.362 9.388 -11.173 445 HH12 ARG 62 HH12 ARG 62 17.464 10.710 -11.380 446 HH21 ARG 62 HH21 ARG 62 17.096 11.906 -8.116 447 HH22 ARG 62 HH22 ARG 62 17.881 12.139 -9.640 448 H GLU 63 H GLU 63 10.431 5.168 -7.259 449 HA GLU 63 HA GLU 63 11.539 2.506 -7.868 450 HB2 GLU 63 HB2 GLU 63 9.713 1.532 -6.605 451 HB3 GLU 63 HB3 GLU 63 10.577 2.687 -5.600 452 HG2 GLU 63 HG2 GLU 63 8.795 4.366 -6.228 453 HG3 GLU 63 HG3 GLU 63 7.896 3.014 -6.911 454 H CYS 64 H CYS 64 10.699 1.367 -9.533 455 HA CYS 64 HA CYS 64 9.215 2.704 -11.523 456 HB2 CYS 64 HB2 CYS 64 10.263 -0.043 -11.119 457 HB3 CYS 64 HB3 CYS 64 8.953 0.137 -12.280 458 H TYR 65 H TYR 65 7.097 2.485 -12.207 459 HA TYR 65 HA TYR 65 5.275 0.879 -10.582 460 HB2 TYR 65 HB2 TYR 65 3.711 2.826 -10.392 461 HB3 TYR 65 HB3 TYR 65 5.194 3.004 -9.462 462 HD1 TYR 65 HD1 TYR 65 3.504 4.045 -12.592 463 HD2 TYR 65 HD2 TYR 65 6.644 4.827 -9.829 464 HE1 TYR 65 HE1 TYR 65 3.931 6.200 -13.696 465 HE2 TYR 65 HE2 TYR 65 7.078 6.985 -10.925 466 HH TYR 65 HH TYR 65 5.021 8.513 -12.856 467 H ILE 66 H ILE 66 3.387 0.268 -11.629 468 HA ILE 66 HA ILE 66 3.023 1.179 -14.392 469 HB ILE 66 HB ILE 66 3.126 -1.717 -13.543 470 HG12 ILE 66 HG12 ILE 66 4.796 -0.311 -15.628 471 HG13 ILE 66 HG13 ILE 66 5.303 -0.454 -13.948 472 HG21 ILE 66 HG21 ILE 66 2.706 -2.178 -15.954 473 HG22 ILE 66 HG22 ILE 66 1.338 -1.454 -15.111 474 HG23 ILE 66 HG23 ILE 66 2.345 -0.466 -16.169 475 HD11 ILE 66 HD11 ILE 66 5.160 -2.912 -14.166 476 HD12 ILE 66 HD12 ILE 66 4.793 -2.701 -15.878 477 HD13 ILE 66 HD13 ILE 66 6.350 -2.174 -15.239 478 H CYS 67 H CYS 67 1.004 1.836 -14.662 479 HA CYS 67 HA CYS 67 -1.202 0.310 -13.549 480 HB2 CYS 67 HB2 CYS 67 -0.292 2.818 -12.402 481 HB3 CYS 67 HB3 CYS 67 -1.957 2.931 -12.961 482 H ALA 68 H ALA 68 -3.267 0.896 -14.464 483 HA ALA 68 HA ALA 68 -3.073 1.557 -17.231 484 HB1 ALA 68 HB1 ALA 68 -5.721 1.552 -15.896 485 HB2 ALA 68 HB2 ALA 68 -5.209 0.802 -17.411 486 HB3 ALA 68 HB3 ALA 68 -4.790 0.052 -15.870 487 H VAL 69 H VAL 69 -3.841 3.351 -18.333 488 HA VAL 69 HA VAL 69 -3.735 5.829 -16.881 489 HB VAL 69 HB VAL 69 -4.467 5.456 -19.784 490 HG11 VAL 69 HG11 VAL 69 -3.431 7.774 -18.170 491 HG12 VAL 69 HG12 VAL 69 -3.401 7.740 -19.933 492 HG13 VAL 69 HG13 VAL 69 -4.940 7.665 -19.074 493 HG21 VAL 69 HG21 VAL 69 -2.424 4.605 -20.068 494 HG22 VAL 69 HG22 VAL 69 -1.814 6.217 -19.693 495 HG23 VAL 69 HG23 VAL 69 -1.942 5.003 -18.419 496 H GLU 70 H GLU 70 -6.221 4.089 -18.732 497 HA GLU 70 HA GLU 70 -8.259 6.017 -18.219 498 HB2 GLU 70 HB2 GLU 70 -9.792 4.241 -19.085 499 HB3 GLU 70 HB3 GLU 70 -8.464 4.638 -20.167 500 HG2 GLU 70 HG2 GLU 70 -7.282 2.651 -19.541 501 HG3 GLU 70 HG3 GLU 70 -8.470 2.286 -18.292 502 H SER 71 H SER 71 -7.210 3.047 -16.671 503 HA SER 71 HA SER 71 -9.368 3.289 -14.698 504 HB2 SER 71 HB2 SER 71 -7.677 1.043 -15.670 505 HB3 SER 71 HB3 SER 71 -8.185 0.995 -13.983 506 HG SER 71 HG SER 71 -9.626 0.005 -15.621 507 H SER 72 H SER 72 -8.971 4.165 -12.785 508 HA SER 72 HA SER 72 -6.259 4.839 -12.037 509 HB2 SER 72 HB2 SER 72 -8.238 6.396 -11.758 510 HB3 SER 72 HB3 SER 72 -8.780 5.348 -10.448 511 HG SER 72 HG SER 72 -6.532 7.022 -10.583 512 H MET 73 H MET 73 -8.814 2.676 -10.964 513 HA MET 73 HA MET 73 -7.206 1.752 -8.717 514 HB2 MET 73 HB2 MET 73 -10.017 1.212 -9.634 515 HB3 MET 73 HB3 MET 73 -9.252 0.210 -8.408 516 HG2 MET 73 HG2 MET 73 -8.774 2.449 -7.214 517 HG3 MET 73 HG3 MET 73 -10.027 3.090 -8.276 518 HE1 MET 73 HE1 MET 73 -12.608 3.247 -6.786 519 HE2 MET 73 HE2 MET 73 -12.210 2.608 -8.380 520 HE3 MET 73 HE3 MET 73 -13.216 1.666 -7.280 521 H CYS 74 H CYS 74 -5.842 1.213 -10.951 522 HA CYS 74 HA CYS 74 -6.345 -1.100 -12.372 523 HB2 CYS 74 HB2 CYS 74 -4.011 -1.165 -12.889 524 HB3 CYS 74 HB3 CYS 74 -4.463 0.531 -12.751 Start of MODEL 4 1 H1 SER 1 H SER 1 0.406 1.280 -2.445 2 HA SER 1 HA SER 1 3.008 0.994 -1.362 3 HB2 SER 1 HB2 SER 1 0.488 -0.123 -0.132 4 HB3 SER 1 HB3 SER 1 1.938 0.457 0.689 5 HG SER 1 HG SER 1 0.421 2.063 0.836 6 H ASN 2 H ASN 2 0.565 -1.326 -2.435 7 HA ASN 2 HA ASN 2 2.299 -3.569 -1.781 8 HB2 ASN 2 HB2 ASN 2 -0.534 -3.286 -2.720 9 HB3 ASN 2 HB3 ASN 2 0.295 -4.828 -2.916 10 HD21 ASN 2 HD21 ASN 2 -0.778 -6.021 -1.452 11 HD22 ASN 2 HD22 ASN 2 -0.808 -5.692 0.244 12 H ARG 3 H ARG 3 2.517 -5.316 -3.492 13 HA ARG 3 HA ARG 3 4.035 -4.389 -5.622 14 HB2 ARG 3 HB2 ARG 3 2.564 -7.019 -5.361 15 HB3 ARG 3 HB3 ARG 3 3.823 -6.683 -6.543 16 HG2 ARG 3 HG2 ARG 3 4.394 -6.310 -3.640 17 HG3 ARG 3 HG3 ARG 3 4.394 -7.932 -4.334 18 HD2 ARG 3 HD2 ARG 3 6.160 -7.430 -5.791 19 HD3 ARG 3 HD3 ARG 3 5.951 -5.691 -5.582 20 HE ARG 3 HE ARG 3 6.624 -6.889 -3.115 21 HH11 ARG 3 HH11 ARG 3 8.005 -6.029 -6.192 22 HH12 ARG 3 HH12 ARG 3 9.609 -5.836 -5.567 23 HH21 ARG 3 HH21 ARG 3 8.731 -6.638 -2.278 24 HH22 ARG 3 HH22 ARG 3 10.021 -6.183 -3.341 25 H TRP 4 H TRP 4 0.603 -5.154 -5.463 26 HA TRP 4 HA TRP 4 -0.004 -5.117 -8.184 27 HB2 TRP 4 HB2 TRP 4 -1.797 -4.065 -5.992 28 HB3 TRP 4 HB3 TRP 4 -2.287 -4.750 -7.538 29 HD1 TRP 4 HD1 TRP 4 -2.539 -5.721 -4.189 30 HE1 TRP 4 HE1 TRP 4 -2.351 -8.264 -3.833 31 HE3 TRP 4 HE3 TRP 4 -0.426 -7.015 -8.663 32 HZ2 TRP 4 HZ2 TRP 4 -1.430 -10.518 -5.259 33 HZ3 TRP 4 HZ3 TRP 4 0.077 -9.385 -9.087 34 HH2 TRP 4 HH2 TRP 4 -0.415 -11.100 -7.419 35 H ASN 5 H ASN 5 0.421 -2.477 -5.902 36 HA ASN 5 HA ASN 5 -0.624 -0.391 -7.449 37 HB2 ASN 5 HB2 ASN 5 1.656 -0.299 -5.457 38 HB3 ASN 5 HB3 ASN 5 0.753 1.095 -6.046 39 HD21 ASN 5 HD21 ASN 5 -0.877 1.749 -4.851 40 HD22 ASN 5 HD22 ASN 5 -1.713 0.808 -3.668 41 H LEU 6 H LEU 6 2.517 -1.959 -7.487 42 HA LEU 6 HA LEU 6 3.552 -0.070 -9.444 43 HB2 LEU 6 HB2 LEU 6 4.808 -2.520 -8.215 44 HB3 LEU 6 HB3 LEU 6 5.625 -1.376 -9.278 45 HG LEU 6 HG LEU 6 6.357 -0.794 -7.147 46 HD11 LEU 6 HD11 LEU 6 5.615 1.399 -6.842 47 HD12 LEU 6 HD12 LEU 6 3.983 1.022 -7.393 48 HD13 LEU 6 HD13 LEU 6 5.315 1.074 -8.548 49 HD21 LEU 6 HD21 LEU 6 4.404 -2.209 -6.120 50 HD22 LEU 6 HD22 LEU 6 3.624 -0.634 -5.967 51 HD23 LEU 6 HD23 LEU 6 5.177 -0.929 -5.183 52 H GLY 7 H GLY 7 1.374 -2.299 -9.782 53 HA2 GLY 7 HA2 GLY 7 0.679 -3.698 -11.465 54 HA3 GLY 7 HA3 GLY 7 1.696 -2.715 -12.508 55 H TYR 8 H TYR 8 2.906 -4.614 -9.818 56 HA TYR 8 HA TYR 8 4.908 -5.845 -11.353 57 HB2 TYR 8 HB2 TYR 8 5.224 -5.630 -8.989 58 HB3 TYR 8 HB3 TYR 8 3.753 -6.535 -8.649 59 HD1 TYR 8 HD1 TYR 8 6.769 -7.152 -10.778 60 HD2 TYR 8 HD2 TYR 8 4.212 -8.576 -7.691 61 HE1 TYR 8 HE1 TYR 8 8.081 -9.229 -10.658 62 HE2 TYR 8 HE2 TYR 8 5.517 -10.656 -7.560 63 HH TYR 8 HH TYR 8 7.338 -11.824 -9.735 64 H GLY 9 H GLY 9 1.777 -7.058 -10.199 65 HA2 GLY 9 HA2 GLY 9 1.962 -9.690 -11.049 66 HA3 GLY 9 HA3 GLY 9 0.461 -8.781 -10.956 67 H ILE 10 H ILE 10 1.040 -6.828 -12.914 68 HA ILE 10 HA ILE 10 0.136 -8.067 -15.226 69 HB ILE 10 HB ILE 10 1.709 -5.494 -15.061 70 HG12 ILE 10 HG12 ILE 10 -1.278 -5.970 -14.944 71 HG13 ILE 10 HG13 ILE 10 -0.264 -5.521 -13.577 72 HG21 ILE 10 HG21 ILE 10 1.512 -6.440 -17.333 73 HG22 ILE 10 HG22 ILE 10 -0.243 -6.429 -17.159 74 HG23 ILE 10 HG23 ILE 10 0.653 -4.909 -17.154 75 HD11 ILE 10 HD11 ILE 10 0.274 -3.577 -15.458 76 HD12 ILE 10 HD12 ILE 10 -1.458 -3.867 -15.625 77 HD13 ILE 10 HD13 ILE 10 -0.785 -3.422 -14.057 78 HA PRO 11 HA PRO 11 3.756 -10.063 -16.800 79 HB2 PRO 11 HB2 PRO 11 2.813 -10.576 -19.294 80 HB3 PRO 11 HB3 PRO 11 2.305 -11.490 -17.869 81 HG2 PRO 11 HG2 PRO 11 0.915 -9.238 -19.270 82 HG3 PRO 11 HG3 PRO 11 0.237 -10.748 -18.633 83 HD2 PRO 11 HD2 PRO 11 0.048 -8.392 -17.311 84 HD3 PRO 11 HD3 PRO 11 0.171 -9.952 -16.470 85 H HIS 12 H HIS 12 5.542 -8.996 -17.352 86 HA HIS 12 HA HIS 12 5.364 -6.949 -19.466 87 HB2 HIS 12 HB2 HIS 12 7.496 -7.009 -17.340 88 HB3 HIS 12 HB3 HIS 12 7.031 -5.670 -18.386 89 HD1 HIS 12 HD1 HIS 12 6.888 -6.409 -15.028 90 HD2 HIS 12 HD2 HIS 12 3.972 -5.228 -17.742 91 HE1 HIS 12 HE1 HIS 12 5.037 -5.422 -13.640 92 H LYS 13 H LYS 13 7.343 -6.660 -20.751 93 HA LYS 13 HA LYS 13 8.758 -9.218 -21.113 94 HB2 LYS 13 HB2 LYS 13 7.671 -7.237 -23.069 95 HB3 LYS 13 HB3 LYS 13 9.100 -8.164 -23.510 96 HG2 LYS 13 HG2 LYS 13 6.618 -9.509 -22.508 97 HG3 LYS 13 HG3 LYS 13 6.809 -9.063 -24.204 98 HD2 LYS 13 HD2 LYS 13 8.474 -10.596 -24.561 99 HD3 LYS 13 HD3 LYS 13 9.008 -10.569 -22.880 100 HE2 LYS 13 HE2 LYS 13 7.092 -11.865 -22.203 101 HE3 LYS 13 HE3 LYS 13 6.418 -11.786 -23.831 102 HZ1 LYS 13 HZ1 LYS 13 9.098 -12.900 -23.569 103 HZ2 LYS 13 HZ2 LYS 13 7.831 -13.358 -24.591 104 HZ3 LYS 13 HZ3 LYS 13 7.826 -13.841 -22.970 105 H GLN 14 H GLN 14 10.772 -9.089 -20.379 106 HA GLN 14 HA GLN 14 12.146 -6.637 -19.977 107 HB2 GLN 14 HB2 GLN 14 12.542 -8.660 -18.611 108 HB3 GLN 14 HB3 GLN 14 13.248 -9.453 -20.013 109 HG2 GLN 14 HG2 GLN 14 15.084 -8.725 -18.801 110 HG3 GLN 14 HG3 GLN 14 14.897 -7.500 -20.054 111 HE21 GLN 14 HE21 GLN 14 16.346 -6.890 -17.874 112 HE22 GLN 14 HE22 GLN 14 15.496 -5.771 -16.867 113 H VAL 15 H VAL 15 13.811 -5.697 -21.107 114 HA VAL 15 HA VAL 15 14.772 -6.944 -23.555 115 HB VAL 15 HB VAL 15 14.320 -4.859 -24.875 116 HG11 VAL 15 HG11 VAL 15 11.992 -5.425 -25.363 117 HG12 VAL 15 HG12 VAL 15 12.976 -6.876 -25.163 118 HG13 VAL 15 HG13 VAL 15 11.901 -6.353 -23.867 119 HG21 VAL 15 HG21 VAL 15 13.913 -3.440 -22.843 120 HG22 VAL 15 HG22 VAL 15 12.715 -3.267 -24.127 121 HG23 VAL 15 HG23 VAL 15 12.341 -4.226 -22.695 122 H LYS 16 H LYS 16 16.626 -5.860 -24.466 123 HA LYS 16 HA LYS 16 18.294 -4.697 -22.415 124 HB2 LYS 16 HB2 LYS 16 18.927 -5.250 -25.318 125 HB3 LYS 16 HB3 LYS 16 20.090 -4.873 -24.055 126 HG2 LYS 16 HG2 LYS 16 19.042 -6.991 -22.909 127 HG3 LYS 16 HG3 LYS 16 18.588 -7.387 -24.567 128 HD2 LYS 16 HD2 LYS 16 20.839 -7.417 -25.281 129 HD3 LYS 16 HD3 LYS 16 21.397 -6.626 -23.805 130 HE2 LYS 16 HE2 LYS 16 20.695 -8.629 -22.525 131 HE3 LYS 16 HE3 LYS 16 20.273 -9.414 -24.046 132 HZ1 LYS 16 HZ1 LYS 16 22.418 -10.154 -23.506 133 HZ2 LYS 16 HZ2 LYS 16 22.958 -8.603 -23.099 134 HZ3 LYS 16 HZ3 LYS 16 22.651 -8.994 -24.717 135 H LEU 17 H LEU 17 18.918 -2.619 -22.230 136 HA LEU 17 HA LEU 17 17.604 -0.671 -23.953 137 HB2 LEU 17 HB2 LEU 17 19.090 -0.464 -21.350 138 HB3 LEU 17 HB3 LEU 17 18.591 0.957 -22.265 139 HG LEU 17 HG LEU 17 16.505 -1.044 -21.576 140 HD11 LEU 17 HD11 LEU 17 16.204 0.148 -19.377 141 HD12 LEU 17 HD12 LEU 17 17.835 0.785 -19.592 142 HD13 LEU 17 HD13 LEU 17 17.576 -0.956 -19.470 143 HD21 LEU 17 HD21 LEU 17 15.176 1.014 -21.313 144 HD22 LEU 17 HD22 LEU 17 15.927 0.895 -22.904 145 HD23 LEU 17 HD23 LEU 17 16.613 1.969 -21.685 146 HA PRO 18 HA PRO 18 21.139 0.476 -26.286 147 HB2 PRO 18 HB2 PRO 18 20.797 3.158 -26.528 148 HB3 PRO 18 HB3 PRO 18 19.793 1.981 -27.383 149 HG2 PRO 18 HG2 PRO 18 19.212 3.495 -24.866 150 HG3 PRO 18 HG3 PRO 18 18.148 3.170 -26.246 151 HD2 PRO 18 HD2 PRO 18 18.024 1.747 -23.945 152 HD3 PRO 18 HD3 PRO 18 17.661 1.032 -25.529 153 H ASN 19 H ASN 19 20.679 1.667 -23.117 154 HA ASN 19 HA ASN 19 23.096 3.218 -22.974 155 HB2 ASN 19 HB2 ASN 19 21.057 2.295 -20.967 156 HB3 ASN 19 HB3 ASN 19 22.573 3.014 -20.436 157 HD21 ASN 19 HD21 ASN 19 19.467 3.687 -20.981 158 HD22 ASN 19 HD22 ASN 19 19.572 5.360 -21.395 159 H GLY 20 H GLY 20 22.271 -0.097 -22.695 160 HA2 GLY 20 HA2 GLY 20 24.103 -1.695 -22.828 161 HA3 GLY 20 HA3 GLY 20 25.002 -0.663 -21.726 162 H GLN 21 H GLN 21 22.435 -0.281 -20.152 163 HA GLN 21 HA GLN 21 22.752 -2.701 -18.542 164 HB2 GLN 21 HB2 GLN 21 21.234 -0.208 -17.784 165 HB3 GLN 21 HB3 GLN 21 21.845 -1.466 -16.717 166 HG2 GLN 21 HG2 GLN 21 24.167 -0.767 -17.576 167 HG3 GLN 21 HG3 GLN 21 23.352 0.693 -18.134 168 HE21 GLN 21 HE21 GLN 21 23.073 2.299 -16.740 169 HE22 GLN 21 HE22 GLN 21 23.318 2.199 -15.033 170 H LEU 22 H LEU 22 20.732 -3.494 -17.417 171 HA LEU 22 HA LEU 22 18.665 -3.876 -19.439 172 HB2 LEU 22 HB2 LEU 22 19.304 -5.266 -16.851 173 HB3 LEU 22 HB3 LEU 22 17.836 -5.597 -17.768 174 HG LEU 22 HG LEU 22 20.671 -6.066 -18.688 175 HD11 LEU 22 HD11 LEU 22 18.486 -8.072 -18.187 176 HD12 LEU 22 HD12 LEU 22 19.695 -7.636 -16.979 177 HD13 LEU 22 HD13 LEU 22 20.196 -8.377 -18.498 178 HD21 LEU 22 HD21 LEU 22 18.040 -6.503 -20.098 179 HD22 LEU 22 HD22 LEU 22 19.595 -7.132 -20.648 180 HD23 LEU 22 HD23 LEU 22 19.325 -5.390 -20.567 181 H CYS 23 H CYS 23 16.397 -3.782 -18.858 182 HA CYS 23 HA CYS 23 15.628 -1.371 -17.717 183 HB2 CYS 23 HB2 CYS 23 13.932 -3.868 -17.924 184 HB3 CYS 23 HB3 CYS 23 13.350 -2.210 -17.809 185 H LYS 24 H LYS 24 14.084 -1.152 -15.829 186 HA LYS 24 HA LYS 24 15.245 -2.554 -13.523 187 HB2 LYS 24 HB2 LYS 24 14.147 0.162 -13.967 188 HB3 LYS 24 HB3 LYS 24 13.821 -0.560 -12.397 189 HG2 LYS 24 HG2 LYS 24 16.567 -0.291 -13.598 190 HG3 LYS 24 HG3 LYS 24 15.853 0.857 -12.462 191 HD2 LYS 24 HD2 LYS 24 16.025 -0.580 -10.691 192 HD3 LYS 24 HD3 LYS 24 15.880 -2.017 -11.705 193 HE2 LYS 24 HE2 LYS 24 18.115 -2.024 -12.248 194 HE3 LYS 24 HE3 LYS 24 18.291 -0.289 -11.986 195 HZ1 LYS 24 HZ1 LYS 24 17.580 -1.655 -9.586 196 HZ2 LYS 24 HZ2 LYS 24 18.889 -0.629 -9.889 197 HZ3 LYS 24 HZ3 LYS 24 19.009 -2.277 -10.246 198 H GLU 25 H GLU 25 13.880 -3.302 -11.825 199 HA GLU 25 HA GLU 25 11.334 -4.309 -12.813 200 HB2 GLU 25 HB2 GLU 25 12.667 -4.885 -10.165 201 HB3 GLU 25 HB3 GLU 25 11.367 -5.794 -10.920 202 HG2 GLU 25 HG2 GLU 25 13.569 -5.669 -12.722 203 HG3 GLU 25 HG3 GLU 25 14.144 -6.201 -11.143 204 HA PRO 26 HA PRO 26 8.757 -1.506 -10.631 205 HB2 PRO 26 HB2 PRO 26 6.643 -3.101 -10.035 206 HB3 PRO 26 HB3 PRO 26 6.980 -2.523 -11.671 207 HG2 PRO 26 HG2 PRO 26 7.605 -5.177 -10.435 208 HG3 PRO 26 HG3 PRO 26 6.963 -4.818 -12.047 209 HD2 PRO 26 HD2 PRO 26 9.571 -5.401 -11.614 210 HD3 PRO 26 HD3 PRO 26 9.040 -4.292 -12.895 211 H GLY 27 H GLY 27 9.210 -0.761 -8.655 212 HA2 GLY 27 HA2 GLY 27 8.633 -0.895 -6.296 213 HA3 GLY 27 HA3 GLY 27 8.949 -2.622 -6.379 214 H ASP 28 H ASP 28 11.387 -2.295 -7.955 215 HA ASP 28 HA ASP 28 13.183 -1.787 -5.746 216 HB2 ASP 28 HB2 ASP 28 13.499 -2.906 -8.515 217 HB3 ASP 28 HB3 ASP 28 14.914 -2.424 -7.584 218 H SER 29 H SER 29 14.901 -0.298 -5.759 219 HA SER 29 HA SER 29 14.279 2.256 -6.737 220 HB2 SER 29 HB2 SER 29 16.479 2.922 -5.930 221 HB3 SER 29 HB3 SER 29 15.730 1.828 -4.769 222 HG SER 29 HG SER 29 17.786 1.101 -5.045 223 H CYS 30 H CYS 30 15.262 3.533 -8.344 224 HA CYS 30 HA CYS 30 16.670 2.019 -10.443 225 HB2 CYS 30 HB2 CYS 30 14.846 4.311 -11.098 226 HB3 CYS 30 HB3 CYS 30 15.390 2.996 -12.135 227 H SER 31 H SER 31 17.621 3.693 -12.103 228 HA SER 31 HA SER 31 19.154 5.626 -10.508 229 HB2 SER 31 HB2 SER 31 19.788 3.940 -12.878 230 HB3 SER 31 HB3 SER 31 20.577 5.514 -12.769 231 HG SER 31 HG SER 31 21.710 3.715 -11.748 232 H LYS 32 H LYS 32 17.147 5.268 -13.350 233 HA LYS 32 HA LYS 32 16.639 8.105 -13.393 234 HB2 LYS 32 HB2 LYS 32 18.202 6.745 -15.564 235 HB3 LYS 32 HB3 LYS 32 17.163 8.112 -15.946 236 HG2 LYS 32 HG2 LYS 32 18.449 9.292 -14.024 237 HG3 LYS 32 HG3 LYS 32 19.650 8.027 -14.298 238 HD2 LYS 32 HD2 LYS 32 19.914 8.691 -16.588 239 HD3 LYS 32 HD3 LYS 32 18.569 9.826 -16.463 240 HE2 LYS 32 HE2 LYS 32 19.796 11.240 -14.995 241 HE3 LYS 32 HE3 LYS 32 21.067 10.035 -14.796 242 HZ1 LYS 32 HZ1 LYS 32 20.459 11.159 -17.454 243 HZ2 LYS 32 HZ2 LYS 32 21.886 10.429 -16.911 244 HZ3 LYS 32 HZ3 LYS 32 21.475 11.983 -16.381 245 H ARG 33 H ARG 33 14.814 8.672 -14.669 246 HA ARG 33 HA ARG 33 12.721 6.859 -14.648 247 HB2 ARG 33 HB2 ARG 33 12.557 9.367 -14.818 248 HB3 ARG 33 HB3 ARG 33 12.942 9.211 -16.528 249 HG2 ARG 33 HG2 ARG 33 10.933 7.732 -16.752 250 HG3 ARG 33 HG3 ARG 33 10.518 8.164 -15.093 251 HD2 ARG 33 HD2 ARG 33 11.013 10.247 -17.197 252 HD3 ARG 33 HD3 ARG 33 9.429 9.502 -16.984 253 HE ARG 33 HE ARG 33 10.241 10.394 -14.489 254 HH11 ARG 33 HH11 ARG 33 9.494 11.757 -17.605 255 HH12 ARG 33 HH12 ARG 33 8.946 13.269 -16.956 256 HH21 ARG 33 HH21 ARG 33 9.522 12.378 -13.624 257 HH22 ARG 33 HH22 ARG 33 8.962 13.621 -14.694 258 H ASP 34 H ASP 34 15.082 7.523 -17.145 259 HA ASP 34 HA ASP 34 13.779 6.204 -19.276 260 HB2 ASP 34 HB2 ASP 34 16.731 6.671 -18.795 261 HB3 ASP 34 HB3 ASP 34 16.029 6.135 -20.320 262 H GLU 35 H GLU 35 15.579 5.055 -16.552 263 HA GLU 35 HA GLU 35 16.350 2.532 -17.552 264 HB2 GLU 35 HB2 GLU 35 15.740 3.347 -14.704 265 HB3 GLU 35 HB3 GLU 35 16.600 1.892 -15.189 266 HG2 GLU 35 HG2 GLU 35 17.518 4.714 -15.689 267 HG3 GLU 35 HG3 GLU 35 18.115 3.645 -14.421 268 H CYS 36 H CYS 36 13.363 3.739 -16.199 269 HA CYS 36 HA CYS 36 12.159 1.202 -15.735 270 HB2 CYS 36 HB2 CYS 36 11.536 3.725 -14.991 271 HB3 CYS 36 HB3 CYS 36 10.408 3.516 -16.326 272 H CYS 37 H CYS 37 11.423 -0.194 -17.180 273 HA CYS 37 HA CYS 37 11.196 0.567 -19.964 274 HB2 CYS 37 HB2 CYS 37 11.488 -1.914 -18.453 275 HB3 CYS 37 HB3 CYS 37 10.323 -2.053 -19.763 276 H LYS 38 H LYS 38 9.231 -0.743 -21.077 277 HA LYS 38 HA LYS 38 6.810 0.327 -19.791 278 HB2 LYS 38 HB2 LYS 38 7.093 -0.423 -22.697 279 HB3 LYS 38 HB3 LYS 38 5.851 0.575 -21.953 280 HG2 LYS 38 HG2 LYS 38 7.986 2.041 -21.322 281 HG3 LYS 38 HG3 LYS 38 8.603 1.267 -22.783 282 HD2 LYS 38 HD2 LYS 38 7.046 2.279 -24.139 283 HD3 LYS 38 HD3 LYS 38 5.874 2.467 -22.833 284 HE2 LYS 38 HE2 LYS 38 8.457 3.960 -22.722 285 HE3 LYS 38 HE3 LYS 38 7.166 4.542 -23.770 286 HZ1 LYS 38 HZ1 LYS 38 5.870 5.108 -22.020 287 HZ2 LYS 38 HZ2 LYS 38 7.372 5.277 -21.259 288 HZ3 LYS 38 HZ3 LYS 38 6.455 3.875 -21.019 289 H ALA 39 H ALA 39 4.928 -0.914 -19.690 290 HA ALA 39 HA ALA 39 5.336 -3.714 -19.341 291 HB1 ALA 39 HB1 ALA 39 2.871 -3.744 -18.905 292 HB2 ALA 39 HB2 ALA 39 3.788 -2.621 -17.899 293 HB3 ALA 39 HB3 ALA 39 2.851 -2.017 -19.265 294 H ASP 40 H ASP 40 3.741 -5.310 -20.329 295 HA ASP 40 HA ASP 40 4.204 -5.593 -23.034 296 HB2 ASP 40 HB2 ASP 40 2.133 -6.756 -21.199 297 HB3 ASP 40 HB3 ASP 40 2.105 -7.130 -22.920 298 H ASP 41 H ASP 41 1.459 -4.085 -21.406 299 HA ASP 41 HA ASP 41 0.478 -3.178 -24.032 300 HB2 ASP 41 HB2 ASP 41 -0.967 -4.644 -22.362 301 HB3 ASP 41 HB3 ASP 41 -1.259 -3.077 -21.606 302 H GLN 42 H GLN 42 2.473 -1.685 -23.279 303 HA GLN 42 HA GLN 42 2.170 0.320 -21.409 304 HB2 GLN 42 HB2 GLN 42 3.826 1.544 -22.597 305 HB3 GLN 42 HB3 GLN 42 4.203 -0.158 -22.825 306 HG2 GLN 42 HG2 GLN 42 3.225 -0.109 -25.039 307 HG3 GLN 42 HG3 GLN 42 2.754 1.575 -24.814 308 HE21 GLN 42 HE21 GLN 42 4.072 3.027 -25.632 309 HE22 GLN 42 HE22 GLN 42 5.749 2.805 -25.977 310 H LYS 43 H LYS 43 0.667 -0.017 -24.534 311 HA LYS 43 HA LYS 43 -0.164 2.599 -25.003 312 HB2 LYS 43 HB2 LYS 43 -1.584 0.012 -25.662 313 HB3 LYS 43 HB3 LYS 43 -1.989 1.581 -26.343 314 HG2 LYS 43 HG2 LYS 43 -0.090 1.662 -27.642 315 HG3 LYS 43 HG3 LYS 43 0.792 0.535 -26.608 316 HD2 LYS 43 HD2 LYS 43 -0.260 -1.320 -27.514 317 HD3 LYS 43 HD3 LYS 43 -1.640 -0.382 -28.090 318 HE2 LYS 43 HE2 LYS 43 1.132 -0.021 -29.198 319 HE3 LYS 43 HE3 LYS 43 0.008 -1.217 -29.841 320 HZ1 LYS 43 HZ1 LYS 43 0.099 1.097 -30.914 321 HZ2 LYS 43 HZ2 LYS 43 -0.803 1.604 -29.576 322 HZ3 LYS 43 HZ3 LYS 43 -1.418 0.413 -30.609 323 H THR 44 H THR 44 -1.414 0.179 -22.821 324 HA THR 44 HA THR 44 -3.624 1.972 -22.075 325 HB THR 44 HB THR 44 -4.361 -0.133 -20.736 326 HG1 THR 44 HG1 THR 44 -3.456 -2.014 -21.328 327 HG21 THR 44 HG21 THR 44 -4.692 0.625 -23.529 328 HG22 THR 44 HG22 THR 44 -5.897 0.110 -22.350 329 HG23 THR 44 HG23 THR 44 -4.977 -1.092 -23.252 330 H TYR 45 H TYR 45 -0.910 0.126 -20.770 331 HA TYR 45 HA TYR 45 -1.320 1.348 -18.141 332 HB2 TYR 45 HB2 TYR 45 0.788 -0.690 -18.828 333 HB3 TYR 45 HB3 TYR 45 0.102 -0.316 -17.252 334 HD1 TYR 45 HD1 TYR 45 -2.807 -0.331 -17.977 335 HD2 TYR 45 HD2 TYR 45 0.349 -2.990 -19.012 336 HE1 TYR 45 HE1 TYR 45 -4.440 -2.151 -18.252 337 HE2 TYR 45 HE2 TYR 45 -1.274 -4.818 -19.290 338 HH TYR 45 HH TYR 45 -4.575 -4.510 -18.302 339 H SER 46 H SER 46 0.066 2.792 -17.256 340 HA SER 46 HA SER 46 2.169 3.835 -19.014 341 HB2 SER 46 HB2 SER 46 0.949 5.694 -18.474 342 HB3 SER 46 HB3 SER 46 0.404 5.023 -16.938 343 HG SER 46 HG SER 46 1.915 6.778 -16.729 344 H SER 47 H SER 47 4.238 3.496 -18.563 345 HA SER 47 HA SER 47 4.937 2.477 -15.894 346 HB2 SER 47 HB2 SER 47 6.830 1.393 -16.907 347 HB3 SER 47 HB3 SER 47 5.415 1.024 -17.893 348 HG SER 47 HG SER 47 6.114 2.411 -19.434 349 H GLY 48 H GLY 48 6.828 3.234 -14.845 350 HA2 GLY 48 HA2 GLY 48 8.581 5.180 -15.773 351 HA3 GLY 48 HA3 GLY 48 7.223 6.036 -15.056 352 H CYS 49 H CYS 49 9.907 6.139 -14.129 353 HA CYS 49 HA CYS 49 9.565 4.916 -11.472 354 HB2 CYS 49 HB2 CYS 49 11.395 3.921 -13.009 355 HB3 CYS 49 HB3 CYS 49 12.274 5.411 -12.679 356 H ALA 50 H ALA 50 9.023 6.557 -10.180 357 HA ALA 50 HA ALA 50 10.716 8.966 -10.241 358 HB1 ALA 50 HB1 ALA 50 7.736 8.770 -10.166 359 HB2 ALA 50 HB2 ALA 50 8.551 10.140 -9.409 360 HB3 ALA 50 HB3 ALA 50 8.769 9.826 -11.130 361 H GLN 51 H GLN 51 11.013 10.028 -8.224 362 HA GLN 51 HA GLN 51 11.434 8.332 -6.046 363 HB2 GLN 51 HB2 GLN 51 11.706 10.472 -4.739 364 HB3 GLN 51 HB3 GLN 51 12.703 10.342 -6.182 365 HG2 GLN 51 HG2 GLN 51 11.204 11.786 -7.398 366 HG3 GLN 51 HG3 GLN 51 10.100 11.844 -6.025 367 HE21 GLN 51 HE21 GLN 51 13.566 12.335 -6.628 368 HE22 GLN 51 HE22 GLN 51 13.688 13.805 -5.728 369 H THR 52 H THR 52 10.285 7.825 -4.247 370 HA THR 52 HA THR 52 7.725 9.136 -3.756 371 HB THR 52 HB THR 52 6.536 6.979 -3.548 372 HG1 THR 52 HG1 THR 52 8.363 5.623 -3.253 373 HG21 THR 52 HG21 THR 52 7.690 7.047 -6.312 374 HG22 THR 52 HG22 THR 52 6.719 8.396 -5.722 375 HG23 THR 52 HG23 THR 52 6.024 6.778 -5.804 376 H TRP 53 H TRP 53 7.344 9.394 -1.644 377 HA TRP 53 HA TRP 53 9.228 8.906 0.312 378 HB2 TRP 53 HB2 TRP 53 7.465 10.503 0.688 379 HB3 TRP 53 HB3 TRP 53 6.236 9.246 0.573 380 HD1 TRP 53 HD1 TRP 53 5.851 7.699 2.704 381 HE1 TRP 53 HE1 TRP 53 6.548 7.942 5.170 382 HE3 TRP 53 HE3 TRP 53 9.363 11.380 2.195 383 HZ2 TRP 53 HZ2 TRP 53 8.348 9.491 6.697 384 HZ3 TRP 53 HZ3 TRP 53 10.526 12.186 4.208 385 HH2 TRP 53 HH2 TRP 53 10.027 11.260 6.411 386 H SER 54 H SER 54 10.031 7.008 0.914 387 HA SER 54 HA SER 54 8.188 4.725 1.190 388 HB2 SER 54 HB2 SER 54 9.939 4.367 -0.494 389 HB3 SER 54 HB3 SER 54 11.179 4.711 0.711 390 HG SER 54 HG SER 54 10.453 2.397 0.212 391 H ALA 55 H ALA 55 7.634 4.399 3.236 392 HA ALA 55 HA ALA 55 9.073 5.395 5.459 393 HB1 ALA 55 HB1 ALA 55 7.246 4.838 6.621 394 HB2 ALA 55 HB2 ALA 55 6.539 4.437 5.055 395 HB3 ALA 55 HB3 ALA 55 7.273 3.174 6.040 396 H MET 56 H MET 56 8.928 2.232 3.906 397 HA MET 56 HA MET 56 10.347 0.787 5.857 398 HB2 MET 56 HB2 MET 56 9.851 0.387 2.924 399 HB3 MET 56 HB3 MET 56 10.926 -0.695 3.800 400 HG2 MET 56 HG2 MET 56 8.964 -0.967 5.440 401 HG3 MET 56 HG3 MET 56 7.986 -0.278 4.146 402 HE1 MET 56 HE1 MET 56 10.582 -3.994 3.796 403 HE2 MET 56 HE2 MET 56 10.760 -2.631 4.900 404 HE3 MET 56 HE3 MET 56 9.612 -3.920 5.267 405 H GLU 57 H GLU 57 11.480 2.279 2.823 406 HA GLU 57 HA GLU 57 14.220 1.702 3.315 407 HB2 GLU 57 HB2 GLU 57 13.115 3.851 1.506 408 HB3 GLU 57 HB3 GLU 57 14.686 3.071 1.395 409 HG2 GLU 57 HG2 GLU 57 12.086 1.601 1.071 410 HG3 GLU 57 HG3 GLU 57 12.978 2.315 -0.272 411 H GLY 58 H GLY 58 12.115 4.400 4.064 412 HA2 GLY 58 HA2 GLY 58 12.424 6.059 5.653 413 HA3 GLY 58 HA3 GLY 58 14.026 5.409 5.971 414 H GLY 59 H GLY 59 12.873 6.369 2.792 415 HA2 GLY 59 HA2 GLY 59 13.866 8.995 2.768 416 HA3 GLY 59 HA3 GLY 59 15.147 7.920 2.232 417 H PHE 60 H PHE 60 13.653 10.013 0.781 418 HA PHE 60 HA PHE 60 11.782 8.966 -0.997 419 HB2 PHE 60 HB2 PHE 60 13.727 11.248 -1.176 420 HB3 PHE 60 HB3 PHE 60 12.716 10.826 -2.554 421 HD1 PHE 60 HD1 PHE 60 12.947 12.831 0.286 422 HD2 PHE 60 HD2 PHE 60 10.149 10.529 -1.948 423 HE1 PHE 60 HE1 PHE 60 11.105 14.150 1.243 424 HE2 PHE 60 HE2 PHE 60 8.302 11.846 -0.995 425 HZ PHE 60 HZ PHE 60 8.778 13.659 0.602 426 H VAL 61 H VAL 61 11.951 7.412 -2.459 427 HA VAL 61 HA VAL 61 14.472 7.098 -3.929 428 HB VAL 61 HB VAL 61 14.098 4.589 -3.830 429 HG11 VAL 61 HG11 VAL 61 14.766 4.881 -1.135 430 HG12 VAL 61 HG12 VAL 61 15.872 4.829 -2.509 431 HG13 VAL 61 HG13 VAL 61 15.284 6.380 -1.908 432 HG21 VAL 61 HG21 VAL 61 12.550 5.141 -1.326 433 HG22 VAL 61 HG22 VAL 61 11.727 4.967 -2.877 434 HG23 VAL 61 HG23 VAL 61 12.695 3.638 -2.237 435 H ARG 62 H ARG 62 14.273 6.407 -6.042 436 HA ARG 62 HA ARG 62 11.632 6.724 -7.197 437 HB2 ARG 62 HB2 ARG 62 14.377 6.384 -8.404 438 HB3 ARG 62 HB3 ARG 62 12.912 6.474 -9.370 439 HG2 ARG 62 HG2 ARG 62 12.646 8.695 -9.019 440 HG3 ARG 62 HG3 ARG 62 13.359 8.639 -7.406 441 HD2 ARG 62 HD2 ARG 62 14.886 8.398 -9.996 442 HD3 ARG 62 HD3 ARG 62 14.755 9.867 -9.029 443 HE ARG 62 HE ARG 62 16.440 7.601 -8.513 444 HH11 ARG 62 HH11 ARG 62 14.779 10.309 -7.088 445 HH12 ARG 62 HH12 ARG 62 15.838 10.406 -5.721 446 HH21 ARG 62 HH21 ARG 62 17.841 7.718 -6.716 447 HH22 ARG 62 HH22 ARG 62 17.579 8.933 -5.510 448 H GLU 63 H GLU 63 10.320 5.024 -7.254 449 HA GLU 63 HA GLU 63 11.479 2.381 -7.852 450 HB2 GLU 63 HB2 GLU 63 9.509 1.425 -6.681 451 HB3 GLU 63 HB3 GLU 63 10.533 2.396 -5.633 452 HG2 GLU 63 HG2 GLU 63 8.960 4.289 -5.939 453 HG3 GLU 63 HG3 GLU 63 7.907 3.210 -6.852 454 H CYS 64 H CYS 64 10.715 1.258 -9.553 455 HA CYS 64 HA CYS 64 9.218 2.569 -11.548 456 HB2 CYS 64 HB2 CYS 64 10.372 -0.131 -11.162 457 HB3 CYS 64 HB3 CYS 64 9.041 -0.017 -12.309 458 H TYR 65 H TYR 65 7.099 2.574 -12.048 459 HA TYR 65 HA TYR 65 5.303 0.797 -10.544 460 HB2 TYR 65 HB2 TYR 65 3.707 2.715 -10.326 461 HB3 TYR 65 HB3 TYR 65 5.186 2.901 -9.389 462 HD1 TYR 65 HD1 TYR 65 3.589 3.905 -12.598 463 HD2 TYR 65 HD2 TYR 65 6.504 4.816 -9.634 464 HE1 TYR 65 HE1 TYR 65 3.982 6.085 -13.664 465 HE2 TYR 65 HE2 TYR 65 6.905 7.000 -10.692 466 HH TYR 65 HH TYR 65 5.284 8.586 -12.309 467 H ILE 66 H ILE 66 3.402 0.207 -11.599 468 HA ILE 66 HA ILE 66 3.060 1.136 -14.361 469 HB ILE 66 HB ILE 66 3.132 -1.766 -13.528 470 HG12 ILE 66 HG12 ILE 66 4.857 -0.323 -15.544 471 HG13 ILE 66 HG13 ILE 66 5.334 -0.567 -13.867 472 HG21 ILE 66 HG21 ILE 66 2.183 -0.404 -16.011 473 HG22 ILE 66 HG22 ILE 66 2.891 -2.015 -16.107 474 HG23 ILE 66 HG23 ILE 66 1.458 -1.740 -15.117 475 HD11 ILE 66 HD11 ILE 66 6.339 -2.227 -15.321 476 HD12 ILE 66 HD12 ILE 66 5.216 -2.982 -14.191 477 HD13 ILE 66 HD13 ILE 66 4.742 -2.733 -15.870 478 H CYS 67 H CYS 67 1.093 1.995 -14.399 479 HA CYS 67 HA CYS 67 -1.140 0.429 -13.324 480 HB2 CYS 67 HB2 CYS 67 -0.191 2.628 -11.986 481 HB3 CYS 67 HB3 CYS 67 -1.457 3.331 -12.990 482 H ALA 68 H ALA 68 -3.189 0.912 -14.285 483 HA ALA 68 HA ALA 68 -3.020 1.434 -17.073 484 HB1 ALA 68 HB1 ALA 68 -5.149 0.706 -15.160 485 HB2 ALA 68 HB2 ALA 68 -5.663 1.508 -16.645 486 HB3 ALA 68 HB3 ALA 68 -4.740 0.008 -16.727 487 H VAL 69 H VAL 69 -3.485 3.225 -18.238 488 HA VAL 69 HA VAL 69 -3.528 5.748 -16.893 489 HB VAL 69 HB VAL 69 -4.024 5.263 -19.829 490 HG11 VAL 69 HG11 VAL 69 -4.087 7.584 -18.312 491 HG12 VAL 69 HG12 VAL 69 -2.500 7.608 -19.081 492 HG13 VAL 69 HG13 VAL 69 -3.958 7.477 -20.067 493 HG21 VAL 69 HG21 VAL 69 -1.985 4.327 -19.842 494 HG22 VAL 69 HG22 VAL 69 -1.397 5.977 -19.635 495 HG23 VAL 69 HG23 VAL 69 -1.593 4.928 -18.231 496 H GLU 70 H GLU 70 -5.870 3.950 -18.869 497 HA GLU 70 HA GLU 70 -7.924 5.914 -18.591 498 HB2 GLU 70 HB2 GLU 70 -9.397 4.140 -19.545 499 HB3 GLU 70 HB3 GLU 70 -7.967 4.475 -20.512 500 HG2 GLU 70 HG2 GLU 70 -6.886 2.491 -19.697 501 HG3 GLU 70 HG3 GLU 70 -8.212 2.184 -18.576 502 H SER 71 H SER 71 -7.038 2.978 -16.883 503 HA SER 71 HA SER 71 -9.379 3.222 -15.144 504 HB2 SER 71 HB2 SER 71 -7.444 1.045 -15.777 505 HB3 SER 71 HB3 SER 71 -8.174 1.047 -14.171 506 HG SER 71 HG SER 71 -9.366 -0.137 -15.799 507 H SER 72 H SER 72 -8.224 5.322 -14.466 508 HA SER 72 HA SER 72 -5.912 5.337 -12.919 509 HB2 SER 72 HB2 SER 72 -8.270 7.115 -13.211 510 HB3 SER 72 HB3 SER 72 -7.300 7.330 -11.754 511 HG SER 72 HG SER 72 -6.756 8.072 -14.291 512 H MET 73 H MET 73 -9.165 4.380 -12.114 513 HA MET 73 HA MET 73 -9.191 4.515 -9.369 514 HB2 MET 73 HB2 MET 73 -10.824 2.748 -9.394 515 HB3 MET 73 HB3 MET 73 -11.079 3.758 -10.811 516 HG2 MET 73 HG2 MET 73 -9.946 2.123 -12.203 517 HG3 MET 73 HG3 MET 73 -9.630 1.122 -10.789 518 HE1 MET 73 HE1 MET 73 -13.703 1.832 -12.788 519 HE2 MET 73 HE2 MET 73 -13.092 3.059 -11.678 520 HE3 MET 73 HE3 MET 73 -12.189 2.666 -13.142 521 H CYS 74 H CYS 74 -7.492 2.248 -11.425 522 HA CYS 74 HA CYS 74 -6.872 0.219 -9.669 523 HB2 CYS 74 HB2 CYS 74 -5.049 -0.318 -11.082 524 HB3 CYS 74 HB3 CYS 74 -6.255 0.420 -12.132 Start of MODEL 5 1 H1 SER 1 H SER 1 3.003 0.638 0.559 2 HA SER 1 HA SER 1 1.308 0.656 -1.777 3 HB2 SER 1 HB2 SER 1 3.404 0.930 -3.028 4 HB3 SER 1 HB3 SER 1 3.327 2.064 -1.681 5 HG SER 1 HG SER 1 5.150 0.150 -2.187 6 H ASN 2 H ASN 2 0.396 -1.242 -2.290 7 HA ASN 2 HA ASN 2 1.759 -3.750 -1.913 8 HB2 ASN 2 HB2 ASN 2 -0.878 -3.089 -3.242 9 HB3 ASN 2 HB3 ASN 2 -0.285 -4.723 -2.951 10 HD21 ASN 2 HD21 ASN 2 -2.698 -3.861 -1.961 11 HD22 ASN 2 HD22 ASN 2 -2.607 -3.755 -0.239 12 H ARG 3 H ARG 3 2.237 -5.265 -3.594 13 HA ARG 3 HA ARG 3 3.763 -4.282 -5.676 14 HB2 ARG 3 HB2 ARG 3 2.557 -6.916 -5.028 15 HB3 ARG 3 HB3 ARG 3 3.120 -6.687 -6.679 16 HG2 ARG 3 HG2 ARG 3 4.989 -7.563 -5.694 17 HG3 ARG 3 HG3 ARG 3 5.294 -5.835 -5.504 18 HD2 ARG 3 HD2 ARG 3 4.824 -5.865 -3.242 19 HD3 ARG 3 HD3 ARG 3 3.838 -7.324 -3.364 20 HE ARG 3 HE ARG 3 6.560 -7.847 -4.006 21 HH11 ARG 3 HH11 ARG 3 4.379 -7.322 -1.344 22 HH12 ARG 3 HH12 ARG 3 5.330 -8.230 -0.216 23 HH21 ARG 3 HH21 ARG 3 7.821 -9.045 -2.530 24 HH22 ARG 3 HH22 ARG 3 7.288 -9.209 -0.891 25 H TRP 4 H TRP 4 0.342 -5.087 -5.620 26 HA TRP 4 HA TRP 4 -0.204 -5.047 -8.348 27 HB2 TRP 4 HB2 TRP 4 -2.045 -3.991 -6.196 28 HB3 TRP 4 HB3 TRP 4 -2.502 -4.673 -7.754 29 HD1 TRP 4 HD1 TRP 4 -2.831 -5.648 -4.414 30 HE1 TRP 4 HE1 TRP 4 -2.656 -8.190 -4.055 31 HE3 TRP 4 HE3 TRP 4 -0.620 -6.940 -8.838 32 HZ2 TRP 4 HZ2 TRP 4 -1.706 -10.445 -5.463 33 HZ3 TRP 4 HZ3 TRP 4 -0.111 -9.311 -9.254 34 HH2 TRP 4 HH2 TRP 4 -0.643 -11.025 -7.600 35 H ASN 5 H ASN 5 0.127 -2.396 -6.054 36 HA ASN 5 HA ASN 5 -0.867 -0.317 -7.628 37 HB2 ASN 5 HB2 ASN 5 1.320 -0.289 -5.539 38 HB3 ASN 5 HB3 ASN 5 0.584 1.158 -6.220 39 HD21 ASN 5 HD21 ASN 5 -0.125 1.777 -4.164 40 HD22 ASN 5 HD22 ASN 5 -1.483 1.020 -3.410 41 H LEU 6 H LEU 6 2.276 -1.880 -7.602 42 HA LEU 6 HA LEU 6 3.343 0.005 -9.547 43 HB2 LEU 6 HB2 LEU 6 4.586 -2.435 -8.285 44 HB3 LEU 6 HB3 LEU 6 5.417 -1.288 -9.333 45 HG LEU 6 HG LEU 6 6.103 -0.695 -7.189 46 HD11 LEU 6 HD11 LEU 6 3.712 1.092 -7.512 47 HD12 LEU 6 HD12 LEU 6 5.100 1.171 -8.596 48 HD13 LEU 6 HD13 LEU 6 5.307 1.489 -6.875 49 HD21 LEU 6 HD21 LEU 6 4.243 -2.141 -6.146 50 HD22 LEU 6 HD22 LEU 6 3.305 -0.647 -6.118 51 HD23 LEU 6 HD23 LEU 6 4.834 -0.746 -5.242 52 H GLY 7 H GLY 7 1.180 -2.233 -9.916 53 HA2 GLY 7 HA2 GLY 7 0.521 -3.637 -11.608 54 HA3 GLY 7 HA3 GLY 7 1.565 -2.663 -12.634 55 H TYR 8 H TYR 8 2.706 -4.547 -9.903 56 HA TYR 8 HA TYR 8 4.745 -5.790 -11.377 57 HB2 TYR 8 HB2 TYR 8 4.993 -5.565 -9.006 58 HB3 TYR 8 HB3 TYR 8 3.514 -6.471 -8.703 59 HD1 TYR 8 HD1 TYR 8 6.402 -7.224 -10.943 60 HD2 TYR 8 HD2 TYR 8 4.135 -8.374 -7.531 61 HE1 TYR 8 HE1 TYR 8 7.712 -9.299 -10.779 62 HE2 TYR 8 HE2 TYR 8 5.440 -10.452 -7.357 63 HH TYR 8 HH TYR 8 6.805 -11.889 -8.731 64 H GLY 9 H GLY 9 1.561 -6.963 -10.346 65 HA2 GLY 9 HA2 GLY 9 1.769 -9.610 -11.168 66 HA3 GLY 9 HA3 GLY 9 0.268 -8.696 -11.118 67 H ILE 10 H ILE 10 0.844 -6.761 -13.061 68 HA ILE 10 HA ILE 10 0.014 -7.985 -15.391 69 HB ILE 10 HB ILE 10 1.626 -5.439 -15.191 70 HG12 ILE 10 HG12 ILE 10 -1.366 -5.889 -15.138 71 HG13 ILE 10 HG13 ILE 10 -0.375 -5.396 -13.768 72 HG21 ILE 10 HG21 ILE 10 -0.275 -6.347 -17.347 73 HG22 ILE 10 HG22 ILE 10 0.645 -4.843 -17.315 74 HG23 ILE 10 HG23 ILE 10 1.485 -6.387 -17.465 75 HD11 ILE 10 HD11 ILE 10 0.224 -3.490 -15.627 76 HD12 ILE 10 HD12 ILE 10 -1.479 -3.817 -15.952 77 HD13 ILE 10 HD13 ILE 10 -0.967 -3.327 -14.336 78 HA PRO 11 HA PRO 11 3.632 -10.053 -16.871 79 HB2 PRO 11 HB2 PRO 11 2.739 -10.560 -19.385 80 HB3 PRO 11 HB3 PRO 11 2.180 -11.458 -17.968 81 HG2 PRO 11 HG2 PRO 11 0.867 -9.187 -19.410 82 HG3 PRO 11 HG3 PRO 11 0.146 -10.681 -18.784 83 HD2 PRO 11 HD2 PRO 11 -0.030 -8.316 -17.475 84 HD3 PRO 11 HD3 PRO 11 0.043 -9.875 -16.627 85 H HIS 12 H HIS 12 5.438 -8.977 -17.343 86 HA HIS 12 HA HIS 12 5.352 -6.949 -19.478 87 HB2 HIS 12 HB2 HIS 12 7.438 -7.049 -17.310 88 HB3 HIS 12 HB3 HIS 12 7.015 -5.700 -18.360 89 HD1 HIS 12 HD1 HIS 12 6.796 -6.445 -15.008 90 HD2 HIS 12 HD2 HIS 12 3.952 -5.209 -17.773 91 HE1 HIS 12 HE1 HIS 12 4.937 -5.432 -13.652 92 H LYS 13 H LYS 13 7.361 -6.696 -20.722 93 HA LYS 13 HA LYS 13 8.712 -9.291 -21.080 94 HB2 LYS 13 HB2 LYS 13 7.200 -8.223 -22.938 95 HB3 LYS 13 HB3 LYS 13 8.606 -7.207 -23.229 96 HG2 LYS 13 HG2 LYS 13 8.994 -8.900 -24.709 97 HG3 LYS 13 HG3 LYS 13 9.866 -9.503 -23.298 98 HD2 LYS 13 HD2 LYS 13 8.668 -11.374 -23.822 99 HD3 LYS 13 HD3 LYS 13 7.504 -10.577 -22.760 100 HE2 LYS 13 HE2 LYS 13 6.237 -11.198 -24.620 101 HE3 LYS 13 HE3 LYS 13 6.592 -9.493 -24.899 102 HZ1 LYS 13 HZ1 LYS 13 8.552 -10.336 -26.245 103 HZ2 LYS 13 HZ2 LYS 13 7.017 -10.541 -26.923 104 HZ3 LYS 13 HZ3 LYS 13 7.805 -11.854 -26.204 105 H GLN 14 H GLN 14 10.687 -9.245 -20.236 106 HA GLN 14 HA GLN 14 12.142 -6.856 -19.752 107 HB2 GLN 14 HB2 GLN 14 12.268 -9.245 -18.632 108 HB3 GLN 14 HB3 GLN 14 13.507 -9.509 -19.850 109 HG2 GLN 14 HG2 GLN 14 13.805 -6.993 -18.405 110 HG3 GLN 14 HG3 GLN 14 13.907 -8.423 -17.378 111 HE21 GLN 14 HE21 GLN 14 15.570 -6.387 -19.439 112 HE22 GLN 14 HE22 GLN 14 16.982 -7.354 -19.681 113 H VAL 15 H VAL 15 13.863 -5.957 -20.816 114 HA VAL 15 HA VAL 15 14.935 -7.240 -23.193 115 HB VAL 15 HB VAL 15 14.549 -5.216 -24.596 116 HG11 VAL 15 HG11 VAL 15 13.112 -7.316 -24.604 117 HG12 VAL 15 HG12 VAL 15 11.931 -6.378 -23.690 118 HG13 VAL 15 HG13 VAL 15 12.403 -5.863 -25.309 119 HG21 VAL 15 HG21 VAL 15 12.624 -3.749 -23.866 120 HG22 VAL 15 HG22 VAL 15 12.826 -4.436 -22.255 121 HG23 VAL 15 HG23 VAL 15 14.140 -3.521 -22.995 122 H LYS 16 H LYS 16 16.684 -5.840 -24.191 123 HA LYS 16 HA LYS 16 18.296 -4.738 -22.020 124 HB2 LYS 16 HB2 LYS 16 19.177 -5.202 -24.865 125 HB3 LYS 16 HB3 LYS 16 20.185 -5.042 -23.433 126 HG2 LYS 16 HG2 LYS 16 18.602 -7.192 -22.812 127 HG3 LYS 16 HG3 LYS 16 18.870 -7.389 -24.546 128 HD2 LYS 16 HD2 LYS 16 21.036 -6.975 -22.485 129 HD3 LYS 16 HD3 LYS 16 20.583 -8.530 -23.186 130 HE2 LYS 16 HE2 LYS 16 21.546 -6.159 -24.779 131 HE3 LYS 16 HE3 LYS 16 22.582 -7.479 -24.239 132 HZ1 LYS 16 HZ1 LYS 16 21.893 -7.858 -26.492 133 HZ2 LYS 16 HZ2 LYS 16 20.261 -7.697 -26.078 134 HZ3 LYS 16 HZ3 LYS 16 21.154 -9.011 -25.499 135 H LEU 17 H LEU 17 19.043 -2.661 -21.951 136 HA LEU 17 HA LEU 17 17.733 -0.774 -23.762 137 HB2 LEU 17 HB2 LEU 17 19.091 -0.448 -21.098 138 HB3 LEU 17 HB3 LEU 17 18.572 0.920 -22.080 139 HG LEU 17 HG LEU 17 16.557 -1.154 -21.369 140 HD11 LEU 17 HD11 LEU 17 16.092 0.059 -19.259 141 HD12 LEU 17 HD12 LEU 17 17.604 0.942 -19.472 142 HD13 LEU 17 HD13 LEU 17 17.628 -0.807 -19.247 143 HD21 LEU 17 HD21 LEU 17 16.006 0.709 -22.870 144 HD22 LEU 17 HD22 LEU 17 16.453 1.852 -21.604 145 HD23 LEU 17 HD23 LEU 17 15.077 0.772 -21.372 146 HA PRO 18 HA PRO 18 21.385 0.336 -25.926 147 HB2 PRO 18 HB2 PRO 18 21.023 3.003 -26.288 148 HB3 PRO 18 HB3 PRO 18 20.086 1.780 -27.155 149 HG2 PRO 18 HG2 PRO 18 19.337 3.374 -24.734 150 HG3 PRO 18 HG3 PRO 18 18.361 2.982 -26.162 151 HD2 PRO 18 HD2 PRO 18 18.119 1.643 -23.821 152 HD3 PRO 18 HD3 PRO 18 17.862 0.865 -25.396 153 H ASN 19 H ASN 19 20.708 1.672 -22.846 154 HA ASN 19 HA ASN 19 23.076 3.269 -22.609 155 HB2 ASN 19 HB2 ASN 19 21.547 2.201 -20.257 156 HB3 ASN 19 HB3 ASN 19 22.369 3.748 -20.435 157 HD21 ASN 19 HD21 ASN 19 19.431 2.215 -20.435 158 HD22 ASN 19 HD22 ASN 19 18.484 3.437 -21.206 159 H GLY 20 H GLY 20 22.355 -0.064 -22.318 160 HA2 GLY 20 HA2 GLY 20 24.255 -1.590 -22.320 161 HA3 GLY 20 HA3 GLY 20 25.038 -0.517 -21.170 162 H GLN 21 H GLN 21 22.373 -0.217 -19.763 163 HA GLN 21 HA GLN 21 22.659 -2.625 -18.129 164 HB2 GLN 21 HB2 GLN 21 21.116 -0.102 -17.514 165 HB3 GLN 21 HB3 GLN 21 21.505 -1.398 -16.391 166 HG2 GLN 21 HG2 GLN 21 23.487 0.430 -17.729 167 HG3 GLN 21 HG3 GLN 21 22.937 0.540 -16.058 168 HE21 GLN 21 HE21 GLN 21 23.350 -1.371 -14.697 169 HE22 GLN 21 HE22 GLN 21 24.817 -2.248 -14.945 170 H LEU 22 H LEU 22 20.597 -3.466 -17.123 171 HA LEU 22 HA LEU 22 18.664 -3.906 -19.263 172 HB2 LEU 22 HB2 LEU 22 19.147 -5.263 -16.622 173 HB3 LEU 22 HB3 LEU 22 17.780 -5.651 -17.667 174 HG LEU 22 HG LEU 22 20.705 -6.032 -18.304 175 HD11 LEU 22 HD11 LEU 22 20.243 -8.366 -18.208 176 HD12 LEU 22 HD12 LEU 22 18.516 -8.078 -18.012 177 HD13 LEU 22 HD13 LEU 22 19.633 -7.645 -16.718 178 HD21 LEU 22 HD21 LEU 22 20.010 -5.722 -20.419 179 HD22 LEU 22 HD22 LEU 22 18.309 -5.939 -20.006 180 HD23 LEU 22 HD23 LEU 22 19.347 -7.346 -20.241 181 H CYS 23 H CYS 23 16.362 -3.868 -18.818 182 HA CYS 23 HA CYS 23 15.437 -1.479 -17.798 183 HB2 CYS 23 HB2 CYS 23 13.881 -4.070 -17.929 184 HB3 CYS 23 HB3 CYS 23 13.202 -2.447 -17.887 185 H LYS 24 H LYS 24 13.980 -1.105 -15.944 186 HA LYS 24 HA LYS 24 15.088 -2.362 -13.545 187 HB2 LYS 24 HB2 LYS 24 14.014 0.283 -14.212 188 HB3 LYS 24 HB3 LYS 24 13.444 -0.339 -12.669 189 HG2 LYS 24 HG2 LYS 24 16.342 -0.127 -13.462 190 HG3 LYS 24 HG3 LYS 24 15.473 1.057 -12.483 191 HD2 LYS 24 HD2 LYS 24 15.323 -0.357 -10.668 192 HD3 LYS 24 HD3 LYS 24 15.455 -1.813 -11.658 193 HE2 LYS 24 HE2 LYS 24 17.707 0.138 -11.196 194 HE3 LYS 24 HE3 LYS 24 17.462 -1.332 -10.254 195 HZ1 LYS 24 HZ1 LYS 24 17.401 -2.294 -12.742 196 HZ2 LYS 24 HZ2 LYS 24 18.803 -2.216 -11.800 197 HZ3 LYS 24 HZ3 LYS 24 18.485 -1.011 -12.944 198 H GLU 25 H GLU 25 13.747 -3.128 -11.858 199 HA GLU 25 HA GLU 25 11.250 -4.267 -12.826 200 HB2 GLU 25 HB2 GLU 25 12.633 -4.703 -10.174 201 HB3 GLU 25 HB3 GLU 25 11.322 -5.662 -10.846 202 HG2 GLU 25 HG2 GLU 25 13.566 -5.523 -12.657 203 HG3 GLU 25 HG3 GLU 25 14.038 -6.151 -11.079 204 HA PRO 26 HA PRO 26 8.550 -1.502 -10.746 205 HB2 PRO 26 HB2 PRO 26 6.500 -3.164 -10.104 206 HB3 PRO 26 HB3 PRO 26 6.819 -2.627 -11.757 207 HG2 PRO 26 HG2 PRO 26 7.547 -5.209 -10.430 208 HG3 PRO 26 HG3 PRO 26 6.899 -4.932 -12.055 209 HD2 PRO 26 HD2 PRO 26 9.527 -5.391 -11.595 210 HD3 PRO 26 HD3 PRO 26 8.956 -4.350 -12.914 211 H GLY 27 H GLY 27 9.096 -0.697 -8.810 212 HA2 GLY 27 HA2 GLY 27 8.522 -0.722 -6.445 213 HA3 GLY 27 HA3 GLY 27 8.791 -2.459 -6.461 214 H ASP 28 H ASP 28 11.232 -2.258 -8.052 215 HA ASP 28 HA ASP 28 13.057 -1.797 -5.878 216 HB2 ASP 28 HB2 ASP 28 13.338 -2.797 -8.696 217 HB3 ASP 28 HB3 ASP 28 14.764 -2.376 -7.753 218 H SER 29 H SER 29 14.870 -0.374 -5.931 219 HA SER 29 HA SER 29 14.231 2.240 -6.806 220 HB2 SER 29 HB2 SER 29 16.205 2.926 -5.747 221 HB3 SER 29 HB3 SER 29 15.744 1.486 -4.839 222 HG SER 29 HG SER 29 17.186 0.393 -6.484 223 H CYS 30 H CYS 30 15.189 3.530 -8.395 224 HA CYS 30 HA CYS 30 16.682 2.070 -10.474 225 HB2 CYS 30 HB2 CYS 30 14.823 4.328 -11.149 226 HB3 CYS 30 HB3 CYS 30 15.417 3.033 -12.184 227 H SER 31 H SER 31 17.629 3.787 -12.096 228 HA SER 31 HA SER 31 19.075 5.744 -10.448 229 HB2 SER 31 HB2 SER 31 20.224 3.838 -11.855 230 HB3 SER 31 HB3 SER 31 19.977 4.959 -13.194 231 HG SER 31 HG SER 31 21.700 5.118 -11.040 232 H LYS 32 H LYS 32 17.196 5.344 -13.381 233 HA LYS 32 HA LYS 32 16.648 8.187 -13.429 234 HB2 LYS 32 HB2 LYS 32 18.103 6.784 -15.667 235 HB3 LYS 32 HB3 LYS 32 17.198 8.271 -15.922 236 HG2 LYS 32 HG2 LYS 32 19.525 7.925 -14.041 237 HG3 LYS 32 HG3 LYS 32 19.572 8.711 -15.622 238 HD2 LYS 32 HD2 LYS 32 17.876 10.337 -14.785 239 HD3 LYS 32 HD3 LYS 32 18.033 9.606 -13.185 240 HE2 LYS 32 HE2 LYS 32 20.118 10.475 -12.844 241 HE3 LYS 32 HE3 LYS 32 20.515 10.486 -14.562 242 HZ1 LYS 32 HZ1 LYS 32 20.016 12.627 -14.589 243 HZ2 LYS 32 HZ2 LYS 32 19.527 12.590 -12.970 244 HZ3 LYS 32 HZ3 LYS 32 18.411 12.263 -14.200 245 H ARG 33 H ARG 33 14.801 8.732 -14.657 246 HA ARG 33 HA ARG 33 12.727 6.895 -14.635 247 HB2 ARG 33 HB2 ARG 33 12.492 9.383 -14.753 248 HB3 ARG 33 HB3 ARG 33 12.932 9.299 -16.454 249 HG2 ARG 33 HG2 ARG 33 10.948 7.677 -16.668 250 HG3 ARG 33 HG3 ARG 33 10.452 8.316 -15.100 251 HD2 ARG 33 HD2 ARG 33 10.846 10.628 -16.285 252 HD3 ARG 33 HD3 ARG 33 10.611 9.675 -17.749 253 HE ARG 33 HE ARG 33 8.382 9.585 -17.271 254 HH11 ARG 33 HH11 ARG 33 10.115 10.401 -14.364 255 HH12 ARG 33 HH12 ARG 33 8.682 10.679 -13.432 256 HH21 ARG 33 HH21 ARG 33 6.488 9.949 -16.054 257 HH22 ARG 33 HH22 ARG 33 6.619 10.420 -14.394 258 H ASP 34 H ASP 34 15.052 7.619 -17.149 259 HA ASP 34 HA ASP 34 13.741 6.315 -19.283 260 HB2 ASP 34 HB2 ASP 34 16.627 7.010 -18.762 261 HB3 ASP 34 HB3 ASP 34 16.123 6.171 -20.227 262 H GLU 35 H GLU 35 15.567 5.147 -16.589 263 HA GLU 35 HA GLU 35 16.368 2.652 -17.629 264 HB2 GLU 35 HB2 GLU 35 15.752 3.412 -14.768 265 HB3 GLU 35 HB3 GLU 35 16.634 1.977 -15.277 266 HG2 GLU 35 HG2 GLU 35 17.496 4.836 -15.647 267 HG3 GLU 35 HG3 GLU 35 18.166 3.670 -14.508 268 H CYS 36 H CYS 36 13.368 3.798 -16.254 269 HA CYS 36 HA CYS 36 12.196 1.241 -15.824 270 HB2 CYS 36 HB2 CYS 36 11.541 3.752 -15.057 271 HB3 CYS 36 HB3 CYS 36 10.409 3.531 -16.387 272 H CYS 37 H CYS 37 11.452 -0.145 -17.277 273 HA CYS 37 HA CYS 37 11.225 0.645 -20.053 274 HB2 CYS 37 HB2 CYS 37 11.410 -1.893 -18.555 275 HB3 CYS 37 HB3 CYS 37 10.427 -1.952 -20.015 276 H LYS 38 H LYS 38 9.279 -0.625 -21.202 277 HA LYS 38 HA LYS 38 6.850 0.421 -19.922 278 HB2 LYS 38 HB2 LYS 38 7.140 -0.413 -22.806 279 HB3 LYS 38 HB3 LYS 38 5.888 0.594 -22.093 280 HG2 LYS 38 HG2 LYS 38 8.046 2.072 -21.499 281 HG3 LYS 38 HG3 LYS 38 8.610 1.293 -22.978 282 HD2 LYS 38 HD2 LYS 38 7.026 2.317 -24.283 283 HD3 LYS 38 HD3 LYS 38 5.876 2.474 -22.952 284 HE2 LYS 38 HE2 LYS 38 6.580 4.662 -23.332 285 HE3 LYS 38 HE3 LYS 38 7.565 4.141 -21.965 286 HZ1 LYS 38 HZ1 LYS 38 8.635 5.326 -24.012 287 HZ2 LYS 38 HZ2 LYS 38 8.620 3.770 -24.676 288 HZ3 LYS 38 HZ3 LYS 38 9.447 4.065 -23.229 289 H ALA 39 H ALA 39 4.906 -0.814 -19.968 290 HA ALA 39 HA ALA 39 5.351 -3.616 -19.497 291 HB1 ALA 39 HB1 ALA 39 3.804 -2.247 -18.126 292 HB2 ALA 39 HB2 ALA 39 2.739 -2.113 -19.525 293 HB3 ALA 39 HB3 ALA 39 3.051 -3.692 -18.802 294 H ASP 40 H ASP 40 3.808 -5.246 -20.454 295 HA ASP 40 HA ASP 40 4.193 -5.512 -23.174 296 HB2 ASP 40 HB2 ASP 40 2.200 -6.739 -21.287 297 HB3 ASP 40 HB3 ASP 40 2.172 -7.129 -23.004 298 H ASP 41 H ASP 41 1.522 -4.008 -21.453 299 HA ASP 41 HA ASP 41 0.391 -3.178 -24.046 300 HB2 ASP 41 HB2 ASP 41 -0.923 -4.626 -22.198 301 HB3 ASP 41 HB3 ASP 41 -1.286 -3.009 -21.604 302 H GLN 42 H GLN 42 2.442 -1.680 -23.264 303 HA GLN 42 HA GLN 42 2.089 0.368 -21.452 304 HB2 GLN 42 HB2 GLN 42 3.769 1.575 -22.638 305 HB3 GLN 42 HB3 GLN 42 4.161 -0.132 -22.789 306 HG2 GLN 42 HG2 GLN 42 3.216 -0.165 -25.031 307 HG3 GLN 42 HG3 GLN 42 2.788 1.538 -24.882 308 HE21 GLN 42 HE21 GLN 42 5.609 -0.583 -24.525 309 HE22 GLN 42 HE22 GLN 42 6.729 0.495 -25.279 310 H LYS 43 H LYS 43 0.663 -0.043 -24.602 311 HA LYS 43 HA LYS 43 -0.146 2.545 -25.187 312 HB2 LYS 43 HB2 LYS 43 -1.663 -0.018 -25.716 313 HB3 LYS 43 HB3 LYS 43 -1.934 1.519 -26.525 314 HG2 LYS 43 HG2 LYS 43 -0.013 1.361 -27.770 315 HG3 LYS 43 HG3 LYS 43 0.782 0.299 -26.606 316 HD2 LYS 43 HD2 LYS 43 -0.482 -1.573 -27.307 317 HD3 LYS 43 HD3 LYS 43 -1.613 -0.562 -28.209 318 HE2 LYS 43 HE2 LYS 43 1.300 -0.643 -28.912 319 HE3 LYS 43 HE3 LYS 43 0.185 -1.869 -29.511 320 HZ1 LYS 43 HZ1 LYS 43 0.611 0.738 -30.478 321 HZ2 LYS 43 HZ2 LYS 43 -0.992 0.611 -29.956 322 HZ3 LYS 43 HZ3 LYS 43 -0.390 -0.470 -31.108 323 H THR 44 H THR 44 -1.417 0.271 -22.871 324 HA THR 44 HA THR 44 -3.572 2.165 -22.200 325 HB THR 44 HB THR 44 -4.544 0.189 -20.922 326 HG1 THR 44 HG1 THR 44 -2.671 -1.223 -22.547 327 HG21 THR 44 HG21 THR 44 -4.580 0.802 -23.733 328 HG22 THR 44 HG22 THR 44 -5.890 0.234 -22.698 329 HG23 THR 44 HG23 THR 44 -4.818 -0.927 -23.483 330 H TYR 45 H TYR 45 -0.907 0.270 -20.910 331 HA TYR 45 HA TYR 45 -1.315 1.439 -18.256 332 HB2 TYR 45 HB2 TYR 45 0.783 -0.594 -18.999 333 HB3 TYR 45 HB3 TYR 45 0.126 -0.237 -17.405 334 HD1 TYR 45 HD1 TYR 45 -2.803 -0.208 -18.155 335 HD2 TYR 45 HD2 TYR 45 0.337 -2.908 -19.131 336 HE1 TYR 45 HE1 TYR 45 -4.450 -2.015 -18.428 337 HE2 TYR 45 HE2 TYR 45 -1.301 -4.722 -19.406 338 HH TYR 45 HH TYR 45 -3.813 -4.865 -19.968 339 H SER 46 H SER 46 0.098 2.834 -17.320 340 HA SER 46 HA SER 46 2.175 3.940 -19.070 341 HB2 SER 46 HB2 SER 46 0.968 5.780 -18.444 342 HB3 SER 46 HB3 SER 46 0.444 5.051 -16.925 343 HG SER 46 HG SER 46 2.570 6.670 -17.428 344 H SER 47 H SER 47 4.249 3.585 -18.664 345 HA SER 47 HA SER 47 4.988 2.479 -16.038 346 HB2 SER 47 HB2 SER 47 6.780 1.333 -17.089 347 HB3 SER 47 HB3 SER 47 5.404 1.131 -18.172 348 HG SER 47 HG SER 47 7.687 2.740 -18.470 349 H GLY 48 H GLY 48 6.810 3.252 -14.943 350 HA2 GLY 48 HA2 GLY 48 8.622 5.161 -15.852 351 HA3 GLY 48 HA3 GLY 48 7.266 6.038 -15.156 352 H CYS 49 H CYS 49 9.936 6.101 -14.188 353 HA CYS 49 HA CYS 49 9.551 4.848 -11.548 354 HB2 CYS 49 HB2 CYS 49 11.428 3.913 -13.071 355 HB3 CYS 49 HB3 CYS 49 12.272 5.413 -12.697 356 H ALA 50 H ALA 50 8.954 6.459 -10.242 357 HA ALA 50 HA ALA 50 10.577 8.919 -10.265 358 HB1 ALA 50 HB1 ALA 50 8.768 10.268 -10.245 359 HB2 ALA 50 HB2 ALA 50 7.994 8.885 -11.019 360 HB3 ALA 50 HB3 ALA 50 7.806 9.144 -9.284 361 H GLN 51 H GLN 51 10.704 10.035 -8.199 362 HA GLN 51 HA GLN 51 11.398 8.344 -6.086 363 HB2 GLN 51 HB2 GLN 51 11.466 10.422 -4.715 364 HB3 GLN 51 HB3 GLN 51 12.339 10.553 -6.236 365 HG2 GLN 51 HG2 GLN 51 11.207 12.565 -6.088 366 HG3 GLN 51 HG3 GLN 51 10.181 11.601 -7.147 367 HE21 GLN 51 HE21 GLN 51 8.487 13.069 -6.563 368 HE22 GLN 51 HE22 GLN 51 7.631 12.854 -5.077 369 H THR 52 H THR 52 10.402 7.776 -4.175 370 HA THR 52 HA THR 52 7.670 8.637 -3.670 371 HB THR 52 HB THR 52 6.849 6.302 -3.433 372 HG1 THR 52 HG1 THR 52 8.517 4.951 -3.334 373 HG21 THR 52 HG21 THR 52 6.598 7.741 -5.537 374 HG22 THR 52 HG22 THR 52 6.332 6.006 -5.707 375 HG23 THR 52 HG23 THR 52 7.854 6.720 -6.234 376 H TRP 53 H TRP 53 7.411 8.966 -1.562 377 HA TRP 53 HA TRP 53 9.377 8.632 0.340 378 HB2 TRP 53 HB2 TRP 53 7.518 10.120 0.731 379 HB3 TRP 53 HB3 TRP 53 6.380 8.776 0.703 380 HD1 TRP 53 HD1 TRP 53 6.184 7.280 2.894 381 HE1 TRP 53 HE1 TRP 53 6.964 7.647 5.318 382 HE3 TRP 53 HE3 TRP 53 9.417 11.166 2.129 383 HZ2 TRP 53 HZ2 TRP 53 8.716 9.358 6.722 384 HZ3 TRP 53 HZ3 TRP 53 10.604 12.111 4.066 385 HH2 TRP 53 HH2 TRP 53 10.259 11.225 6.315 386 H SER 54 H SER 54 10.316 6.798 0.946 387 HA SER 54 HA SER 54 8.648 4.394 1.261 388 HB2 SER 54 HB2 SER 54 10.562 4.298 -0.375 389 HB3 SER 54 HB3 SER 54 11.658 4.501 0.991 390 HG SER 54 HG SER 54 9.728 2.435 0.870 391 H ALA 55 H ALA 55 8.191 3.798 3.265 392 HA ALA 55 HA ALA 55 9.386 5.034 5.535 393 HB1 ALA 55 HB1 ALA 55 7.940 3.594 6.850 394 HB2 ALA 55 HB2 ALA 55 7.044 4.303 5.505 395 HB3 ALA 55 HB3 ALA 55 7.578 2.624 5.421 396 H MET 56 H MET 56 9.675 1.847 4.029 397 HA MET 56 HA MET 56 11.291 0.669 6.013 398 HB2 MET 56 HB2 MET 56 10.857 0.098 3.092 399 HB3 MET 56 HB3 MET 56 12.017 -0.827 4.035 400 HG2 MET 56 HG2 MET 56 10.168 -1.382 5.618 401 HG3 MET 56 HG3 MET 56 9.054 -0.617 4.486 402 HE1 MET 56 HE1 MET 56 7.734 -3.482 2.995 403 HE2 MET 56 HE2 MET 56 7.684 -1.785 3.473 404 HE3 MET 56 HE3 MET 56 8.333 -2.239 1.897 405 H GLU 57 H GLU 57 12.169 2.209 2.921 406 HA GLU 57 HA GLU 57 14.972 2.003 3.378 407 HB2 GLU 57 HB2 GLU 57 13.570 3.918 1.513 408 HB3 GLU 57 HB3 GLU 57 15.228 3.346 1.402 409 HG2 GLU 57 HG2 GLU 57 12.833 1.546 1.172 410 HG3 GLU 57 HG3 GLU 57 13.624 2.307 -0.208 411 H GLY 58 H GLY 58 12.538 4.427 4.068 412 HA2 GLY 58 HA2 GLY 58 12.628 6.214 5.527 413 HA3 GLY 58 HA3 GLY 58 14.264 5.727 5.948 414 H GLY 59 H GLY 59 13.198 6.419 2.672 415 HA2 GLY 59 HA2 GLY 59 14.028 9.128 2.605 416 HA3 GLY 59 HA3 GLY 59 15.337 8.089 2.061 417 H PHE 60 H PHE 60 13.664 10.106 0.639 418 HA PHE 60 HA PHE 60 11.838 8.922 -1.097 419 HB2 PHE 60 HB2 PHE 60 13.619 11.331 -1.340 420 HB3 PHE 60 HB3 PHE 60 12.583 10.838 -2.675 421 HD1 PHE 60 HD1 PHE 60 12.795 12.962 0.029 422 HD2 PHE 60 HD2 PHE 60 10.071 10.281 -1.844 423 HE1 PHE 60 HE1 PHE 60 10.910 14.163 1.058 424 HE2 PHE 60 HE2 PHE 60 8.182 11.477 -0.819 425 HZ PHE 60 HZ PHE 60 8.600 13.423 0.632 426 H VAL 61 H VAL 61 12.084 7.380 -2.561 427 HA VAL 61 HA VAL 61 14.604 7.227 -4.062 428 HB VAL 61 HB VAL 61 14.382 4.708 -3.985 429 HG11 VAL 61 HG11 VAL 61 15.058 4.883 -1.334 430 HG12 VAL 61 HG12 VAL 61 16.151 5.161 -2.691 431 HG13 VAL 61 HG13 VAL 61 15.346 6.524 -1.914 432 HG21 VAL 61 HG21 VAL 61 12.697 5.216 -1.546 433 HG22 VAL 61 HG22 VAL 61 12.005 4.819 -3.118 434 HG23 VAL 61 HG23 VAL 61 13.073 3.672 -2.311 435 H ARG 62 H ARG 62 14.421 6.626 -6.189 436 HA ARG 62 HA ARG 62 11.833 6.913 -7.381 437 HB2 ARG 62 HB2 ARG 62 14.432 6.098 -8.691 438 HB3 ARG 62 HB3 ARG 62 12.993 6.701 -9.502 439 HG2 ARG 62 HG2 ARG 62 13.841 8.562 -7.490 440 HG3 ARG 62 HG3 ARG 62 15.179 8.174 -8.573 441 HD2 ARG 62 HD2 ARG 62 14.096 9.006 -10.430 442 HD3 ARG 62 HD3 ARG 62 12.496 8.784 -9.724 443 HE ARG 62 HE ARG 62 13.984 10.722 -8.281 444 HH11 ARG 62 HH11 ARG 62 12.195 10.244 -11.228 445 HH12 ARG 62 HH12 ARG 62 11.761 11.914 -11.390 446 HH21 ARG 62 HH21 ARG 62 13.420 12.923 -8.482 447 HH22 ARG 62 HH22 ARG 62 12.459 13.437 -9.827 448 H GLU 63 H GLU 63 10.397 5.314 -7.355 449 HA GLU 63 HA GLU 63 11.360 2.562 -7.784 450 HB2 GLU 63 HB2 GLU 63 9.590 1.739 -6.439 451 HB3 GLU 63 HB3 GLU 63 10.294 3.079 -5.548 452 HG2 GLU 63 HG2 GLU 63 8.490 4.537 -6.272 453 HG3 GLU 63 HG3 GLU 63 7.791 3.219 -7.210 454 H CYS 64 H CYS 64 10.523 1.395 -9.421 455 HA CYS 64 HA CYS 64 9.106 2.714 -11.486 456 HB2 CYS 64 HB2 CYS 64 10.185 0.001 -11.013 457 HB3 CYS 64 HB3 CYS 64 8.842 0.099 -12.146 458 H TYR 65 H TYR 65 7.004 2.402 -12.252 459 HA TYR 65 HA TYR 65 5.147 0.849 -10.630 460 HB2 TYR 65 HB2 TYR 65 3.583 2.815 -10.484 461 HB3 TYR 65 HB3 TYR 65 5.033 2.955 -9.496 462 HD1 TYR 65 HD1 TYR 65 3.531 4.033 -12.717 463 HD2 TYR 65 HD2 TYR 65 6.473 4.792 -9.739 464 HE1 TYR 65 HE1 TYR 65 4.034 6.196 -13.775 465 HE2 TYR 65 HE2 TYR 65 6.984 6.958 -10.787 466 HH TYR 65 HH TYR 65 5.458 8.627 -12.397 467 H ILE 66 H ILE 66 3.272 0.251 -11.706 468 HA ILE 66 HA ILE 66 2.960 1.166 -14.476 469 HB ILE 66 HB ILE 66 3.027 -1.732 -13.627 470 HG12 ILE 66 HG12 ILE 66 4.753 -0.319 -15.660 471 HG13 ILE 66 HG13 ILE 66 5.224 -0.506 -13.976 472 HG21 ILE 66 HG21 ILE 66 2.083 -0.387 -16.121 473 HG22 ILE 66 HG22 ILE 66 2.796 -1.997 -16.206 474 HG23 ILE 66 HG23 ILE 66 1.359 -1.720 -15.222 475 HD11 ILE 66 HD11 ILE 66 5.009 -2.970 -14.273 476 HD12 ILE 66 HD12 ILE 66 4.757 -2.681 -15.995 477 HD13 ILE 66 HD13 ILE 66 6.281 -2.220 -15.237 478 H CYS 67 H CYS 67 0.986 1.996 -14.584 479 HA CYS 67 HA CYS 67 -1.264 0.436 -13.561 480 HB2 CYS 67 HB2 CYS 67 -0.386 3.058 -12.546 481 HB3 CYS 67 HB3 CYS 67 -2.100 2.958 -12.938 482 H ALA 68 H ALA 68 -3.275 0.924 -14.560 483 HA ALA 68 HA ALA 68 -3.068 1.582 -17.306 484 HB1 ALA 68 HB1 ALA 68 -5.189 0.732 -15.464 485 HB2 ALA 68 HB2 ALA 68 -5.737 1.709 -16.828 486 HB3 ALA 68 HB3 ALA 68 -4.842 0.217 -17.115 487 H VAL 69 H VAL 69 -3.693 3.385 -18.442 488 HA VAL 69 HA VAL 69 -3.589 5.879 -17.036 489 HB VAL 69 HB VAL 69 -4.278 5.475 -19.945 490 HG11 VAL 69 HG11 VAL 69 -3.767 7.700 -20.263 491 HG12 VAL 69 HG12 VAL 69 -4.520 7.738 -18.668 492 HG13 VAL 69 HG13 VAL 69 -2.763 7.787 -18.816 493 HG21 VAL 69 HG21 VAL 69 -1.625 6.148 -19.878 494 HG22 VAL 69 HG22 VAL 69 -1.765 5.036 -18.517 495 HG23 VAL 69 HG23 VAL 69 -2.258 4.521 -20.130 496 H GLU 70 H GLU 70 -6.080 4.165 -18.904 497 HA GLU 70 HA GLU 70 -8.077 6.158 -18.360 498 HB2 GLU 70 HB2 GLU 70 -9.626 4.499 -19.418 499 HB3 GLU 70 HB3 GLU 70 -8.259 4.957 -20.423 500 HG2 GLU 70 HG2 GLU 70 -7.750 2.824 -20.672 501 HG3 GLU 70 HG3 GLU 70 -7.457 2.702 -18.938 502 H SER 71 H SER 71 -7.157 3.040 -17.037 503 HA SER 71 HA SER 71 -9.412 3.093 -15.179 504 HB2 SER 71 HB2 SER 71 -7.547 1.018 -16.173 505 HB3 SER 71 HB3 SER 71 -8.066 0.850 -14.496 506 HG SER 71 HG SER 71 -9.905 0.168 -15.215 507 H SER 72 H SER 72 -9.232 3.565 -13.068 508 HA SER 72 HA SER 72 -6.646 4.519 -12.117 509 HB2 SER 72 HB2 SER 72 -8.716 5.901 -11.836 510 HB3 SER 72 HB3 SER 72 -9.338 4.666 -10.740 511 HG SER 72 HG SER 72 -8.323 6.308 -9.567 512 H MET 73 H MET 73 -9.044 2.046 -11.408 513 HA MET 73 HA MET 73 -7.559 1.095 -9.103 514 HB2 MET 73 HB2 MET 73 -10.050 0.024 -10.439 515 HB3 MET 73 HB3 MET 73 -9.357 -0.604 -8.951 516 HG2 MET 73 HG2 MET 73 -10.224 2.253 -9.243 517 HG3 MET 73 HG3 MET 73 -11.321 0.973 -8.731 518 HE1 MET 73 HE1 MET 73 -11.589 2.905 -7.172 519 HE2 MET 73 HE2 MET 73 -11.317 2.307 -5.536 520 HE3 MET 73 HE3 MET 73 -10.300 3.593 -6.185 521 H CYS 74 H CYS 74 -5.860 0.954 -11.137 522 HA CYS 74 HA CYS 74 -5.876 -1.277 -12.792 523 HB2 CYS 74 HB2 CYS 74 -3.521 -0.943 -13.063 524 HB3 CYS 74 HB3 CYS 74 -4.256 0.646 -12.878 Start of MODEL 6 1 H1 SER 1 H SER 1 3.784 0.594 0.407 2 HA SER 1 HA SER 1 1.439 0.303 -1.126 3 HB2 SER 1 HB2 SER 1 3.098 1.958 -1.733 4 HB3 SER 1 HB3 SER 1 4.314 0.705 -1.983 5 HG SER 1 HG SER 1 3.362 1.408 -3.949 6 H ASN 2 H ASN 2 0.557 -1.568 -1.694 7 HA ASN 2 HA ASN 2 1.863 -4.045 -1.719 8 HB2 ASN 2 HB2 ASN 2 -0.749 -3.047 -2.791 9 HB3 ASN 2 HB3 ASN 2 -0.204 -4.668 -3.216 10 HD21 ASN 2 HD21 ASN 2 -2.408 -3.538 -1.480 11 HD22 ASN 2 HD22 ASN 2 -2.253 -4.404 0.008 12 H ARG 3 H ARG 3 2.203 -5.478 -3.570 13 HA ARG 3 HA ARG 3 3.872 -4.315 -5.510 14 HB2 ARG 3 HB2 ARG 3 2.591 -7.037 -5.310 15 HB3 ARG 3 HB3 ARG 3 3.679 -6.600 -6.621 16 HG2 ARG 3 HG2 ARG 3 5.519 -6.447 -5.215 17 HG3 ARG 3 HG3 ARG 3 4.521 -6.276 -3.770 18 HD2 ARG 3 HD2 ARG 3 4.639 -8.774 -5.450 19 HD3 ARG 3 HD3 ARG 3 5.638 -8.503 -4.023 20 HE ARG 3 HE ARG 3 2.906 -9.292 -4.067 21 HH11 ARG 3 HH11 ARG 3 5.235 -7.428 -2.273 22 HH12 ARG 3 HH12 ARG 3 4.404 -7.601 -0.764 23 HH21 ARG 3 HH21 ARG 3 1.803 -9.528 -2.085 24 HH22 ARG 3 HH22 ARG 3 2.452 -8.796 -0.657 25 H TRP 4 H TRP 4 0.495 -5.319 -5.604 26 HA TRP 4 HA TRP 4 -0.015 -5.191 -8.312 27 HB2 TRP 4 HB2 TRP 4 -1.887 -4.210 -6.149 28 HB3 TRP 4 HB3 TRP 4 -2.333 -4.810 -7.743 29 HD1 TRP 4 HD1 TRP 4 -2.232 -5.928 -4.298 30 HE1 TRP 4 HE1 TRP 4 -2.244 -8.497 -4.133 31 HE3 TRP 4 HE3 TRP 4 -1.082 -7.059 -9.150 32 HZ2 TRP 4 HZ2 TRP 4 -1.822 -10.709 -5.834 33 HZ3 TRP 4 HZ3 TRP 4 -0.904 -9.427 -9.799 34 HH2 TRP 4 HH2 TRP 4 -1.266 -11.212 -8.173 35 H ASN 5 H ASN 5 0.289 -2.569 -5.990 36 HA ASN 5 HA ASN 5 -0.722 -0.477 -7.544 37 HB2 ASN 5 HB2 ASN 5 1.497 -0.395 -5.485 38 HB3 ASN 5 HB3 ASN 5 0.617 1.004 -6.092 39 HD21 ASN 5 HD21 ASN 5 -1.846 0.716 -5.915 40 HD22 ASN 5 HD22 ASN 5 -2.414 0.129 -4.392 41 H LEU 6 H LEU 6 2.442 -2.004 -7.502 42 HA LEU 6 HA LEU 6 3.498 -0.091 -9.427 43 HB2 LEU 6 HB2 LEU 6 4.766 -2.519 -8.168 44 HB3 LEU 6 HB3 LEU 6 5.589 -1.352 -9.201 45 HG LEU 6 HG LEU 6 6.246 -0.762 -7.047 46 HD11 LEU 6 HD11 LEU 6 5.273 1.109 -8.430 47 HD12 LEU 6 HD12 LEU 6 5.368 1.404 -6.694 48 HD13 LEU 6 HD13 LEU 6 3.824 0.979 -7.433 49 HD21 LEU 6 HD21 LEU 6 4.072 -2.162 -6.194 50 HD22 LEU 6 HD22 LEU 6 3.611 -0.508 -5.790 51 HD23 LEU 6 HD23 LEU 6 5.113 -1.185 -5.159 52 H GLY 7 H GLY 7 1.373 -2.361 -9.827 53 HA2 GLY 7 HA2 GLY 7 0.769 -3.802 -11.511 54 HA3 GLY 7 HA3 GLY 7 1.746 -2.763 -12.538 55 H TYR 8 H TYR 8 3.008 -4.641 -9.854 56 HA TYR 8 HA TYR 8 5.079 -5.762 -11.395 57 HB2 TYR 8 HB2 TYR 8 5.339 -5.503 -9.009 58 HB3 TYR 8 HB3 TYR 8 3.969 -6.565 -8.701 59 HD1 TYR 8 HD1 TYR 8 6.953 -6.897 -10.928 60 HD2 TYR 8 HD2 TYR 8 4.730 -8.485 -7.665 61 HE1 TYR 8 HE1 TYR 8 8.476 -8.827 -10.836 62 HE2 TYR 8 HE2 TYR 8 6.248 -10.417 -7.563 63 HH TYR 8 HH TYR 8 7.884 -11.578 -9.548 64 H GLY 9 H GLY 9 2.071 -7.192 -10.138 65 HA2 GLY 9 HA2 GLY 9 2.384 -9.783 -11.052 66 HA3 GLY 9 HA3 GLY 9 0.832 -8.977 -10.884 67 H ILE 10 H ILE 10 1.293 -6.944 -12.839 68 HA ILE 10 HA ILE 10 0.319 -8.171 -15.129 69 HB ILE 10 HB ILE 10 1.850 -5.571 -14.982 70 HG12 ILE 10 HG12 ILE 10 -1.142 -5.981 -14.925 71 HG13 ILE 10 HG13 ILE 10 -0.171 -5.820 -13.467 72 HG21 ILE 10 HG21 ILE 10 -0.139 -6.516 -17.041 73 HG22 ILE 10 HG22 ILE 10 0.727 -4.981 -17.037 74 HG23 ILE 10 HG23 ILE 10 1.611 -6.490 -17.261 75 HD11 ILE 10 HD11 ILE 10 -0.374 -3.760 -15.648 76 HD12 ILE 10 HD12 ILE 10 -1.248 -3.723 -14.117 77 HD13 ILE 10 HD13 ILE 10 0.510 -3.600 -14.132 78 HA PRO 11 HA PRO 11 3.903 -10.091 -16.869 79 HB2 PRO 11 HB2 PRO 11 2.869 -10.594 -19.328 80 HB3 PRO 11 HB3 PRO 11 2.434 -11.530 -17.892 81 HG2 PRO 11 HG2 PRO 11 0.952 -9.289 -19.211 82 HG3 PRO 11 HG3 PRO 11 0.326 -10.815 -18.562 83 HD2 PRO 11 HD2 PRO 11 0.152 -8.477 -17.210 84 HD3 PRO 11 HD3 PRO 11 0.334 -10.042 -16.392 85 H HIS 12 H HIS 12 5.636 -8.938 -17.433 86 HA HIS 12 HA HIS 12 5.341 -6.884 -19.525 87 HB2 HIS 12 HB2 HIS 12 7.565 -6.950 -17.495 88 HB3 HIS 12 HB3 HIS 12 7.041 -5.601 -18.500 89 HD1 HIS 12 HD1 HIS 12 7.079 -6.321 -15.157 90 HD2 HIS 12 HD2 HIS 12 3.977 -5.277 -17.715 91 HE1 HIS 12 HE1 HIS 12 5.271 -5.396 -13.677 92 H LYS 13 H LYS 13 7.252 -6.545 -20.896 93 HA LYS 13 HA LYS 13 8.586 -9.107 -21.458 94 HB2 LYS 13 HB2 LYS 13 7.113 -8.133 -23.236 95 HB3 LYS 13 HB3 LYS 13 8.209 -6.761 -23.326 96 HG2 LYS 13 HG2 LYS 13 9.996 -8.151 -24.093 97 HG3 LYS 13 HG3 LYS 13 9.043 -9.611 -23.814 98 HD2 LYS 13 HD2 LYS 13 8.091 -7.465 -25.683 99 HD3 LYS 13 HD3 LYS 13 9.224 -8.706 -26.219 100 HE2 LYS 13 HE2 LYS 13 6.659 -9.423 -24.838 101 HE3 LYS 13 HE3 LYS 13 6.706 -9.106 -26.571 102 HZ1 LYS 13 HZ1 LYS 13 7.106 -11.315 -26.613 103 HZ2 LYS 13 HZ2 LYS 13 7.786 -11.353 -25.065 104 HZ3 LYS 13 HZ3 LYS 13 8.706 -10.814 -26.379 105 H GLN 14 H GLN 14 10.599 -9.199 -20.718 106 HA GLN 14 HA GLN 14 12.124 -6.905 -20.027 107 HB2 GLN 14 HB2 GLN 14 12.277 -9.692 -19.591 108 HB3 GLN 14 HB3 GLN 14 13.781 -9.228 -20.375 109 HG2 GLN 14 HG2 GLN 14 12.641 -8.106 -17.828 110 HG3 GLN 14 HG3 GLN 14 14.071 -9.122 -18.004 111 HE21 GLN 14 HE21 GLN 14 15.987 -8.203 -18.473 112 HE22 GLN 14 HE22 GLN 14 16.228 -6.507 -18.699 113 H VAL 15 H VAL 15 13.848 -5.943 -21.041 114 HA VAL 15 HA VAL 15 14.807 -6.968 -23.581 115 HB VAL 15 HB VAL 15 14.430 -4.715 -24.684 116 HG11 VAL 15 HG11 VAL 15 13.168 -6.725 -25.282 117 HG12 VAL 15 HG12 VAL 15 11.991 -6.362 -24.018 118 HG13 VAL 15 HG13 VAL 15 12.168 -5.276 -25.397 119 HG21 VAL 15 HG21 VAL 15 12.508 -4.427 -22.377 120 HG22 VAL 15 HG22 VAL 15 13.891 -3.394 -22.740 121 HG23 VAL 15 HG23 VAL 15 12.499 -3.416 -23.822 122 H LYS 16 H LYS 16 16.758 -6.006 -24.273 123 HA LYS 16 HA LYS 16 18.320 -4.897 -22.107 124 HB2 LYS 16 HB2 LYS 16 19.107 -5.581 -24.945 125 HB3 LYS 16 HB3 LYS 16 20.219 -5.134 -23.657 126 HG2 LYS 16 HG2 LYS 16 18.509 -7.339 -22.886 127 HG3 LYS 16 HG3 LYS 16 19.432 -7.692 -24.350 128 HD2 LYS 16 HD2 LYS 16 20.641 -6.618 -21.803 129 HD3 LYS 16 HD3 LYS 16 20.580 -8.332 -22.224 130 HE2 LYS 16 HE2 LYS 16 21.710 -7.525 -24.438 131 HE3 LYS 16 HE3 LYS 16 22.157 -6.122 -23.471 132 HZ1 LYS 16 HZ1 LYS 16 23.051 -7.805 -21.818 133 HZ2 LYS 16 HZ2 LYS 16 23.929 -7.602 -23.249 134 HZ3 LYS 16 HZ3 LYS 16 22.922 -8.948 -23.059 135 H LEU 17 H LEU 17 18.941 -2.833 -21.869 136 HA LEU 17 HA LEU 17 17.850 -0.858 -23.690 137 HB2 LEU 17 HB2 LEU 17 19.248 -0.687 -21.036 138 HB3 LEU 17 HB3 LEU 17 18.850 0.744 -21.986 139 HG LEU 17 HG LEU 17 16.636 -1.133 -21.379 140 HD11 LEU 17 HD11 LEU 17 18.070 0.508 -19.321 141 HD12 LEU 17 HD12 LEU 17 17.528 -1.167 -19.225 142 HD13 LEU 17 HD13 LEU 17 16.350 0.144 -19.178 143 HD21 LEU 17 HD21 LEU 17 15.430 1.004 -21.123 144 HD22 LEU 17 HD22 LEU 17 16.217 0.851 -22.694 145 HD23 LEU 17 HD23 LEU 17 16.933 1.868 -21.443 146 HA PRO 18 HA PRO 18 21.519 0.090 -25.901 147 HB2 PRO 18 HB2 PRO 18 21.320 2.783 -26.183 148 HB3 PRO 18 HB3 PRO 18 20.291 1.644 -27.063 149 HG2 PRO 18 HG2 PRO 18 19.692 3.215 -24.585 150 HG3 PRO 18 HG3 PRO 18 18.665 2.925 -26.001 151 HD2 PRO 18 HD2 PRO 18 18.388 1.539 -23.691 152 HD3 PRO 18 HD3 PRO 18 18.049 0.823 -25.281 153 H ASN 19 H ASN 19 21.010 1.311 -22.757 154 HA ASN 19 HA ASN 19 23.491 2.756 -22.542 155 HB2 ASN 19 HB2 ASN 19 21.552 1.821 -20.414 156 HB3 ASN 19 HB3 ASN 19 22.918 2.896 -20.135 157 HD21 ASN 19 HD21 ASN 19 20.338 3.612 -19.494 158 HD22 ASN 19 HD22 ASN 19 19.827 4.894 -20.534 159 H GLY 20 H GLY 20 22.502 -0.511 -22.278 160 HA2 GLY 20 HA2 GLY 20 24.265 -2.191 -22.329 161 HA3 GLY 20 HA3 GLY 20 25.157 -1.198 -21.185 162 H GLN 21 H GLN 21 22.545 -0.694 -19.729 163 HA GLN 21 HA GLN 21 22.671 -3.127 -18.111 164 HB2 GLN 21 HB2 GLN 21 21.352 -0.483 -17.474 165 HB3 GLN 21 HB3 GLN 21 21.611 -1.818 -16.359 166 HG2 GLN 21 HG2 GLN 21 24.136 -1.408 -17.125 167 HG3 GLN 21 HG3 GLN 21 23.498 0.219 -17.358 168 HE21 GLN 21 HE21 GLN 21 24.919 -1.820 -15.197 169 HE22 GLN 21 HE22 GLN 21 24.486 -1.024 -13.727 170 H LEU 22 H LEU 22 20.563 -3.811 -17.075 171 HA LEU 22 HA LEU 22 18.585 -4.127 -19.190 172 HB2 LEU 22 HB2 LEU 22 19.002 -5.462 -16.528 173 HB3 LEU 22 HB3 LEU 22 17.565 -5.740 -17.511 174 HG LEU 22 HG LEU 22 20.410 -6.395 -18.274 175 HD11 LEU 22 HD11 LEU 22 19.857 -8.648 -17.962 176 HD12 LEU 22 HD12 LEU 22 18.131 -8.303 -17.868 177 HD13 LEU 22 HD13 LEU 22 19.197 -7.827 -16.547 178 HD21 LEU 22 HD21 LEU 22 17.824 -6.751 -19.784 179 HD22 LEU 22 HD22 LEU 22 19.366 -7.479 -20.240 180 HD23 LEU 22 HD23 LEU 22 19.186 -5.724 -20.236 181 H CYS 23 H CYS 23 16.295 -3.894 -18.744 182 HA CYS 23 HA CYS 23 15.566 -1.413 -17.788 183 HB2 CYS 23 HB2 CYS 23 13.829 -3.890 -17.868 184 HB3 CYS 23 HB3 CYS 23 13.255 -2.226 -17.815 185 H LYS 24 H LYS 24 14.107 -0.903 -15.947 186 HA LYS 24 HA LYS 24 15.194 -2.077 -13.507 187 HB2 LYS 24 HB2 LYS 24 13.841 0.482 -14.209 188 HB3 LYS 24 HB3 LYS 24 13.679 -0.104 -12.559 189 HG2 LYS 24 HG2 LYS 24 16.367 0.128 -13.858 190 HG3 LYS 24 HG3 LYS 24 15.588 1.522 -13.105 191 HD2 LYS 24 HD2 LYS 24 15.774 0.655 -10.991 192 HD3 LYS 24 HD3 LYS 24 15.746 -1.017 -11.556 193 HE2 LYS 24 HE2 LYS 24 17.951 -0.271 -10.657 194 HE3 LYS 24 HE3 LYS 24 18.007 -0.869 -12.315 195 HZ1 LYS 24 HZ1 LYS 24 18.950 1.545 -11.407 196 HZ2 LYS 24 HZ2 LYS 24 17.534 1.934 -12.244 197 HZ3 LYS 24 HZ3 LYS 24 18.768 1.076 -13.021 198 H GLU 25 H GLU 25 13.905 -2.883 -11.828 199 HA GLU 25 HA GLU 25 11.400 -4.049 -12.735 200 HB2 GLU 25 HB2 GLU 25 12.688 -4.479 -10.048 201 HB3 GLU 25 HB3 GLU 25 11.569 -5.532 -10.899 202 HG2 GLU 25 HG2 GLU 25 13.729 -5.284 -12.621 203 HG3 GLU 25 HG3 GLU 25 14.449 -5.417 -11.018 204 HA PRO 26 HA PRO 26 8.719 -1.312 -10.595 205 HB2 PRO 26 HB2 PRO 26 6.702 -2.992 -9.904 206 HB3 PRO 26 HB3 PRO 26 6.977 -2.455 -11.566 207 HG2 PRO 26 HG2 PRO 26 7.763 -5.028 -10.253 208 HG3 PRO 26 HG3 PRO 26 7.074 -4.758 -11.864 209 HD2 PRO 26 HD2 PRO 26 9.717 -5.190 -11.464 210 HD3 PRO 26 HD3 PRO 26 9.106 -4.156 -12.770 211 H GLY 27 H GLY 27 9.235 -0.486 -8.664 212 HA2 GLY 27 HA2 GLY 27 8.734 -0.521 -6.292 213 HA3 GLY 27 HA3 GLY 27 9.030 -2.253 -6.311 214 H ASP 28 H ASP 28 11.435 -2.018 -7.953 215 HA ASP 28 HA ASP 28 13.293 -1.491 -5.812 216 HB2 ASP 28 HB2 ASP 28 13.506 -2.617 -8.581 217 HB3 ASP 28 HB3 ASP 28 14.962 -2.095 -7.739 218 H SER 29 H SER 29 14.960 0.029 -5.812 219 HA SER 29 HA SER 29 14.319 2.574 -6.799 220 HB2 SER 29 HB2 SER 29 16.515 3.261 -5.993 221 HB3 SER 29 HB3 SER 29 15.768 2.169 -4.827 222 HG SER 29 HG SER 29 17.025 0.472 -5.865 223 H CYS 30 H CYS 30 15.264 3.848 -8.421 224 HA CYS 30 HA CYS 30 16.712 2.349 -10.503 225 HB2 CYS 30 HB2 CYS 30 14.839 4.597 -11.174 226 HB3 CYS 30 HB3 CYS 30 15.419 3.295 -12.206 227 H SER 31 H SER 31 17.634 4.032 -12.172 228 HA SER 31 HA SER 31 19.121 6.008 -10.587 229 HB2 SER 31 HB2 SER 31 19.793 4.625 -13.191 230 HB3 SER 31 HB3 SER 31 20.756 5.932 -12.503 231 HG SER 31 HG SER 31 21.571 4.580 -11.114 232 H LYS 32 H LYS 32 17.117 5.588 -13.420 233 HA LYS 32 HA LYS 32 16.569 8.418 -13.494 234 HB2 LYS 32 HB2 LYS 32 18.129 7.048 -15.660 235 HB3 LYS 32 HB3 LYS 32 17.072 8.398 -16.050 236 HG2 LYS 32 HG2 LYS 32 18.333 9.689 -14.251 237 HG3 LYS 32 HG3 LYS 32 19.518 8.382 -14.315 238 HD2 LYS 32 HD2 LYS 32 19.813 8.786 -16.720 239 HD3 LYS 32 HD3 LYS 32 18.649 10.110 -16.633 240 HE2 LYS 32 HE2 LYS 32 20.095 11.493 -15.527 241 HE3 LYS 32 HE3 LYS 32 20.966 10.160 -14.773 242 HZ1 LYS 32 HZ1 LYS 32 22.404 11.102 -16.365 243 HZ2 LYS 32 HZ2 LYS 32 21.209 11.132 -17.561 244 HZ3 LYS 32 HZ3 LYS 32 21.853 9.655 -17.047 245 H ARG 33 H ARG 33 14.718 8.944 -14.744 246 HA ARG 33 HA ARG 33 12.658 7.093 -14.692 247 HB2 ARG 33 HB2 ARG 33 12.365 9.554 -14.830 248 HB3 ARG 33 HB3 ARG 33 12.872 9.495 -16.514 249 HG2 ARG 33 HG2 ARG 33 10.935 7.912 -16.899 250 HG3 ARG 33 HG3 ARG 33 10.379 8.361 -15.286 251 HD2 ARG 33 HD2 ARG 33 10.829 10.223 -17.614 252 HD3 ARG 33 HD3 ARG 33 9.271 9.713 -16.969 253 HE ARG 33 HE ARG 33 10.785 10.910 -14.923 254 HH11 ARG 33 HH11 ARG 33 9.075 11.722 -17.844 255 HH12 ARG 33 HH12 ARG 33 8.704 13.335 -17.333 256 HH21 ARG 33 HH21 ARG 33 10.302 13.032 -14.238 257 HH22 ARG 33 HH22 ARG 33 9.403 14.079 -15.283 258 H ASP 34 H ASP 34 14.973 7.798 -17.222 259 HA ASP 34 HA ASP 34 13.668 6.448 -19.331 260 HB2 ASP 34 HB2 ASP 34 15.487 8.029 -19.738 261 HB3 ASP 34 HB3 ASP 34 16.618 6.969 -18.901 262 H GLU 35 H GLU 35 15.525 5.344 -16.629 263 HA GLU 35 HA GLU 35 16.342 2.839 -17.635 264 HB2 GLU 35 HB2 GLU 35 15.745 3.637 -14.779 265 HB3 GLU 35 HB3 GLU 35 16.641 2.209 -15.277 266 HG2 GLU 35 HG2 GLU 35 17.490 5.026 -15.895 267 HG3 GLU 35 HG3 GLU 35 18.051 4.104 -14.500 268 H CYS 36 H CYS 36 13.345 3.979 -16.249 269 HA CYS 36 HA CYS 36 12.203 1.418 -15.765 270 HB2 CYS 36 HB2 CYS 36 11.530 3.936 -15.037 271 HB3 CYS 36 HB3 CYS 36 10.386 3.678 -16.351 272 H CYS 37 H CYS 37 11.401 0.008 -17.166 273 HA CYS 37 HA CYS 37 11.161 0.742 -19.962 274 HB2 CYS 37 HB2 CYS 37 11.416 -1.756 -18.422 275 HB3 CYS 37 HB3 CYS 37 10.365 -1.870 -19.831 276 H LYS 38 H LYS 38 9.208 -0.572 -21.060 277 HA LYS 38 HA LYS 38 6.790 0.503 -19.789 278 HB2 LYS 38 HB2 LYS 38 7.215 -0.367 -22.653 279 HB3 LYS 38 HB3 LYS 38 5.778 0.415 -22.009 280 HG2 LYS 38 HG2 LYS 38 8.346 1.834 -21.648 281 HG3 LYS 38 HG3 LYS 38 7.701 1.739 -23.287 282 HD2 LYS 38 HD2 LYS 38 5.834 2.512 -21.111 283 HD3 LYS 38 HD3 LYS 38 7.041 3.698 -21.616 284 HE2 LYS 38 HE2 LYS 38 6.266 3.541 -23.912 285 HE3 LYS 38 HE3 LYS 38 5.110 2.289 -23.458 286 HZ1 LYS 38 HZ1 LYS 38 4.142 4.000 -21.902 287 HZ2 LYS 38 HZ2 LYS 38 3.900 4.280 -23.551 288 HZ3 LYS 38 HZ3 LYS 38 5.079 5.153 -22.711 289 H ALA 39 H ALA 39 4.756 -0.767 -20.213 290 HA ALA 39 HA ALA 39 5.242 -3.549 -19.489 291 HB1 ALA 39 HB1 ALA 39 2.964 -3.615 -18.768 292 HB2 ALA 39 HB2 ALA 39 3.683 -2.119 -18.168 293 HB3 ALA 39 HB3 ALA 39 2.612 -2.082 -19.570 294 H ASP 40 H ASP 40 3.737 -5.212 -20.417 295 HA ASP 40 HA ASP 40 4.115 -5.519 -23.136 296 HB2 ASP 40 HB2 ASP 40 2.173 -6.751 -21.203 297 HB3 ASP 40 HB3 ASP 40 2.101 -7.155 -22.916 298 H ASP 41 H ASP 41 1.296 -4.214 -21.437 299 HA ASP 41 HA ASP 41 0.180 -3.394 -24.034 300 HB2 ASP 41 HB2 ASP 41 -1.097 -4.847 -22.200 301 HB3 ASP 41 HB3 ASP 41 -1.450 -3.251 -21.544 302 H GLN 42 H GLN 42 2.182 -1.813 -23.349 303 HA GLN 42 HA GLN 42 1.805 0.264 -21.568 304 HB2 GLN 42 HB2 GLN 42 3.251 1.603 -23.156 305 HB3 GLN 42 HB3 GLN 42 3.917 0.064 -22.629 306 HG2 GLN 42 HG2 GLN 42 3.800 -0.858 -24.691 307 HG3 GLN 42 HG3 GLN 42 2.361 0.054 -25.140 308 HE21 GLN 42 HE21 GLN 42 2.584 2.133 -25.966 309 HE22 GLN 42 HE22 GLN 42 4.092 2.726 -26.565 310 H LYS 43 H LYS 43 0.306 -0.288 -24.654 311 HA LYS 43 HA LYS 43 -0.571 2.269 -25.305 312 HB2 LYS 43 HB2 LYS 43 -2.067 -0.327 -25.723 313 HB3 LYS 43 HB3 LYS 43 -2.329 1.174 -26.601 314 HG2 LYS 43 HG2 LYS 43 -0.421 0.946 -27.846 315 HG3 LYS 43 HG3 LYS 43 0.384 -0.050 -26.630 316 HD2 LYS 43 HD2 LYS 43 -0.825 -1.967 -27.242 317 HD3 LYS 43 HD3 LYS 43 -2.029 -1.028 -28.127 318 HE2 LYS 43 HE2 LYS 43 -0.602 -2.122 -29.712 319 HE3 LYS 43 HE3 LYS 43 -0.253 -0.395 -29.748 320 HZ1 LYS 43 HZ1 LYS 43 1.385 -2.595 -28.679 321 HZ2 LYS 43 HZ2 LYS 43 1.574 -1.033 -28.056 322 HZ3 LYS 43 HZ3 LYS 43 1.836 -1.325 -29.703 323 H THR 44 H THR 44 -1.709 0.049 -22.878 324 HA THR 44 HA THR 44 -3.893 1.912 -22.210 325 HB THR 44 HB THR 44 -4.720 -0.130 -20.826 326 HG1 THR 44 HG1 THR 44 -3.743 -1.974 -21.203 327 HG21 THR 44 HG21 THR 44 -6.269 0.105 -22.420 328 HG22 THR 44 HG22 THR 44 -5.367 -1.086 -23.358 329 HG23 THR 44 HG23 THR 44 -5.070 0.635 -23.598 330 H TYR 45 H TYR 45 -1.239 -0.010 -20.908 331 HA TYR 45 HA TYR 45 -1.584 1.234 -18.283 332 HB2 TYR 45 HB2 TYR 45 0.481 -0.839 -19.001 333 HB3 TYR 45 HB3 TYR 45 -0.166 -0.446 -17.411 334 HD1 TYR 45 HD1 TYR 45 -3.096 -0.406 -18.130 335 HD2 TYR 45 HD2 TYR 45 0.007 -3.144 -19.116 336 HE1 TYR 45 HE1 TYR 45 -4.761 -2.199 -18.363 337 HE2 TYR 45 HE2 TYR 45 -1.650 -4.946 -19.354 338 HH TYR 45 HH TYR 45 -4.833 -4.672 -18.252 339 H SER 46 H SER 46 0.071 2.387 -17.257 340 HA SER 46 HA SER 46 2.000 3.595 -19.117 341 HB2 SER 46 HB2 SER 46 0.358 5.094 -17.950 342 HB3 SER 46 HB3 SER 46 1.116 4.646 -16.420 343 HG SER 46 HG SER 46 1.859 6.547 -18.070 344 H SER 47 H SER 47 4.129 4.179 -18.239 345 HA SER 47 HA SER 47 5.033 2.560 -15.981 346 HB2 SER 47 HB2 SER 47 6.713 1.411 -17.159 347 HB3 SER 47 HB3 SER 47 5.310 1.308 -18.223 348 HG SER 47 HG SER 47 7.701 2.636 -18.571 349 H GLY 48 H GLY 48 6.750 3.422 -14.876 350 HA2 GLY 48 HA2 GLY 48 8.592 5.287 -15.839 351 HA3 GLY 48 HA3 GLY 48 7.245 6.186 -15.160 352 H CYS 49 H CYS 49 9.914 6.255 -14.195 353 HA CYS 49 HA CYS 49 9.543 5.032 -11.540 354 HB2 CYS 49 HB2 CYS 49 11.439 4.127 -13.052 355 HB3 CYS 49 HB3 CYS 49 12.250 5.648 -12.694 356 H ALA 50 H ALA 50 8.909 6.637 -10.243 357 HA ALA 50 HA ALA 50 10.485 9.127 -10.273 358 HB1 ALA 50 HB1 ALA 50 7.511 8.830 -9.892 359 HB2 ALA 50 HB2 ALA 50 8.408 10.315 -9.567 360 HB3 ALA 50 HB3 ALA 50 8.347 9.661 -11.204 361 H GLN 51 H GLN 51 10.573 10.258 -8.213 362 HA GLN 51 HA GLN 51 11.266 8.594 -6.080 363 HB2 GLN 51 HB2 GLN 51 10.467 11.504 -5.921 364 HB3 GLN 51 HB3 GLN 51 11.436 10.620 -4.750 365 HG2 GLN 51 HG2 GLN 51 13.262 10.461 -6.227 366 HG3 GLN 51 HG3 GLN 51 12.286 10.964 -7.607 367 HE21 GLN 51 HE21 GLN 51 14.430 12.333 -7.504 368 HE22 GLN 51 HE22 GLN 51 14.234 13.894 -6.791 369 H THR 52 H THR 52 10.233 7.922 -4.249 370 HA THR 52 HA THR 52 7.518 8.806 -3.701 371 HB THR 52 HB THR 52 6.639 6.491 -3.596 372 HG1 THR 52 HG1 THR 52 9.125 5.862 -4.842 373 HG21 THR 52 HG21 THR 52 6.181 6.281 -5.907 374 HG22 THR 52 HG22 THR 52 7.707 7.042 -6.355 375 HG23 THR 52 HG23 THR 52 6.422 8.005 -5.629 376 H TRP 53 H TRP 53 7.199 8.962 -1.576 377 HA TRP 53 HA TRP 53 9.162 8.558 0.318 378 HB2 TRP 53 HB2 TRP 53 7.281 9.969 0.811 379 HB3 TRP 53 HB3 TRP 53 6.159 8.622 0.643 380 HD1 TRP 53 HD1 TRP 53 5.871 6.998 2.710 381 HE1 TRP 53 HE1 TRP 53 6.614 7.145 5.170 382 HE3 TRP 53 HE3 TRP 53 9.221 10.840 2.316 383 HZ2 TRP 53 HZ2 TRP 53 8.386 8.687 6.736 384 HZ3 TRP 53 HZ3 TRP 53 10.396 11.591 4.342 385 HH2 TRP 53 HH2 TRP 53 9.986 10.537 6.506 386 H SER 54 H SER 54 10.145 6.712 0.814 387 HA SER 54 HA SER 54 8.566 4.235 0.894 388 HB2 SER 54 HB2 SER 54 10.456 4.086 -0.601 389 HB3 SER 54 HB3 SER 54 11.548 4.688 0.646 390 HG SER 54 HG SER 54 10.728 2.166 0.180 391 H ALA 55 H ALA 55 8.032 3.420 2.799 392 HA ALA 55 HA ALA 55 9.054 4.548 5.234 393 HB1 ALA 55 HB1 ALA 55 6.670 3.671 4.733 394 HB2 ALA 55 HB2 ALA 55 7.348 2.093 5.136 395 HB3 ALA 55 HB3 ALA 55 7.371 3.392 6.327 396 H MET 56 H MET 56 9.478 1.547 3.447 397 HA MET 56 HA MET 56 10.889 0.152 5.472 398 HB2 MET 56 HB2 MET 56 10.611 -0.183 2.501 399 HB3 MET 56 HB3 MET 56 11.744 -1.178 3.407 400 HG2 MET 56 HG2 MET 56 9.806 -1.823 4.884 401 HG3 MET 56 HG3 MET 56 8.761 -1.041 3.703 402 HE1 MET 56 HE1 MET 56 7.355 -2.670 2.989 403 HE2 MET 56 HE2 MET 56 7.720 -4.175 2.146 404 HE3 MET 56 HE3 MET 56 7.836 -4.098 3.905 405 H GLU 57 H GLU 57 11.978 1.992 2.627 406 HA GLU 57 HA GLU 57 14.752 1.676 3.278 407 HB2 GLU 57 HB2 GLU 57 13.524 3.690 1.393 408 HB3 GLU 57 HB3 GLU 57 15.183 3.111 1.398 409 HG2 GLU 57 HG2 GLU 57 12.779 1.394 0.830 410 HG3 GLU 57 HG3 GLU 57 13.794 2.143 -0.400 411 H GLY 58 H GLY 58 12.280 4.088 3.871 412 HA2 GLY 58 HA2 GLY 58 12.256 5.791 5.432 413 HA3 GLY 58 HA3 GLY 58 13.862 5.288 5.943 414 H GLY 59 H GLY 59 12.994 6.158 2.646 415 HA2 GLY 59 HA2 GLY 59 13.877 8.858 2.801 416 HA3 GLY 59 HA3 GLY 59 15.168 7.819 2.213 417 H PHE 60 H PHE 60 13.537 9.986 0.924 418 HA PHE 60 HA PHE 60 11.749 8.960 -0.945 419 HB2 PHE 60 HB2 PHE 60 13.541 11.370 -0.935 420 HB3 PHE 60 HB3 PHE 60 12.557 10.994 -2.345 421 HD1 PHE 60 HD1 PHE 60 12.658 12.676 0.742 422 HD2 PHE 60 HD2 PHE 60 10.022 10.590 -1.869 423 HE1 PHE 60 HE1 PHE 60 10.736 13.795 1.794 424 HE2 PHE 60 HE2 PHE 60 8.097 11.707 -0.822 425 HZ PHE 60 HZ PHE 60 8.451 13.313 1.011 426 H VAL 61 H VAL 61 12.020 7.543 -2.524 427 HA VAL 61 HA VAL 61 14.530 7.538 -4.038 428 HB VAL 61 HB VAL 61 14.451 5.011 -4.060 429 HG11 VAL 61 HG11 VAL 61 15.595 6.802 -2.234 430 HG12 VAL 61 HG12 VAL 61 15.004 5.444 -1.274 431 HG13 VAL 61 HG13 VAL 61 16.124 5.162 -2.606 432 HG21 VAL 61 HG21 VAL 61 13.086 3.809 -2.689 433 HG22 VAL 61 HG22 VAL 61 12.978 5.091 -1.483 434 HG23 VAL 61 HG23 VAL 61 12.037 5.198 -2.970 435 H ARG 62 H ARG 62 14.352 6.832 -6.171 436 HA ARG 62 HA ARG 62 11.712 7.082 -7.299 437 HB2 ARG 62 HB2 ARG 62 14.424 6.634 -8.550 438 HB3 ARG 62 HB3 ARG 62 12.939 6.798 -9.476 439 HG2 ARG 62 HG2 ARG 62 13.689 8.941 -9.565 440 HG3 ARG 62 HG3 ARG 62 12.725 9.029 -8.090 441 HD2 ARG 62 HD2 ARG 62 14.900 10.090 -7.787 442 HD3 ARG 62 HD3 ARG 62 14.733 8.674 -6.750 443 HE ARG 62 HE ARG 62 15.978 7.944 -9.170 444 HH11 ARG 62 HH11 ARG 62 16.591 9.692 -6.223 445 HH12 ARG 62 HH12 ARG 62 18.298 9.395 -6.247 446 HH21 ARG 62 HH21 ARG 62 18.224 7.545 -9.213 447 HH22 ARG 62 HH22 ARG 62 19.226 8.173 -7.949 448 H GLU 63 H GLU 63 10.375 5.400 -7.291 449 HA GLU 63 HA GLU 63 11.486 2.728 -7.847 450 HB2 GLU 63 HB2 GLU 63 9.825 1.751 -6.476 451 HB3 GLU 63 HB3 GLU 63 10.457 3.113 -5.562 452 HG2 GLU 63 HG2 GLU 63 8.522 4.460 -6.302 453 HG3 GLU 63 HG3 GLU 63 7.874 3.028 -7.101 454 H CYS 64 H CYS 64 10.649 1.557 -9.488 455 HA CYS 64 HA CYS 64 9.134 2.852 -11.487 456 HB2 CYS 64 HB2 CYS 64 10.233 0.127 -11.061 457 HB3 CYS 64 HB3 CYS 64 8.911 0.273 -12.215 458 H TYR 65 H TYR 65 7.036 2.339 -12.284 459 HA TYR 65 HA TYR 65 5.253 0.785 -10.606 460 HB2 TYR 65 HB2 TYR 65 3.639 2.688 -10.382 461 HB3 TYR 65 HB3 TYR 65 5.123 2.893 -9.458 462 HD1 TYR 65 HD1 TYR 65 3.388 3.926 -12.568 463 HD2 TYR 65 HD2 TYR 65 6.522 4.760 -9.814 464 HE1 TYR 65 HE1 TYR 65 3.750 6.106 -13.648 465 HE2 TYR 65 HE2 TYR 65 6.890 6.942 -10.884 466 HH TYR 65 HH TYR 65 6.053 8.441 -12.346 467 H ILE 66 H ILE 66 3.375 0.142 -11.650 468 HA ILE 66 HA ILE 66 2.973 1.077 -14.401 469 HB ILE 66 HB ILE 66 3.162 -1.825 -13.588 470 HG12 ILE 66 HG12 ILE 66 4.771 -0.354 -15.673 471 HG13 ILE 66 HG13 ILE 66 5.298 -0.491 -14.000 472 HG21 ILE 66 HG21 ILE 66 2.326 -0.566 -16.194 473 HG22 ILE 66 HG22 ILE 66 2.732 -2.270 -16.000 474 HG23 ILE 66 HG23 ILE 66 1.353 -1.591 -15.139 475 HD11 ILE 66 HD11 ILE 66 5.228 -2.951 -14.230 476 HD12 ILE 66 HD12 ILE 66 4.835 -2.743 -15.938 477 HD13 ILE 66 HD13 ILE 66 6.382 -2.171 -15.313 478 H CYS 67 H CYS 67 0.946 1.727 -14.604 479 HA CYS 67 HA CYS 67 -1.222 0.112 -13.535 480 HB2 CYS 67 HB2 CYS 67 -0.343 2.566 -12.281 481 HB3 CYS 67 HB3 CYS 67 -1.995 2.727 -12.871 482 H ALA 68 H ALA 68 -3.316 0.720 -14.398 483 HA ALA 68 HA ALA 68 -3.220 1.328 -17.149 484 HB1 ALA 68 HB1 ALA 68 -5.135 0.357 -15.316 485 HB2 ALA 68 HB2 ALA 68 -5.854 1.743 -16.137 486 HB3 ALA 68 HB3 ALA 68 -5.228 0.390 -17.077 487 H VAL 69 H VAL 69 -3.699 3.155 -18.297 488 HA VAL 69 HA VAL 69 -3.368 5.662 -16.949 489 HB VAL 69 HB VAL 69 -4.153 5.252 -19.834 490 HG11 VAL 69 HG11 VAL 69 -3.255 7.413 -20.211 491 HG12 VAL 69 HG12 VAL 69 -4.300 7.547 -18.796 492 HG13 VAL 69 HG13 VAL 69 -2.548 7.477 -18.597 493 HG21 VAL 69 HG21 VAL 69 -1.413 5.748 -19.704 494 HG22 VAL 69 HG22 VAL 69 -1.714 4.520 -18.476 495 HG23 VAL 69 HG23 VAL 69 -2.200 4.233 -20.147 496 H GLU 70 H GLU 70 -6.028 4.104 -18.715 497 HA GLU 70 HA GLU 70 -7.853 6.258 -18.215 498 HB2 GLU 70 HB2 GLU 70 -9.555 4.678 -19.136 499 HB3 GLU 70 HB3 GLU 70 -8.180 4.949 -20.198 500 HG2 GLU 70 HG2 GLU 70 -7.226 2.835 -19.604 501 HG3 GLU 70 HG3 GLU 70 -8.463 2.573 -18.376 502 H SER 71 H SER 71 -7.133 3.157 -16.736 503 HA SER 71 HA SER 71 -9.368 3.350 -14.900 504 HB2 SER 71 HB2 SER 71 -8.312 1.185 -15.927 505 HB3 SER 71 HB3 SER 71 -7.150 1.350 -14.610 506 HG SER 71 HG SER 71 -8.733 0.161 -13.734 507 H SER 72 H SER 72 -8.679 5.407 -13.980 508 HA SER 72 HA SER 72 -6.282 5.841 -12.634 509 HB2 SER 72 HB2 SER 72 -8.192 7.496 -13.167 510 HB3 SER 72 HB3 SER 72 -8.902 6.952 -11.647 511 HG SER 72 HG SER 72 -7.307 7.876 -10.545 512 H MET 73 H MET 73 -9.180 4.152 -11.628 513 HA MET 73 HA MET 73 -8.844 4.020 -8.896 514 HB2 MET 73 HB2 MET 73 -9.856 1.892 -10.786 515 HB3 MET 73 HB3 MET 73 -10.019 1.813 -9.036 516 HG2 MET 73 HG2 MET 73 -11.058 4.175 -10.540 517 HG3 MET 73 HG3 MET 73 -11.985 2.678 -10.472 518 HE1 MET 73 HE1 MET 73 -13.760 2.825 -9.472 519 HE2 MET 73 HE2 MET 73 -13.742 2.389 -7.763 520 HE3 MET 73 HE3 MET 73 -14.238 4.008 -8.256 521 H CYS 74 H CYS 74 -7.179 2.227 -11.414 522 HA CYS 74 HA CYS 74 -5.988 0.207 -9.961 523 HB2 CYS 74 HB2 CYS 74 -5.749 0.285 -12.352 524 HB3 CYS 74 HB3 CYS 74 -4.893 1.821 -12.268 Start of MODEL 7 1 H1 SER 1 H SER 1 4.078 0.124 -0.383 2 HA SER 1 HA SER 1 1.238 0.202 -1.114 3 HB2 SER 1 HB2 SER 1 3.439 0.785 -3.101 4 HB3 SER 1 HB3 SER 1 1.699 0.898 -3.364 5 HG SER 1 HG SER 1 3.146 2.866 -2.756 6 H ASN 2 H ASN 2 0.482 -1.626 -2.054 7 HA ASN 2 HA ASN 2 2.044 -3.987 -1.886 8 HB2 ASN 2 HB2 ASN 2 -0.688 -3.381 -2.998 9 HB3 ASN 2 HB3 ASN 2 0.022 -4.989 -3.129 10 HD21 ASN 2 HD21 ASN 2 -2.052 -5.333 -1.865 11 HD22 ASN 2 HD22 ASN 2 -1.910 -5.297 -0.144 12 H ARG 3 H ARG 3 2.485 -5.484 -3.649 13 HA ARG 3 HA ARG 3 3.985 -4.368 -5.698 14 HB2 ARG 3 HB2 ARG 3 2.685 -7.094 -5.563 15 HB3 ARG 3 HB3 ARG 3 3.913 -6.633 -6.733 16 HG2 ARG 3 HG2 ARG 3 5.585 -6.521 -5.123 17 HG3 ARG 3 HG3 ARG 3 4.428 -6.399 -3.796 18 HD2 ARG 3 HD2 ARG 3 4.648 -8.842 -5.534 19 HD3 ARG 3 HD3 ARG 3 5.615 -8.626 -4.076 20 HE ARG 3 HE ARG 3 2.941 -8.205 -3.405 21 HH11 ARG 3 HH11 ARG 3 5.006 -10.787 -4.491 22 HH12 ARG 3 HH12 ARG 3 4.079 -12.029 -3.718 23 HH21 ARG 3 HH21 ARG 3 1.712 -9.831 -2.380 24 HH22 ARG 3 HH22 ARG 3 2.205 -11.485 -2.518 25 H TRP 4 H TRP 4 0.605 -5.346 -5.653 26 HA TRP 4 HA TRP 4 0.033 -5.250 -8.369 27 HB2 TRP 4 HB2 TRP 4 -1.824 -4.325 -6.172 28 HB3 TRP 4 HB3 TRP 4 -2.274 -4.971 -7.748 29 HD1 TRP 4 HD1 TRP 4 -2.055 -6.021 -4.282 30 HE1 TRP 4 HE1 TRP 4 -1.971 -8.586 -4.074 31 HE3 TRP 4 HE3 TRP 4 -0.985 -7.196 -9.142 32 HZ2 TRP 4 HZ2 TRP 4 -1.511 -10.811 -5.748 33 HZ3 TRP 4 HZ3 TRP 4 -0.739 -9.566 -9.756 34 HH2 TRP 4 HH2 TRP 4 -0.995 -11.335 -8.092 35 H ASN 5 H ASN 5 0.261 -2.640 -6.013 36 HA ASN 5 HA ASN 5 -0.823 -0.569 -7.533 37 HB2 ASN 5 HB2 ASN 5 1.364 -0.512 -5.445 38 HB3 ASN 5 HB3 ASN 5 0.594 0.930 -6.102 39 HD21 ASN 5 HD21 ASN 5 -1.808 0.980 -5.914 40 HD22 ASN 5 HD22 ASN 5 -2.502 0.372 -4.454 41 H LEU 6 H LEU 6 2.388 -1.992 -7.552 42 HA LEU 6 HA LEU 6 3.358 -0.024 -9.465 43 HB2 LEU 6 HB2 LEU 6 4.719 -2.430 -8.260 44 HB3 LEU 6 HB3 LEU 6 5.490 -1.220 -9.283 45 HG LEU 6 HG LEU 6 6.156 -0.643 -7.131 46 HD11 LEU 6 HD11 LEU 6 5.156 1.477 -6.691 47 HD12 LEU 6 HD12 LEU 6 3.670 1.012 -7.518 48 HD13 LEU 6 HD13 LEU 6 5.158 1.235 -8.438 49 HD21 LEU 6 HD21 LEU 6 5.099 -1.268 -5.276 50 HD22 LEU 6 HD22 LEU 6 3.922 -2.071 -6.314 51 HD23 LEU 6 HD23 LEU 6 3.623 -0.427 -5.748 52 H GLY 7 H GLY 7 1.298 -2.351 -9.867 53 HA2 GLY 7 HA2 GLY 7 0.694 -3.748 -11.586 54 HA3 GLY 7 HA3 GLY 7 1.693 -2.713 -12.596 55 H TYR 8 H TYR 8 2.916 -4.598 -9.901 56 HA TYR 8 HA TYR 8 4.988 -5.740 -11.429 57 HB2 TYR 8 HB2 TYR 8 5.203 -5.453 -9.024 58 HB3 TYR 8 HB3 TYR 8 3.866 -6.562 -8.743 59 HD1 TYR 8 HD1 TYR 8 6.840 -6.816 -10.988 60 HD2 TYR 8 HD2 TYR 8 4.721 -8.426 -7.668 61 HE1 TYR 8 HE1 TYR 8 8.425 -8.694 -10.894 62 HE2 TYR 8 HE2 TYR 8 6.301 -10.308 -7.564 63 HH TYR 8 HH TYR 8 9.058 -10.516 -9.792 64 H GLY 9 H GLY 9 1.890 -7.049 -10.295 65 HA2 GLY 9 HA2 GLY 9 2.202 -9.686 -11.139 66 HA3 GLY 9 HA3 GLY 9 0.661 -8.852 -11.008 67 H ILE 10 H ILE 10 1.198 -6.844 -12.973 68 HA ILE 10 HA ILE 10 0.253 -8.087 -15.270 69 HB ILE 10 HB ILE 10 1.796 -5.494 -15.121 70 HG12 ILE 10 HG12 ILE 10 -1.193 -5.944 -15.035 71 HG13 ILE 10 HG13 ILE 10 -0.201 -5.642 -13.614 72 HG21 ILE 10 HG21 ILE 10 -0.176 -6.443 -17.194 73 HG22 ILE 10 HG22 ILE 10 0.703 -4.915 -17.194 74 HG23 ILE 10 HG23 ILE 10 1.575 -6.434 -17.395 75 HD11 ILE 10 HD11 ILE 10 0.263 -3.631 -15.609 76 HD12 ILE 10 HD12 ILE 10 -1.456 -3.763 -15.236 77 HD13 ILE 10 HD13 ILE 10 -0.294 -3.460 -13.945 78 HA PRO 11 HA PRO 11 3.864 -10.033 -16.924 79 HB2 PRO 11 HB2 PRO 11 2.879 -10.546 -19.402 80 HB3 PRO 11 HB3 PRO 11 2.410 -11.471 -17.970 81 HG2 PRO 11 HG2 PRO 11 0.967 -9.230 -19.334 82 HG3 PRO 11 HG3 PRO 11 0.319 -10.750 -18.690 83 HD2 PRO 11 HD2 PRO 11 0.128 -8.403 -17.354 84 HD3 PRO 11 HD3 PRO 11 0.285 -9.964 -16.524 85 H HIS 12 H HIS 12 5.606 -8.863 -17.431 86 HA HIS 12 HA HIS 12 5.368 -6.827 -19.546 87 HB2 HIS 12 HB2 HIS 12 7.558 -6.898 -17.481 88 HB3 HIS 12 HB3 HIS 12 7.046 -5.548 -18.488 89 HD1 HIS 12 HD1 HIS 12 7.022 -6.320 -15.145 90 HD2 HIS 12 HD2 HIS 12 3.991 -5.181 -17.747 91 HE1 HIS 12 HE1 HIS 12 5.198 -5.387 -13.686 92 H LYS 13 H LYS 13 7.310 -6.501 -20.878 93 HA LYS 13 HA LYS 13 8.655 -9.068 -21.394 94 HB2 LYS 13 HB2 LYS 13 7.231 -8.221 -23.226 95 HB3 LYS 13 HB3 LYS 13 8.192 -6.748 -23.279 96 HG2 LYS 13 HG2 LYS 13 8.904 -8.171 -25.052 97 HG3 LYS 13 HG3 LYS 13 10.179 -8.139 -23.831 98 HD2 LYS 13 HD2 LYS 13 9.621 -10.295 -23.049 99 HD3 LYS 13 HD3 LYS 13 8.080 -10.292 -23.910 100 HE2 LYS 13 HE2 LYS 13 9.196 -10.442 -26.027 101 HE3 LYS 13 HE3 LYS 13 10.771 -10.221 -25.268 102 HZ1 LYS 13 HZ1 LYS 13 9.175 -12.604 -25.526 103 HZ2 LYS 13 HZ2 LYS 13 9.783 -12.367 -23.966 104 HZ3 LYS 13 HZ3 LYS 13 10.842 -12.439 -25.283 105 H GLN 14 H GLN 14 10.667 -9.143 -20.661 106 HA GLN 14 HA GLN 14 12.170 -6.794 -20.035 107 HB2 GLN 14 HB2 GLN 14 12.334 -8.947 -18.779 108 HB3 GLN 14 HB3 GLN 14 13.140 -9.652 -20.175 109 HG2 GLN 14 HG2 GLN 14 14.779 -9.020 -18.545 110 HG3 GLN 14 HG3 GLN 14 14.927 -7.970 -19.954 111 HE21 GLN 14 HE21 GLN 14 16.039 -6.480 -18.607 112 HE22 GLN 14 HE22 GLN 14 15.167 -5.438 -17.540 113 H VAL 15 H VAL 15 13.831 -5.848 -21.119 114 HA VAL 15 HA VAL 15 14.883 -7.092 -23.533 115 HB VAL 15 HB VAL 15 14.548 -4.966 -24.831 116 HG11 VAL 15 HG11 VAL 15 12.164 -6.592 -23.969 117 HG12 VAL 15 HG12 VAL 15 12.119 -5.435 -25.302 118 HG13 VAL 15 HG13 VAL 15 13.190 -6.835 -25.383 119 HG21 VAL 15 HG21 VAL 15 14.102 -3.432 -23.034 120 HG22 VAL 15 HG22 VAL 15 12.688 -3.498 -24.084 121 HG23 VAL 15 HG23 VAL 15 12.682 -4.353 -22.542 122 H LYS 16 H LYS 16 16.824 -6.093 -24.313 123 HA LYS 16 HA LYS 16 18.407 -4.972 -22.177 124 HB2 LYS 16 HB2 LYS 16 19.224 -5.493 -25.038 125 HB3 LYS 16 HB3 LYS 16 20.291 -5.256 -23.660 126 HG2 LYS 16 HG2 LYS 16 19.069 -7.342 -22.701 127 HG3 LYS 16 HG3 LYS 16 18.635 -7.627 -24.388 128 HD2 LYS 16 HD2 LYS 16 20.615 -8.809 -24.184 129 HD3 LYS 16 HD3 LYS 16 21.171 -7.263 -24.831 130 HE2 LYS 16 HE2 LYS 16 22.108 -6.614 -22.833 131 HE3 LYS 16 HE3 LYS 16 21.037 -7.635 -21.876 132 HZ1 LYS 16 HZ1 LYS 16 23.609 -8.206 -22.499 133 HZ2 LYS 16 HZ2 LYS 16 22.753 -9.121 -23.634 134 HZ3 LYS 16 HZ3 LYS 16 22.458 -9.331 -21.981 135 H LEU 17 H LEU 17 19.099 -2.915 -21.966 136 HA LEU 17 HA LEU 17 17.941 -0.931 -23.759 137 HB2 LEU 17 HB2 LEU 17 19.299 -0.749 -21.083 138 HB3 LEU 17 HB3 LEU 17 18.860 0.675 -22.026 139 HG LEU 17 HG LEU 17 16.715 -1.292 -21.434 140 HD11 LEU 17 HD11 LEU 17 16.339 -0.070 -19.247 141 HD12 LEU 17 HD12 LEU 17 18.009 0.481 -19.383 142 HD13 LEU 17 HD13 LEU 17 17.656 -1.244 -19.277 143 HD21 LEU 17 HD21 LEU 17 16.090 0.578 -22.736 144 HD22 LEU 17 HD22 LEU 17 16.948 1.697 -21.676 145 HD23 LEU 17 HD23 LEU 17 15.483 0.893 -21.111 146 HA PRO 18 HA PRO 18 21.641 0.092 -25.888 147 HB2 PRO 18 HB2 PRO 18 21.396 2.783 -26.159 148 HB3 PRO 18 HB3 PRO 18 20.409 1.631 -27.067 149 HG2 PRO 18 HG2 PRO 18 19.727 3.175 -24.595 150 HG3 PRO 18 HG3 PRO 18 18.737 2.875 -26.034 151 HD2 PRO 18 HD2 PRO 18 18.434 1.471 -23.738 152 HD3 PRO 18 HD3 PRO 18 18.145 0.759 -25.339 153 H ASN 19 H ASN 19 21.033 1.313 -22.754 154 HA ASN 19 HA ASN 19 23.483 2.792 -22.476 155 HB2 ASN 19 HB2 ASN 19 21.790 1.768 -20.204 156 HB3 ASN 19 HB3 ASN 19 22.814 3.200 -20.245 157 HD21 ASN 19 HD21 ASN 19 19.732 2.252 -20.179 158 HD22 ASN 19 HD22 ASN 19 18.979 3.568 -21.009 159 H GLY 20 H GLY 20 22.547 -0.496 -22.239 160 HA2 GLY 20 HA2 GLY 20 24.337 -2.145 -22.259 161 HA3 GLY 20 HA3 GLY 20 25.196 -1.136 -21.104 162 H GLN 21 H GLN 21 22.559 -0.673 -19.683 163 HA GLN 21 HA GLN 21 22.699 -3.102 -18.062 164 HB2 GLN 21 HB2 GLN 21 21.279 -0.516 -17.420 165 HB3 GLN 21 HB3 GLN 21 21.660 -1.824 -16.308 166 HG2 GLN 21 HG2 GLN 21 24.051 -1.369 -16.614 167 HG3 GLN 21 HG3 GLN 21 23.644 -0.032 -17.688 168 HE21 GLN 21 HE21 GLN 21 23.903 1.836 -16.718 169 HE22 GLN 21 HE22 GLN 21 23.517 2.197 -15.073 170 H LEU 22 H LEU 22 20.587 -3.816 -17.053 171 HA LEU 22 HA LEU 22 18.634 -4.141 -19.194 172 HB2 LEU 22 HB2 LEU 22 19.063 -5.527 -16.561 173 HB3 LEU 22 HB3 LEU 22 17.641 -5.815 -17.562 174 HG LEU 22 HG LEU 22 20.507 -6.394 -18.308 175 HD11 LEU 22 HD11 LEU 22 19.990 -8.664 -18.065 176 HD12 LEU 22 HD12 LEU 22 18.256 -8.351 -17.985 177 HD13 LEU 22 HD13 LEU 22 19.298 -7.893 -16.637 178 HD21 LEU 22 HD21 LEU 22 17.950 -6.756 -19.866 179 HD22 LEU 22 HD22 LEU 22 19.512 -7.442 -20.317 180 HD23 LEU 22 HD23 LEU 22 19.299 -5.693 -20.270 181 H CYS 23 H CYS 23 16.339 -3.960 -18.754 182 HA CYS 23 HA CYS 23 15.560 -1.519 -17.737 183 HB2 CYS 23 HB2 CYS 23 13.851 -4.012 -17.872 184 HB3 CYS 23 HB3 CYS 23 13.271 -2.351 -17.830 185 H LYS 24 H LYS 24 14.139 -1.046 -15.886 186 HA LYS 24 HA LYS 24 15.178 -2.338 -13.481 187 HB2 LYS 24 HB2 LYS 24 13.903 0.298 -14.076 188 HB3 LYS 24 HB3 LYS 24 13.800 -0.339 -12.441 189 HG2 LYS 24 HG2 LYS 24 16.391 0.003 -13.928 190 HG3 LYS 24 HG3 LYS 24 15.703 1.227 -12.858 191 HD2 LYS 24 HD2 LYS 24 16.269 0.093 -10.995 192 HD3 LYS 24 HD3 LYS 24 15.875 -1.474 -11.708 193 HE2 LYS 24 HE2 LYS 24 17.980 -1.797 -12.490 194 HE3 LYS 24 HE3 LYS 24 18.250 -0.080 -12.789 195 HZ1 LYS 24 HZ1 LYS 24 19.315 -1.493 -10.749 196 HZ2 LYS 24 HZ2 LYS 24 17.996 -0.745 -10.001 197 HZ3 LYS 24 HZ3 LYS 24 19.164 0.192 -10.787 198 H GLU 25 H GLU 25 13.823 -3.087 -11.808 199 HA GLU 25 HA GLU 25 11.287 -4.140 -12.771 200 HB2 GLU 25 HB2 GLU 25 12.522 -4.647 -10.071 201 HB3 GLU 25 HB3 GLU 25 11.357 -5.639 -10.937 202 HG2 GLU 25 HG2 GLU 25 13.561 -5.466 -12.631 203 HG3 GLU 25 HG3 GLU 25 14.231 -5.690 -11.015 204 HA PRO 26 HA PRO 26 8.684 -1.313 -10.649 205 HB2 PRO 26 HB2 PRO 26 6.589 -2.916 -10.009 206 HB3 PRO 26 HB3 PRO 26 6.915 -2.375 -11.661 207 HG2 PRO 26 HG2 PRO 26 7.571 -4.991 -10.358 208 HG3 PRO 26 HG3 PRO 26 6.922 -4.679 -11.978 209 HD2 PRO 26 HD2 PRO 26 9.537 -5.223 -11.539 210 HD3 PRO 26 HD3 PRO 26 8.992 -4.152 -12.846 211 H GLY 27 H GLY 27 9.111 -0.510 -8.694 212 HA2 GLY 27 HA2 GLY 27 8.569 -0.576 -6.333 213 HA3 GLY 27 HA3 GLY 27 8.858 -2.309 -6.369 214 H ASP 28 H ASP 28 11.297 -2.061 -7.958 215 HA ASP 28 HA ASP 28 13.108 -1.539 -5.769 216 HB2 ASP 28 HB2 ASP 28 13.319 -2.784 -8.472 217 HB3 ASP 28 HB3 ASP 28 14.791 -2.160 -7.731 218 H SER 29 H SER 29 14.884 -0.096 -5.842 219 HA SER 29 HA SER 29 14.272 2.466 -6.831 220 HB2 SER 29 HB2 SER 29 16.407 3.146 -5.971 221 HB3 SER 29 HB3 SER 29 15.758 1.939 -4.860 222 HG SER 29 HG SER 29 17.260 0.544 -5.466 223 H CYS 30 H CYS 30 15.274 3.712 -8.456 224 HA CYS 30 HA CYS 30 16.658 2.154 -10.537 225 HB2 CYS 30 HB2 CYS 30 14.853 4.454 -11.218 226 HB3 CYS 30 HB3 CYS 30 15.385 3.124 -12.241 227 H SER 31 H SER 31 17.623 3.795 -12.221 228 HA SER 31 HA SER 31 19.178 5.735 -10.655 229 HB2 SER 31 HB2 SER 31 20.001 3.734 -12.411 230 HB3 SER 31 HB3 SER 31 20.176 5.223 -13.339 231 HG SER 31 HG SER 31 21.772 4.292 -11.451 232 H LYS 32 H LYS 32 17.168 5.359 -13.495 233 HA LYS 32 HA LYS 32 16.689 8.203 -13.571 234 HB2 LYS 32 HB2 LYS 32 18.196 6.788 -15.751 235 HB3 LYS 32 HB3 LYS 32 17.200 8.191 -16.114 236 HG2 LYS 32 HG2 LYS 32 18.515 9.449 -14.387 237 HG3 LYS 32 HG3 LYS 32 19.601 8.059 -14.309 238 HD2 LYS 32 HD2 LYS 32 20.720 9.216 -15.902 239 HD3 LYS 32 HD3 LYS 32 19.545 8.438 -16.968 240 HE2 LYS 32 HE2 LYS 32 18.912 11.070 -15.694 241 HE3 LYS 32 HE3 LYS 32 19.939 11.006 -17.125 242 HZ1 LYS 32 HZ1 LYS 32 18.071 9.623 -18.129 243 HZ2 LYS 32 HZ2 LYS 32 17.802 11.285 -17.956 244 HZ3 LYS 32 HZ3 LYS 32 17.112 10.198 -16.858 245 H ARG 33 H ARG 33 14.862 8.777 -14.842 246 HA ARG 33 HA ARG 33 12.748 6.986 -14.782 247 HB2 ARG 33 HB2 ARG 33 12.723 9.546 -15.039 248 HB3 ARG 33 HB3 ARG 33 12.890 9.245 -16.763 249 HG2 ARG 33 HG2 ARG 33 10.809 8.078 -16.835 250 HG3 ARG 33 HG3 ARG 33 10.672 8.117 -15.075 251 HD2 ARG 33 HD2 ARG 33 10.792 10.597 -16.776 252 HD3 ARG 33 HD3 ARG 33 9.279 9.808 -16.330 253 HE ARG 33 HE ARG 33 10.711 10.244 -13.987 254 HH11 ARG 33 HH11 ARG 33 9.214 12.114 -16.513 255 HH12 ARG 33 HH12 ARG 33 8.865 13.465 -15.486 256 HH21 ARG 33 HH21 ARG 33 10.258 12.016 -12.625 257 HH22 ARG 33 HH22 ARG 33 9.461 13.408 -13.274 258 H ASP 34 H ASP 34 15.095 7.596 -17.305 259 HA ASP 34 HA ASP 34 13.755 6.258 -19.404 260 HB2 ASP 34 HB2 ASP 34 16.682 6.843 -18.937 261 HB3 ASP 34 HB3 ASP 34 16.066 6.112 -20.417 262 H GLU 35 H GLU 35 15.579 5.145 -16.687 263 HA GLU 35 HA GLU 35 16.353 2.614 -17.661 264 HB2 GLU 35 HB2 GLU 35 15.750 3.448 -14.818 265 HB3 GLU 35 HB3 GLU 35 16.626 2.000 -15.297 266 HG2 GLU 35 HG2 GLU 35 17.484 4.861 -15.534 267 HG3 GLU 35 HG3 GLU 35 18.262 3.548 -14.653 268 H CYS 36 H CYS 36 13.369 3.826 -16.308 269 HA CYS 36 HA CYS 36 12.174 1.291 -15.808 270 HB2 CYS 36 HB2 CYS 36 11.545 3.834 -15.111 271 HB3 CYS 36 HB3 CYS 36 10.402 3.577 -16.425 272 H CYS 37 H CYS 37 11.524 -0.137 -17.261 273 HA CYS 37 HA CYS 37 11.305 0.550 -20.045 274 HB2 CYS 37 HB2 CYS 37 11.427 -1.894 -18.441 275 HB3 CYS 37 HB3 CYS 37 10.311 -2.015 -19.797 276 H LYS 38 H LYS 38 9.305 -0.684 -21.165 277 HA LYS 38 HA LYS 38 6.906 0.503 -19.945 278 HB2 LYS 38 HB2 LYS 38 7.213 -0.255 -22.845 279 HB3 LYS 38 HB3 LYS 38 6.015 0.811 -22.121 280 HG2 LYS 38 HG2 LYS 38 7.881 2.378 -21.553 281 HG3 LYS 38 HG3 LYS 38 8.948 1.349 -22.511 282 HD2 LYS 38 HD2 LYS 38 6.431 2.235 -23.793 283 HD3 LYS 38 HD3 LYS 38 7.669 3.464 -23.531 284 HE2 LYS 38 HE2 LYS 38 8.145 0.829 -24.916 285 HE3 LYS 38 HE3 LYS 38 7.805 2.344 -25.750 286 HZ1 LYS 38 HZ1 LYS 38 10.003 2.613 -25.734 287 HZ2 LYS 38 HZ2 LYS 38 10.250 1.420 -24.563 288 HZ3 LYS 38 HZ3 LYS 38 9.846 2.994 -24.094 289 H ALA 39 H ALA 39 5.086 -0.699 -19.636 290 HA ALA 39 HA ALA 39 5.340 -3.495 -19.382 291 HB1 ALA 39 HB1 ALA 39 3.808 -2.072 -18.040 292 HB2 ALA 39 HB2 ALA 39 2.779 -1.909 -19.464 293 HB3 ALA 39 HB3 ALA 39 3.030 -3.494 -18.733 294 H ASP 40 H ASP 40 3.807 -5.075 -20.398 295 HA ASP 40 HA ASP 40 4.231 -5.294 -23.121 296 HB2 ASP 40 HB2 ASP 40 2.230 -6.548 -21.265 297 HB3 ASP 40 HB3 ASP 40 2.173 -6.888 -22.993 298 H ASP 41 H ASP 41 1.428 -3.965 -21.417 299 HA ASP 41 HA ASP 41 0.359 -3.044 -24.001 300 HB2 ASP 41 HB2 ASP 41 -1.021 -4.520 -22.354 301 HB3 ASP 41 HB3 ASP 41 -1.216 -3.023 -21.446 302 H GLN 42 H GLN 42 2.390 -1.533 -23.301 303 HA GLN 42 HA GLN 42 2.101 0.503 -21.460 304 HB2 GLN 42 HB2 GLN 42 3.582 1.838 -22.966 305 HB3 GLN 42 HB3 GLN 42 4.176 0.217 -22.630 306 HG2 GLN 42 HG2 GLN 42 3.324 -0.534 -24.800 307 HG3 GLN 42 HG3 GLN 42 2.767 1.103 -25.136 308 HE21 GLN 42 HE21 GLN 42 4.135 2.495 -26.042 309 HE22 GLN 42 HE22 GLN 42 5.822 2.219 -26.288 310 H LYS 43 H LYS 43 0.545 0.092 -24.545 311 HA LYS 43 HA LYS 43 -0.297 2.697 -25.060 312 HB2 LYS 43 HB2 LYS 43 -1.902 0.199 -25.614 313 HB3 LYS 43 HB3 LYS 43 -1.990 1.732 -26.473 314 HG2 LYS 43 HG2 LYS 43 -0.553 0.891 -27.933 315 HG3 LYS 43 HG3 LYS 43 0.676 0.970 -26.668 316 HD2 LYS 43 HD2 LYS 43 0.806 -1.247 -27.243 317 HD3 LYS 43 HD3 LYS 43 -0.385 -1.323 -25.943 318 HE2 LYS 43 HE2 LYS 43 -1.197 -2.649 -27.752 319 HE3 LYS 43 HE3 LYS 43 -2.173 -1.183 -27.682 320 HZ1 LYS 43 HZ1 LYS 43 -0.568 -2.164 -29.806 321 HZ2 LYS 43 HZ2 LYS 43 -0.074 -0.606 -29.370 322 HZ3 LYS 43 HZ3 LYS 43 -1.683 -0.890 -29.809 323 H THR 44 H THR 44 -1.489 0.331 -22.792 324 HA THR 44 HA THR 44 -3.688 2.138 -22.047 325 HB THR 44 HB THR 44 -4.549 0.138 -20.752 326 HG1 THR 44 HG1 THR 44 -3.628 -1.825 -21.130 327 HG21 THR 44 HG21 THR 44 -5.046 0.907 -23.269 328 HG22 THR 44 HG22 THR 44 -5.813 -0.500 -22.533 329 HG23 THR 44 HG23 THR 44 -4.416 -0.709 -23.588 330 H TYR 45 H TYR 45 -0.959 0.301 -20.772 331 HA TYR 45 HA TYR 45 -1.324 1.544 -18.145 332 HB2 TYR 45 HB2 TYR 45 0.764 -0.509 -18.860 333 HB3 TYR 45 HB3 TYR 45 0.122 -0.113 -17.269 334 HD1 TYR 45 HD1 TYR 45 -2.808 -0.116 -17.939 335 HD2 TYR 45 HD2 TYR 45 0.314 -2.814 -18.981 336 HE1 TYR 45 HE1 TYR 45 -4.455 -1.931 -18.150 337 HE2 TYR 45 HE2 TYR 45 -1.326 -4.636 -19.194 338 HH TYR 45 HH TYR 45 -4.795 -4.051 -18.728 339 H SER 46 H SER 46 0.127 2.939 -17.255 340 HA SER 46 HA SER 46 2.161 4.012 -19.077 341 HB2 SER 46 HB2 SER 46 0.988 5.871 -18.453 342 HB3 SER 46 HB3 SER 46 0.477 5.164 -16.920 343 HG SER 46 HG SER 46 2.106 6.097 -15.992 344 H SER 47 H SER 47 4.245 3.657 -18.715 345 HA SER 47 HA SER 47 5.044 2.573 -16.101 346 HB2 SER 47 HB2 SER 47 6.813 1.432 -17.183 347 HB3 SER 47 HB3 SER 47 5.430 1.240 -18.259 348 HG SER 47 HG SER 47 6.322 3.198 -19.334 349 H GLY 48 H GLY 48 6.845 3.378 -15.016 350 HA2 GLY 48 HA2 GLY 48 8.649 5.284 -15.946 351 HA3 GLY 48 HA3 GLY 48 7.289 6.165 -15.265 352 H CYS 49 H CYS 49 9.957 6.250 -14.293 353 HA CYS 49 HA CYS 49 9.566 5.043 -11.634 354 HB2 CYS 49 HB2 CYS 49 11.437 4.066 -13.133 355 HB3 CYS 49 HB3 CYS 49 12.291 5.567 -12.790 356 H ALA 50 H ALA 50 8.980 6.681 -10.356 357 HA ALA 50 HA ALA 50 10.633 9.119 -10.406 358 HB1 ALA 50 HB1 ALA 50 8.675 9.958 -11.274 359 HB2 ALA 50 HB2 ALA 50 7.661 8.851 -10.349 360 HB3 ALA 50 HB3 ALA 50 8.427 10.223 -9.549 361 H GLN 51 H GLN 51 10.828 10.232 -8.377 362 HA GLN 51 HA GLN 51 11.370 8.559 -6.208 363 HB2 GLN 51 HB2 GLN 51 10.816 11.528 -6.112 364 HB3 GLN 51 HB3 GLN 51 11.701 10.589 -4.915 365 HG2 GLN 51 HG2 GLN 51 13.527 10.278 -6.342 366 HG3 GLN 51 HG3 GLN 51 12.606 10.760 -7.765 367 HE21 GLN 51 HE21 GLN 51 12.476 12.875 -8.305 368 HE22 GLN 51 HE22 GLN 51 13.280 14.143 -7.451 369 H THR 52 H THR 52 10.274 8.005 -4.376 370 HA THR 52 HA THR 52 7.640 9.124 -3.860 371 HB THR 52 HB THR 52 6.589 6.871 -3.700 372 HG1 THR 52 HG1 THR 52 8.085 5.338 -3.679 373 HG21 THR 52 HG21 THR 52 7.659 7.663 -6.411 374 HG22 THR 52 HG22 THR 52 6.165 8.226 -5.661 375 HG23 THR 52 HG23 THR 52 6.329 6.537 -6.142 376 H TRP 53 H TRP 53 7.264 9.284 -1.736 377 HA TRP 53 HA TRP 53 9.183 8.811 0.187 378 HB2 TRP 53 HB2 TRP 53 7.358 10.309 0.643 379 HB3 TRP 53 HB3 TRP 53 6.181 9.010 0.471 380 HD1 TRP 53 HD1 TRP 53 5.770 7.444 2.555 381 HE1 TRP 53 HE1 TRP 53 6.499 7.573 5.021 382 HE3 TRP 53 HE3 TRP 53 9.351 11.072 2.156 383 HZ2 TRP 53 HZ2 TRP 53 8.347 9.020 6.588 384 HZ3 TRP 53 HZ3 TRP 53 10.553 11.770 4.186 385 HH2 TRP 53 HH2 TRP 53 10.059 10.766 6.356 386 H SER 54 H SER 54 10.076 6.931 0.715 387 HA SER 54 HA SER 54 8.387 4.527 0.794 388 HB2 SER 54 HB2 SER 54 10.263 4.242 -0.675 389 HB3 SER 54 HB3 SER 54 11.382 4.866 0.538 390 HG SER 54 HG SER 54 9.828 2.630 1.181 391 H ALA 55 H ALA 55 7.760 3.817 2.713 392 HA ALA 55 HA ALA 55 8.799 4.905 5.144 393 HB1 ALA 55 HB1 ALA 55 7.203 3.387 6.243 394 HB2 ALA 55 HB2 ALA 55 6.451 4.341 4.963 395 HB3 ALA 55 HB3 ALA 55 6.855 2.648 4.680 396 H MET 56 H MET 56 9.015 1.762 3.520 397 HA MET 56 HA MET 56 10.430 0.422 5.551 398 HB2 MET 56 HB2 MET 56 10.180 -0.017 2.586 399 HB3 MET 56 HB3 MET 56 11.194 -1.051 3.582 400 HG2 MET 56 HG2 MET 56 8.277 -0.583 4.125 401 HG3 MET 56 HG3 MET 56 8.883 -1.901 3.125 402 HE1 MET 56 HE1 MET 56 9.856 -3.728 3.631 403 HE2 MET 56 HE2 MET 56 11.014 -3.903 4.951 404 HE3 MET 56 HE3 MET 56 9.399 -4.598 5.096 405 H GLU 57 H GLU 57 11.581 2.076 2.618 406 HA GLU 57 HA GLU 57 14.338 1.674 3.236 407 HB2 GLU 57 HB2 GLU 57 13.165 3.729 1.360 408 HB3 GLU 57 HB3 GLU 57 14.798 3.080 1.340 409 HG2 GLU 57 HG2 GLU 57 12.346 1.404 0.878 410 HG3 GLU 57 HG3 GLU 57 13.257 2.182 -0.415 411 H GLY 58 H GLY 58 11.996 4.202 3.861 412 HA2 GLY 58 HA2 GLY 58 12.081 5.929 5.389 413 HA3 GLY 58 HA3 GLY 58 13.652 5.334 5.904 414 H GLY 59 H GLY 59 12.831 6.232 2.603 415 HA2 GLY 59 HA2 GLY 59 13.864 8.873 2.724 416 HA3 GLY 59 HA3 GLY 59 15.106 7.760 2.168 417 H PHE 60 H PHE 60 13.630 9.985 0.817 418 HA PHE 60 HA PHE 60 11.801 9.037 -1.054 419 HB2 PHE 60 HB2 PHE 60 13.733 11.334 -1.054 420 HB3 PHE 60 HB3 PHE 60 12.766 10.988 -2.483 421 HD1 PHE 60 HD1 PHE 60 12.877 12.685 0.608 422 HD2 PHE 60 HD2 PHE 60 10.209 10.780 -2.108 423 HE1 PHE 60 HE1 PHE 60 10.997 13.936 1.584 424 HE2 PHE 60 HE2 PHE 60 8.324 12.030 -1.137 425 HZ PHE 60 HZ PHE 60 8.716 13.608 0.712 426 H VAL 61 H VAL 61 12.001 7.572 -2.600 427 HA VAL 61 HA VAL 61 14.518 7.386 -4.088 428 HB VAL 61 HB VAL 61 14.321 4.877 -4.049 429 HG11 VAL 61 HG11 VAL 61 15.054 4.851 -1.484 430 HG12 VAL 61 HG12 VAL 61 16.084 5.500 -2.762 431 HG13 VAL 61 HG13 VAL 61 15.115 6.591 -1.769 432 HG21 VAL 61 HG21 VAL 61 11.885 5.257 -2.982 433 HG22 VAL 61 HG22 VAL 61 12.813 3.771 -2.775 434 HG23 VAL 61 HG23 VAL 61 12.821 5.000 -1.509 435 H ARG 62 H ARG 62 14.314 6.630 -6.204 436 HA ARG 62 HA ARG 62 11.661 6.942 -7.329 437 HB2 ARG 62 HB2 ARG 62 14.292 6.400 -8.720 438 HB3 ARG 62 HB3 ARG 62 12.788 6.889 -9.491 439 HG2 ARG 62 HG2 ARG 62 12.954 9.058 -8.756 440 HG3 ARG 62 HG3 ARG 62 13.966 8.625 -7.375 441 HD2 ARG 62 HD2 ARG 62 15.876 8.359 -8.734 442 HD3 ARG 62 HD3 ARG 62 14.918 8.360 -10.214 443 HE ARG 62 HE ARG 62 15.921 10.637 -8.822 444 HH11 ARG 62 HH11 ARG 62 13.294 9.494 -10.801 445 HH12 ARG 62 HH12 ARG 62 12.910 11.064 -11.426 446 HH21 ARG 62 HH21 ARG 62 15.424 12.708 -9.638 447 HH22 ARG 62 HH22 ARG 62 14.122 12.891 -10.764 448 H GLU 63 H GLU 63 10.341 5.248 -7.359 449 HA GLU 63 HA GLU 63 11.482 2.594 -7.943 450 HB2 GLU 63 HB2 GLU 63 9.648 1.614 -6.687 451 HB3 GLU 63 HB3 GLU 63 10.509 2.774 -5.684 452 HG2 GLU 63 HG2 GLU 63 8.742 4.450 -6.261 453 HG3 GLU 63 HG3 GLU 63 7.848 3.141 -7.033 454 H CYS 64 H CYS 64 10.689 1.452 -9.621 455 HA CYS 64 HA CYS 64 9.190 2.749 -11.621 456 HB2 CYS 64 HB2 CYS 64 10.291 0.026 -11.201 457 HB3 CYS 64 HB3 CYS 64 8.977 0.173 -12.365 458 H TYR 65 H TYR 65 7.074 2.572 -12.264 459 HA TYR 65 HA TYR 65 5.272 0.914 -10.658 460 HB2 TYR 65 HB2 TYR 65 3.673 2.860 -10.530 461 HB3 TYR 65 HB3 TYR 65 5.121 3.020 -9.543 462 HD1 TYR 65 HD1 TYR 65 3.582 4.083 -12.746 463 HD2 TYR 65 HD2 TYR 65 6.569 4.854 -9.819 464 HE1 TYR 65 HE1 TYR 65 4.062 6.246 -13.815 465 HE2 TYR 65 HE2 TYR 65 7.059 7.019 -10.877 466 HH TYR 65 HH TYR 65 5.269 8.103 -13.750 467 H ILE 66 H ILE 66 3.388 0.277 -11.705 468 HA ILE 66 HA ILE 66 3.034 1.151 -14.483 469 HB ILE 66 HB ILE 66 3.156 -1.734 -13.593 470 HG12 ILE 66 HG12 ILE 66 4.814 -0.394 -15.723 471 HG13 ILE 66 HG13 ILE 66 5.315 -0.404 -14.036 472 HG21 ILE 66 HG21 ILE 66 2.769 -2.212 -16.022 473 HG22 ILE 66 HG22 ILE 66 1.380 -1.541 -15.168 474 HG23 ILE 66 HG23 ILE 66 2.348 -0.511 -16.224 475 HD11 ILE 66 HD11 ILE 66 5.035 -2.703 -15.926 476 HD12 ILE 66 HD12 ILE 66 6.434 -2.206 -14.974 477 HD13 ILE 66 HD13 ILE 66 5.044 -2.946 -14.179 478 H CYS 67 H CYS 67 1.068 2.030 -14.467 479 HA CYS 67 HA CYS 67 -1.157 0.428 -13.431 480 HB2 CYS 67 HB2 CYS 67 -0.342 3.142 -12.546 481 HB3 CYS 67 HB3 CYS 67 -2.065 2.875 -12.786 482 H ALA 68 H ALA 68 -3.243 1.043 -14.318 483 HA ALA 68 HA ALA 68 -3.029 1.718 -17.108 484 HB1 ALA 68 HB1 ALA 68 -4.870 0.489 -17.284 485 HB2 ALA 68 HB2 ALA 68 -4.798 0.218 -15.542 486 HB3 ALA 68 HB3 ALA 68 -5.745 1.559 -16.187 487 H VAL 69 H VAL 69 -4.131 3.420 -18.170 488 HA VAL 69 HA VAL 69 -4.092 5.894 -16.717 489 HB VAL 69 HB VAL 69 -5.112 5.464 -19.523 490 HG11 VAL 69 HG11 VAL 69 -5.068 7.716 -17.909 491 HG12 VAL 69 HG12 VAL 69 -3.663 7.908 -18.958 492 HG13 VAL 69 HG13 VAL 69 -5.265 7.681 -19.661 493 HG21 VAL 69 HG21 VAL 69 -2.394 5.296 -18.441 494 HG22 VAL 69 HG22 VAL 69 -3.045 4.710 -19.972 495 HG23 VAL 69 HG23 VAL 69 -2.566 6.399 -19.807 496 H GLU 70 H GLU 70 -6.610 3.929 -18.269 497 HA GLU 70 HA GLU 70 -8.722 5.695 -17.452 498 HB2 GLU 70 HB2 GLU 70 -9.165 2.856 -18.312 499 HB3 GLU 70 HB3 GLU 70 -10.176 4.267 -18.590 500 HG2 GLU 70 HG2 GLU 70 -7.963 4.999 -19.933 501 HG3 GLU 70 HG3 GLU 70 -7.880 3.248 -20.118 502 H SER 71 H SER 71 -7.303 2.708 -16.274 503 HA SER 71 HA SER 71 -9.290 2.511 -14.145 504 HB2 SER 71 HB2 SER 71 -8.665 0.439 -15.275 505 HB3 SER 71 HB3 SER 71 -6.970 0.703 -14.866 506 HG SER 71 HG SER 71 -8.082 -0.750 -13.430 507 H SER 72 H SER 72 -8.550 4.560 -13.199 508 HA SER 72 HA SER 72 -6.000 5.020 -12.189 509 HB2 SER 72 HB2 SER 72 -8.723 6.047 -11.593 510 HB3 SER 72 HB3 SER 72 -7.486 6.325 -10.365 511 HG SER 72 HG SER 72 -6.562 7.732 -11.631 512 H MET 73 H MET 73 -8.616 3.073 -10.937 513 HA MET 73 HA MET 73 -7.741 2.776 -8.290 514 HB2 MET 73 HB2 MET 73 -9.109 0.727 -8.265 515 HB3 MET 73 HB3 MET 73 -9.963 2.081 -8.994 516 HG2 MET 73 HG2 MET 73 -9.201 1.149 -11.233 517 HG3 MET 73 HG3 MET 73 -8.759 -0.307 -10.344 518 HE1 MET 73 HE1 MET 73 -10.099 -2.030 -11.218 519 HE2 MET 73 HE2 MET 73 -11.840 -2.035 -11.495 520 HE3 MET 73 HE3 MET 73 -10.782 -1.097 -12.549 521 H CYS 74 H CYS 74 -6.829 1.115 -11.252 522 HA CYS 74 HA CYS 74 -5.102 -0.278 -11.752 523 HB2 CYS 74 HB2 CYS 74 -3.943 1.554 -10.260 524 HB3 CYS 74 HB3 CYS 74 -3.817 0.237 -9.099 Start of MODEL 8 1 H1 SER 1 H SER 1 2.842 2.259 -0.709 2 HA SER 1 HA SER 1 0.724 1.151 -2.134 3 HB2 SER 1 HB2 SER 1 3.455 2.122 -2.896 4 HB3 SER 1 HB3 SER 1 2.458 1.310 -4.104 5 HG SER 1 HG SER 1 2.321 3.754 -3.724 6 H ASN 2 H ASN 2 0.200 -0.922 -2.286 7 HA ASN 2 HA ASN 2 1.975 -3.059 -1.783 8 HB2 ASN 2 HB2 ASN 2 -0.686 -3.141 -3.223 9 HB3 ASN 2 HB3 ASN 2 0.143 -4.510 -2.488 10 HD21 ASN 2 HD21 ASN 2 -2.393 -4.011 -1.763 11 HD22 ASN 2 HD22 ASN 2 -2.456 -3.382 -0.155 12 H ARG 3 H ARG 3 2.106 -4.935 -3.456 13 HA ARG 3 HA ARG 3 3.820 -4.171 -5.502 14 HB2 ARG 3 HB2 ARG 3 3.481 -6.463 -6.398 15 HB3 ARG 3 HB3 ARG 3 3.809 -6.436 -4.672 16 HG2 ARG 3 HG2 ARG 3 1.183 -6.432 -4.510 17 HG3 ARG 3 HG3 ARG 3 1.316 -7.146 -6.121 18 HD2 ARG 3 HD2 ARG 3 1.223 -8.902 -4.471 19 HD3 ARG 3 HD3 ARG 3 2.831 -8.862 -5.194 20 HE ARG 3 HE ARG 3 2.798 -7.295 -2.851 21 HH11 ARG 3 HH11 ARG 3 2.707 -10.614 -3.898 22 HH12 ARG 3 HH12 ARG 3 3.443 -11.226 -2.454 23 HH21 ARG 3 HH21 ARG 3 3.766 -8.090 -0.943 24 HH22 ARG 3 HH22 ARG 3 4.045 -9.789 -0.773 25 H TRP 4 H TRP 4 0.347 -4.856 -5.616 26 HA TRP 4 HA TRP 4 -0.080 -4.765 -8.342 27 HB2 TRP 4 HB2 TRP 4 -1.930 -3.588 -6.262 28 HB3 TRP 4 HB3 TRP 4 -2.376 -4.206 -7.849 29 HD1 TRP 4 HD1 TRP 4 -2.516 -5.213 -4.389 30 HE1 TRP 4 HE1 TRP 4 -2.693 -7.769 -4.140 31 HE3 TRP 4 HE3 TRP 4 -1.165 -6.587 -9.124 32 HZ2 TRP 4 HZ2 TRP 4 -2.311 -10.063 -5.738 33 HZ3 TRP 4 HZ3 TRP 4 -1.094 -8.982 -9.683 34 HH2 TRP 4 HH2 TRP 4 -1.655 -10.683 -8.024 35 H ASN 5 H ASN 5 0.327 -2.107 -6.072 36 HA ASN 5 HA ASN 5 -0.478 0.012 -7.696 37 HB2 ASN 5 HB2 ASN 5 1.723 -0.003 -5.619 38 HB3 ASN 5 HB3 ASN 5 0.917 1.430 -6.252 39 HD21 ASN 5 HD21 ASN 5 -0.539 2.222 -4.937 40 HD22 ASN 5 HD22 ASN 5 -1.533 1.323 -3.848 41 H LEU 6 H LEU 6 2.558 -1.749 -7.568 42 HA LEU 6 HA LEU 6 3.790 0.033 -9.512 43 HB2 LEU 6 HB2 LEU 6 4.842 -2.466 -8.193 44 HB3 LEU 6 HB3 LEU 6 5.770 -1.383 -9.230 45 HG LEU 6 HG LEU 6 6.440 -0.812 -7.076 46 HD11 LEU 6 HD11 LEU 6 5.804 1.420 -6.826 47 HD12 LEU 6 HD12 LEU 6 4.177 1.123 -7.437 48 HD13 LEU 6 HD13 LEU 6 5.553 1.092 -8.539 49 HD21 LEU 6 HD21 LEU 6 4.211 -2.053 -6.207 50 HD22 LEU 6 HD22 LEU 6 3.771 -0.371 -5.908 51 HD23 LEU 6 HD23 LEU 6 5.234 -1.042 -5.186 52 H GLY 7 H GLY 7 1.498 -2.069 -9.904 53 HA2 GLY 7 HA2 GLY 7 0.809 -3.502 -11.564 54 HA3 GLY 7 HA3 GLY 7 1.857 -2.543 -12.601 55 H TYR 8 H TYR 8 3.025 -4.428 -9.887 56 HA TYR 8 HA TYR 8 5.013 -5.711 -11.393 57 HB2 TYR 8 HB2 TYR 8 5.304 -5.476 -9.027 58 HB3 TYR 8 HB3 TYR 8 3.823 -6.367 -8.697 59 HD1 TYR 8 HD1 TYR 8 6.751 -7.092 -10.904 60 HD2 TYR 8 HD2 TYR 8 4.359 -8.335 -7.612 61 HE1 TYR 8 HE1 TYR 8 8.046 -9.178 -10.758 62 HE2 TYR 8 HE2 TYR 8 5.648 -10.423 -7.456 63 HH TYR 8 HH TYR 8 8.408 -10.959 -8.445 64 H GLY 9 H GLY 9 1.880 -6.903 -10.204 65 HA2 GLY 9 HA2 GLY 9 2.034 -9.530 -11.068 66 HA3 GLY 9 HA3 GLY 9 0.540 -8.610 -10.957 67 H ILE 10 H ILE 10 1.093 -6.664 -12.918 68 HA ILE 10 HA ILE 10 0.153 -7.879 -15.220 69 HB ILE 10 HB ILE 10 1.787 -5.342 -15.074 70 HG12 ILE 10 HG12 ILE 10 -1.207 -5.759 -14.919 71 HG13 ILE 10 HG13 ILE 10 -0.166 -5.314 -13.572 72 HG21 ILE 10 HG21 ILE 10 -0.206 -6.234 -17.154 73 HG22 ILE 10 HG22 ILE 10 0.724 -4.736 -17.156 74 HG23 ILE 10 HG23 ILE 10 1.548 -6.283 -17.344 75 HD11 ILE 10 HD11 ILE 10 -1.412 -3.414 -14.519 76 HD12 ILE 10 HD12 ILE 10 0.338 -3.203 -14.605 77 HD13 ILE 10 HD13 ILE 10 -0.568 -3.654 -16.048 78 HA PRO 11 HA PRO 11 3.705 -9.962 -16.837 79 HB2 PRO 11 HB2 PRO 11 2.719 -10.455 -19.318 80 HB3 PRO 11 HB3 PRO 11 2.207 -11.354 -17.885 81 HG2 PRO 11 HG2 PRO 11 0.854 -9.073 -19.271 82 HG3 PRO 11 HG3 PRO 11 0.149 -10.565 -18.622 83 HD2 PRO 11 HD2 PRO 11 0.032 -8.205 -17.302 84 HD3 PRO 11 HD3 PRO 11 0.128 -9.765 -16.462 85 H HIS 12 H HIS 12 5.515 -8.968 -17.442 86 HA HIS 12 HA HIS 12 5.357 -6.914 -19.552 87 HB2 HIS 12 HB2 HIS 12 7.506 -7.008 -17.443 88 HB3 HIS 12 HB3 HIS 12 7.066 -5.666 -18.496 89 HD1 HIS 12 HD1 HIS 12 6.936 -6.364 -15.132 90 HD2 HIS 12 HD2 HIS 12 4.018 -5.157 -17.831 91 HE1 HIS 12 HE1 HIS 12 5.119 -5.326 -13.739 92 H LYS 13 H LYS 13 7.327 -6.676 -20.860 93 HA LYS 13 HA LYS 13 8.678 -9.270 -21.225 94 HB2 LYS 13 HB2 LYS 13 7.578 -7.287 -23.158 95 HB3 LYS 13 HB3 LYS 13 9.033 -8.161 -23.621 96 HG2 LYS 13 HG2 LYS 13 6.813 -9.784 -22.548 97 HG3 LYS 13 HG3 LYS 13 6.561 -9.041 -24.131 98 HD2 LYS 13 HD2 LYS 13 7.496 -11.165 -24.559 99 HD3 LYS 13 HD3 LYS 13 8.811 -10.010 -24.786 100 HE2 LYS 13 HE2 LYS 13 9.563 -11.962 -23.533 101 HE3 LYS 13 HE3 LYS 13 9.638 -10.506 -22.542 102 HZ1 LYS 13 HZ1 LYS 13 8.198 -11.355 -21.096 103 HZ2 LYS 13 HZ2 LYS 13 8.428 -12.848 -21.857 104 HZ3 LYS 13 HZ3 LYS 13 7.130 -11.861 -22.305 105 H GLN 14 H GLN 14 10.685 -9.181 -20.467 106 HA GLN 14 HA GLN 14 12.141 -6.854 -19.943 107 HB2 GLN 14 HB2 GLN 14 12.565 -9.128 -18.968 108 HB3 GLN 14 HB3 GLN 14 13.300 -9.588 -20.497 109 HG2 GLN 14 HG2 GLN 14 15.082 -9.025 -19.090 110 HG3 GLN 14 HG3 GLN 14 14.882 -7.643 -20.167 111 HE21 GLN 14 HE21 GLN 14 16.114 -6.555 -18.466 112 HE22 GLN 14 HE22 GLN 14 15.261 -5.902 -17.114 113 H VAL 15 H VAL 15 13.742 -5.760 -21.029 114 HA VAL 15 HA VAL 15 14.576 -6.638 -23.666 115 HB VAL 15 HB VAL 15 13.992 -4.399 -24.674 116 HG11 VAL 15 HG11 VAL 15 11.651 -6.101 -23.826 117 HG12 VAL 15 HG12 VAL 15 11.734 -5.046 -25.239 118 HG13 VAL 15 HG13 VAL 15 12.753 -6.483 -25.148 119 HG21 VAL 15 HG21 VAL 15 11.999 -4.189 -22.434 120 HG22 VAL 15 HG22 VAL 15 13.558 -3.368 -22.386 121 HG23 VAL 15 HG23 VAL 15 12.402 -2.988 -23.661 122 H LYS 16 H LYS 16 16.469 -5.658 -24.387 123 HA LYS 16 HA LYS 16 18.120 -4.545 -22.321 124 HB2 LYS 16 HB2 LYS 16 18.574 -5.197 -25.226 125 HB3 LYS 16 HB3 LYS 16 19.800 -4.390 -24.257 126 HG2 LYS 16 HG2 LYS 16 20.244 -6.251 -23.016 127 HG3 LYS 16 HG3 LYS 16 18.615 -6.903 -23.205 128 HD2 LYS 16 HD2 LYS 16 20.273 -6.672 -25.652 129 HD3 LYS 16 HD3 LYS 16 20.731 -7.912 -24.482 130 HE2 LYS 16 HE2 LYS 16 18.449 -8.806 -24.553 131 HE3 LYS 16 HE3 LYS 16 18.006 -7.576 -25.735 132 HZ1 LYS 16 HZ1 LYS 16 19.758 -8.516 -27.199 133 HZ2 LYS 16 HZ2 LYS 16 18.480 -9.582 -26.891 134 HZ3 LYS 16 HZ3 LYS 16 19.958 -9.782 -26.094 135 H LEU 17 H LEU 17 18.668 -2.472 -21.974 136 HA LEU 17 HA LEU 17 17.317 -0.433 -23.545 137 HB2 LEU 17 HB2 LEU 17 18.873 -0.368 -20.973 138 HB3 LEU 17 HB3 LEU 17 18.300 1.093 -21.775 139 HG LEU 17 HG LEU 17 16.302 -1.017 -21.158 140 HD11 LEU 17 HD11 LEU 17 16.039 0.062 -18.877 141 HD12 LEU 17 HD12 LEU 17 17.668 0.696 -19.104 142 HD13 LEU 17 HD13 LEU 17 17.396 -1.046 -19.078 143 HD21 LEU 17 HD21 LEU 17 16.320 1.998 -21.096 144 HD22 LEU 17 HD22 LEU 17 14.927 0.990 -20.699 145 HD23 LEU 17 HD23 LEU 17 15.597 0.967 -22.331 146 HA PRO 18 HA PRO 18 20.785 0.921 -25.870 147 HB2 PRO 18 HB2 PRO 18 20.398 3.608 -25.925 148 HB3 PRO 18 HB3 PRO 18 19.394 2.473 -26.837 149 HG2 PRO 18 HG2 PRO 18 18.843 3.807 -24.213 150 HG3 PRO 18 HG3 PRO 18 17.756 3.557 -25.591 151 HD2 PRO 18 HD2 PRO 18 17.701 1.983 -23.388 152 HD3 PRO 18 HD3 PRO 18 17.317 1.369 -25.008 153 H ASN 19 H ASN 19 20.382 1.871 -22.618 154 HA ASN 19 HA ASN 19 22.777 3.454 -22.422 155 HB2 ASN 19 HB2 ASN 19 20.710 2.455 -20.512 156 HB3 ASN 19 HB3 ASN 19 22.272 2.953 -19.867 157 HD21 ASN 19 HD21 ASN 19 19.362 3.977 -21.450 158 HD22 ASN 19 HD22 ASN 19 19.600 5.675 -21.235 159 H GLY 20 H GLY 20 22.000 0.117 -22.344 160 HA2 GLY 20 HA2 GLY 20 23.849 -1.443 -22.615 161 HA3 GLY 20 HA3 GLY 20 24.758 -0.472 -21.466 162 H GLN 21 H GLN 21 22.216 -0.228 -19.822 163 HA GLN 21 HA GLN 21 22.594 -2.745 -18.382 164 HB2 GLN 21 HB2 GLN 21 21.107 -0.290 -17.451 165 HB3 GLN 21 HB3 GLN 21 21.662 -1.637 -16.467 166 HG2 GLN 21 HG2 GLN 21 24.017 -0.949 -17.277 167 HG3 GLN 21 HG3 GLN 21 23.243 0.578 -17.699 168 HE21 GLN 21 HE21 GLN 21 23.343 2.071 -16.198 169 HE22 GLN 21 HE22 GLN 21 23.458 1.806 -14.495 170 H LEU 22 H LEU 22 20.606 -3.629 -17.267 171 HA LEU 22 HA LEU 22 18.507 -3.916 -19.267 172 HB2 LEU 22 HB2 LEU 22 19.192 -5.428 -16.761 173 HB3 LEU 22 HB3 LEU 22 17.713 -5.725 -17.673 174 HG LEU 22 HG LEU 22 20.538 -6.121 -18.660 175 HD11 LEU 22 HD11 LEU 22 20.144 -8.425 -18.513 176 HD12 LEU 22 HD12 LEU 22 18.410 -8.204 -18.281 177 HD13 LEU 22 HD13 LEU 22 19.533 -7.768 -16.995 178 HD21 LEU 22 HD21 LEU 22 19.181 -5.387 -20.493 179 HD22 LEU 22 HD22 LEU 22 17.880 -6.488 -20.036 180 HD23 LEU 22 HD23 LEU 22 19.411 -7.131 -20.636 181 H CYS 23 H CYS 23 16.245 -3.875 -18.645 182 HA CYS 23 HA CYS 23 15.442 -1.533 -17.429 183 HB2 CYS 23 HB2 CYS 23 13.845 -4.098 -17.605 184 HB3 CYS 23 HB3 CYS 23 13.188 -2.479 -17.387 185 H LYS 24 H LYS 24 13.912 -1.433 -15.482 186 HA LYS 24 HA LYS 24 15.221 -2.815 -13.237 187 HB2 LYS 24 HB2 LYS 24 14.258 -0.073 -13.649 188 HB3 LYS 24 HB3 LYS 24 13.767 -0.773 -12.112 189 HG2 LYS 24 HG2 LYS 24 16.607 -0.661 -13.107 190 HG3 LYS 24 HG3 LYS 24 15.881 0.499 -11.993 191 HD2 LYS 24 HD2 LYS 24 15.743 -1.044 -10.271 192 HD3 LYS 24 HD3 LYS 24 15.790 -2.424 -11.370 193 HE2 LYS 24 HE2 LYS 24 18.139 -0.583 -11.102 194 HE3 LYS 24 HE3 LYS 24 17.877 -1.887 -9.945 195 HZ1 LYS 24 HZ1 LYS 24 18.582 -2.035 -12.785 196 HZ2 LYS 24 HZ2 LYS 24 17.646 -3.282 -12.130 197 HZ3 LYS 24 HZ3 LYS 24 19.169 -2.938 -11.480 198 H GLU 25 H GLU 25 13.854 -3.363 -11.382 199 HA GLU 25 HA GLU 25 11.338 -4.508 -12.288 200 HB2 GLU 25 HB2 GLU 25 12.623 -4.815 -9.575 201 HB3 GLU 25 HB3 GLU 25 11.393 -5.841 -10.302 202 HG2 GLU 25 HG2 GLU 25 13.623 -5.787 -12.049 203 HG3 GLU 25 HG3 GLU 25 14.214 -6.093 -10.416 204 HA PRO 26 HA PRO 26 8.691 -1.573 -10.382 205 HB2 PRO 26 HB2 PRO 26 6.607 -3.152 -9.649 206 HB3 PRO 26 HB3 PRO 26 6.939 -2.719 -11.331 207 HG2 PRO 26 HG2 PRO 26 7.613 -5.234 -9.851 208 HG3 PRO 26 HG3 PRO 26 6.973 -5.039 -11.494 209 HD2 PRO 26 HD2 PRO 26 9.590 -5.524 -10.999 210 HD3 PRO 26 HD3 PRO 26 9.044 -4.549 -12.378 211 H GLY 27 H GLY 27 9.273 -0.671 -8.497 212 HA2 GLY 27 HA2 GLY 27 8.660 -0.566 -6.130 213 HA3 GLY 27 HA3 GLY 27 8.954 -2.298 -6.051 214 H ASP 28 H ASP 28 11.392 -2.152 -7.651 215 HA ASP 28 HA ASP 28 13.202 -1.493 -5.502 216 HB2 ASP 28 HB2 ASP 28 13.222 -3.307 -7.637 217 HB3 ASP 28 HB3 ASP 28 14.510 -2.160 -7.997 218 H SER 29 H SER 29 14.978 -0.052 -5.660 219 HA SER 29 HA SER 29 14.357 2.459 -6.750 220 HB2 SER 29 HB2 SER 29 15.885 2.903 -5.159 221 HB3 SER 29 HB3 SER 29 16.550 1.271 -5.236 222 HG SER 29 HG SER 29 17.950 1.893 -6.773 223 H CYS 30 H CYS 30 15.481 3.667 -8.389 224 HA CYS 30 HA CYS 30 16.713 2.000 -10.478 225 HB2 CYS 30 HB2 CYS 30 14.970 4.342 -11.179 226 HB3 CYS 30 HB3 CYS 30 15.428 2.963 -12.176 227 H SER 31 H SER 31 17.684 3.566 -12.231 228 HA SER 31 HA SER 31 19.311 5.526 -10.760 229 HB2 SER 31 HB2 SER 31 19.882 3.693 -13.050 230 HB3 SER 31 HB3 SER 31 20.768 5.215 -12.951 231 HG SER 31 HG SER 31 21.535 3.143 -11.797 232 H LYS 32 H LYS 32 17.263 5.046 -13.547 233 HA LYS 32 HA LYS 32 16.894 7.895 -13.811 234 HB2 LYS 32 HB2 LYS 32 18.350 6.288 -15.886 235 HB3 LYS 32 HB3 LYS 32 17.373 7.670 -16.363 236 HG2 LYS 32 HG2 LYS 32 18.766 8.895 -14.510 237 HG3 LYS 32 HG3 LYS 32 19.907 7.581 -14.807 238 HD2 LYS 32 HD2 LYS 32 19.776 8.158 -17.250 239 HD3 LYS 32 HD3 LYS 32 18.853 9.590 -16.792 240 HE2 LYS 32 HE2 LYS 32 21.670 8.907 -15.960 241 HE3 LYS 32 HE3 LYS 32 21.178 10.179 -17.077 242 HZ1 LYS 32 HZ1 LYS 32 21.567 11.234 -15.037 243 HZ2 LYS 32 HZ2 LYS 32 20.741 10.053 -14.153 244 HZ3 LYS 32 HZ3 LYS 32 19.882 11.120 -15.145 245 H ARG 33 H ARG 33 15.090 8.450 -15.140 246 HA ARG 33 HA ARG 33 12.905 6.755 -14.932 247 HB2 ARG 33 HB2 ARG 33 12.813 9.224 -15.284 248 HB3 ARG 33 HB3 ARG 33 13.254 8.960 -16.967 249 HG2 ARG 33 HG2 ARG 33 11.189 7.490 -17.123 250 HG3 ARG 33 HG3 ARG 33 10.725 8.170 -15.561 251 HD2 ARG 33 HD2 ARG 33 10.769 10.409 -16.495 252 HD3 ARG 33 HD3 ARG 33 11.321 9.774 -18.043 253 HE ARG 33 HE ARG 33 9.157 9.260 -18.543 254 HH11 ARG 33 HH11 ARG 33 9.447 9.620 -15.093 255 HH12 ARG 33 HH12 ARG 33 7.748 9.453 -14.800 256 HH21 ARG 33 HH21 ARG 33 6.918 9.039 -18.171 257 HH22 ARG 33 HH22 ARG 33 6.310 9.121 -16.553 258 H ASP 34 H ASP 34 15.274 7.062 -17.483 259 HA ASP 34 HA ASP 34 13.860 5.628 -19.476 260 HB2 ASP 34 HB2 ASP 34 15.930 5.559 -20.678 261 HB3 ASP 34 HB3 ASP 34 15.848 7.120 -19.867 262 H GLU 35 H GLU 35 15.621 4.662 -16.676 263 HA GLU 35 HA GLU 35 16.350 2.052 -17.454 264 HB2 GLU 35 HB2 GLU 35 15.713 3.103 -14.692 265 HB3 GLU 35 HB3 GLU 35 16.556 1.600 -15.045 266 HG2 GLU 35 HG2 GLU 35 17.533 4.351 -15.782 267 HG3 GLU 35 HG3 GLU 35 18.072 3.415 -14.389 268 H CYS 36 H CYS 36 13.370 3.424 -16.257 269 HA CYS 36 HA CYS 36 12.084 1.014 -15.539 270 HB2 CYS 36 HB2 CYS 36 11.447 3.538 -15.105 271 HB3 CYS 36 HB3 CYS 36 10.530 3.341 -16.595 272 H CYS 37 H CYS 37 11.238 -0.551 -16.742 273 HA CYS 37 HA CYS 37 11.401 -0.438 -19.599 274 HB2 CYS 37 HB2 CYS 37 11.210 -2.461 -17.627 275 HB3 CYS 37 HB3 CYS 37 9.825 -2.658 -18.696 276 H LYS 38 H LYS 38 9.242 -1.715 -20.576 277 HA LYS 38 HA LYS 38 6.963 0.021 -19.891 278 HB2 LYS 38 HB2 LYS 38 7.652 -0.896 -22.684 279 HB3 LYS 38 HB3 LYS 38 6.403 0.250 -22.217 280 HG2 LYS 38 HG2 LYS 38 8.376 1.630 -21.261 281 HG3 LYS 38 HG3 LYS 38 9.364 0.620 -22.320 282 HD2 LYS 38 HD2 LYS 38 7.604 1.287 -24.127 283 HD3 LYS 38 HD3 LYS 38 7.259 2.622 -23.026 284 HE2 LYS 38 HE2 LYS 38 10.063 1.990 -23.888 285 HE3 LYS 38 HE3 LYS 38 9.002 2.984 -24.884 286 HZ1 LYS 38 HZ1 LYS 38 10.317 3.618 -22.386 287 HZ2 LYS 38 HZ2 LYS 38 8.712 4.139 -22.492 288 HZ3 LYS 38 HZ3 LYS 38 9.841 4.639 -23.648 289 H ALA 39 H ALA 39 5.210 -1.072 -19.320 290 HA ALA 39 HA ALA 39 5.013 -3.819 -19.152 291 HB1 ALA 39 HB1 ALA 39 2.492 -2.319 -19.580 292 HB2 ALA 39 HB2 ALA 39 2.919 -3.489 -18.332 293 HB3 ALA 39 HB3 ALA 39 3.512 -1.832 -18.227 294 H ASP 40 H ASP 40 3.622 -5.330 -20.289 295 HA ASP 40 HA ASP 40 4.141 -5.536 -22.991 296 HB2 ASP 40 HB2 ASP 40 2.047 -6.768 -21.228 297 HB3 ASP 40 HB3 ASP 40 2.055 -7.096 -22.958 298 H ASP 41 H ASP 41 1.400 -4.033 -21.375 299 HA ASP 41 HA ASP 41 0.377 -3.169 -23.997 300 HB2 ASP 41 HB2 ASP 41 -1.036 -4.498 -22.170 301 HB3 ASP 41 HB3 ASP 41 -1.269 -2.872 -21.532 302 H GLN 42 H GLN 42 2.488 -1.744 -23.298 303 HA GLN 42 HA GLN 42 2.263 0.372 -21.543 304 HB2 GLN 42 HB2 GLN 42 3.843 1.572 -23.068 305 HB3 GLN 42 HB3 GLN 42 4.349 -0.057 -22.638 306 HG2 GLN 42 HG2 GLN 42 3.741 -0.901 -24.767 307 HG3 GLN 42 HG3 GLN 42 2.914 0.594 -25.195 308 HE21 GLN 42 HE21 GLN 42 4.375 2.571 -25.093 309 HE22 GLN 42 HE22 GLN 42 5.944 2.394 -25.794 310 H LYS 43 H LYS 43 0.779 -0.066 -24.665 311 HA LYS 43 HA LYS 43 0.082 2.559 -25.285 312 HB2 LYS 43 HB2 LYS 43 -1.386 -0.021 -25.842 313 HB3 LYS 43 HB3 LYS 43 -1.817 1.525 -26.559 314 HG2 LYS 43 HG2 LYS 43 0.025 1.569 -27.919 315 HG3 LYS 43 HG3 LYS 43 0.977 0.544 -26.842 316 HD2 LYS 43 HD2 LYS 43 -0.007 -1.405 -27.615 317 HD3 LYS 43 HD3 LYS 43 -1.443 -0.565 -28.204 318 HE2 LYS 43 HE2 LYS 43 1.279 -0.148 -29.408 319 HE3 LYS 43 HE3 LYS 43 0.194 -1.426 -29.953 320 HZ1 LYS 43 HZ1 LYS 43 -1.406 0.736 -29.983 321 HZ2 LYS 43 HZ2 LYS 43 -0.577 0.137 -31.330 322 HZ3 LYS 43 HZ3 LYS 43 0.077 1.415 -30.433 323 H THR 44 H THR 44 -1.294 0.329 -22.985 324 HA THR 44 HA THR 44 -3.434 2.254 -22.374 325 HB THR 44 HB THR 44 -4.316 0.281 -20.955 326 HG1 THR 44 HG1 THR 44 -3.567 -1.737 -21.577 327 HG21 THR 44 HG21 THR 44 -5.776 -0.062 -22.625 328 HG22 THR 44 HG22 THR 44 -4.518 -0.606 -23.734 329 HG23 THR 44 HG23 THR 44 -4.820 1.117 -23.521 330 H TYR 45 H TYR 45 -0.826 0.360 -20.933 331 HA TYR 45 HA TYR 45 -1.208 1.747 -18.383 332 HB2 TYR 45 HB2 TYR 45 0.790 -0.441 -18.923 333 HB3 TYR 45 HB3 TYR 45 0.121 0.067 -17.377 334 HD1 TYR 45 HD1 TYR 45 -2.783 0.175 -18.137 335 HD2 TYR 45 HD2 TYR 45 0.222 -2.724 -18.956 336 HE1 TYR 45 HE1 TYR 45 -4.515 -1.562 -18.314 337 HE2 TYR 45 HE2 TYR 45 -1.501 -4.468 -19.136 338 HH TYR 45 HH TYR 45 -4.247 -4.285 -19.759 339 H SER 46 H SER 46 0.266 3.135 -17.532 340 HA SER 46 HA SER 46 2.423 3.990 -19.326 341 HB2 SER 46 HB2 SER 46 1.980 6.104 -18.683 342 HB3 SER 46 HB3 SER 46 0.502 5.453 -17.977 343 HG SER 46 HG SER 46 1.531 5.307 -16.005 344 H SER 47 H SER 47 4.470 3.557 -18.856 345 HA SER 47 HA SER 47 5.111 2.596 -16.152 346 HB2 SER 47 HB2 SER 47 7.046 1.488 -17.177 347 HB3 SER 47 HB3 SER 47 5.551 0.999 -17.974 348 HG SER 47 HG SER 47 6.088 2.143 -19.729 349 H GLY 48 H GLY 48 6.828 3.434 -15.000 350 HA2 GLY 48 HA2 GLY 48 8.759 5.214 -16.006 351 HA3 GLY 48 HA3 GLY 48 7.426 6.152 -15.350 352 H CYS 49 H CYS 49 10.094 6.175 -14.372 353 HA CYS 49 HA CYS 49 9.677 5.008 -11.698 354 HB2 CYS 49 HB2 CYS 49 11.562 4.035 -13.181 355 HB3 CYS 49 HB3 CYS 49 12.405 5.543 -12.847 356 H ALA 50 H ALA 50 9.080 6.645 -10.427 357 HA ALA 50 HA ALA 50 10.718 9.092 -10.479 358 HB1 ALA 50 HB1 ALA 50 8.536 10.231 -9.680 359 HB2 ALA 50 HB2 ALA 50 8.737 9.869 -11.396 360 HB3 ALA 50 HB3 ALA 50 7.739 8.824 -10.384 361 H GLN 51 H GLN 51 10.823 10.246 -8.441 362 HA GLN 51 HA GLN 51 11.404 8.597 -6.264 363 HB2 GLN 51 HB2 GLN 51 10.725 11.541 -6.176 364 HB3 GLN 51 HB3 GLN 51 11.633 10.642 -4.969 365 HG2 GLN 51 HG2 GLN 51 13.496 10.427 -6.353 366 HG3 GLN 51 HG3 GLN 51 12.576 10.823 -7.803 367 HE21 GLN 51 HE21 GLN 51 14.480 12.012 -5.256 368 HE22 GLN 51 HE22 GLN 51 14.366 13.693 -5.637 369 H THR 52 H THR 52 10.307 7.996 -4.451 370 HA THR 52 HA THR 52 7.624 9.007 -3.966 371 HB THR 52 HB THR 52 6.633 6.742 -3.850 372 HG1 THR 52 HG1 THR 52 8.472 5.469 -3.611 373 HG21 THR 52 HG21 THR 52 7.784 7.073 -6.602 374 HG22 THR 52 HG22 THR 52 6.649 8.255 -5.949 375 HG23 THR 52 HG23 THR 52 6.162 6.570 -6.128 376 H TRP 53 H TRP 53 7.277 9.212 -1.851 377 HA TRP 53 HA TRP 53 9.186 8.747 0.087 378 HB2 TRP 53 HB2 TRP 53 7.366 10.257 0.518 379 HB3 TRP 53 HB3 TRP 53 6.184 8.961 0.358 380 HD1 TRP 53 HD1 TRP 53 5.761 7.421 2.457 381 HE1 TRP 53 HE1 TRP 53 6.485 7.572 4.923 382 HE3 TRP 53 HE3 TRP 53 9.359 11.027 2.029 383 HZ2 TRP 53 HZ2 TRP 53 8.335 9.028 6.479 384 HZ3 TRP 53 HZ3 TRP 53 10.559 11.742 4.053 385 HH2 TRP 53 HH2 TRP 53 10.055 10.763 6.233 386 H SER 54 H SER 54 10.066 6.866 0.638 387 HA SER 54 HA SER 54 8.360 4.474 0.739 388 HB2 SER 54 HB2 SER 54 10.499 4.572 -0.704 389 HB3 SER 54 HB3 SER 54 11.371 4.447 0.824 390 HG SER 54 HG SER 54 10.385 2.482 -0.577 391 H ALA 55 H ALA 55 7.718 3.821 2.671 392 HA ALA 55 HA ALA 55 8.768 4.915 5.085 393 HB1 ALA 55 HB1 ALA 55 6.438 4.350 4.968 394 HB2 ALA 55 HB2 ALA 55 6.820 2.665 4.606 395 HB3 ALA 55 HB3 ALA 55 7.204 3.335 6.192 396 H MET 56 H MET 56 8.930 1.703 3.573 397 HA MET 56 HA MET 56 10.351 0.382 5.567 398 HB2 MET 56 HB2 MET 56 10.183 0.014 2.591 399 HB3 MET 56 HB3 MET 56 11.240 -1.001 3.561 400 HG2 MET 56 HG2 MET 56 8.404 -0.715 4.393 401 HG3 MET 56 HG3 MET 56 8.777 -1.719 2.994 402 HE1 MET 56 HE1 MET 56 8.291 -4.559 5.531 403 HE2 MET 56 HE2 MET 56 7.311 -3.109 5.310 404 HE3 MET 56 HE3 MET 56 7.963 -3.957 3.907 405 H GLU 57 H GLU 57 11.625 2.035 2.676 406 HA GLU 57 HA GLU 57 14.347 1.701 3.457 407 HB2 GLU 57 HB2 GLU 57 13.286 3.741 1.503 408 HB3 GLU 57 HB3 GLU 57 14.896 3.037 1.556 409 HG2 GLU 57 HG2 GLU 57 13.491 0.800 1.226 410 HG3 GLU 57 HG3 GLU 57 12.375 1.938 0.471 411 H GLY 58 H GLY 58 11.930 4.195 3.915 412 HA2 GLY 58 HA2 GLY 58 11.901 5.934 5.435 413 HA3 GLY 58 HA3 GLY 58 13.465 5.388 6.023 414 H GLY 59 H GLY 59 12.801 6.193 2.669 415 HA2 GLY 59 HA2 GLY 59 13.769 8.873 2.818 416 HA3 GLY 59 HA3 GLY 59 15.032 7.770 2.289 417 H PHE 60 H PHE 60 13.585 9.981 0.897 418 HA PHE 60 HA PHE 60 11.789 9.028 -1.003 419 HB2 PHE 60 HB2 PHE 60 13.730 11.318 -0.975 420 HB3 PHE 60 HB3 PHE 60 12.794 10.966 -2.425 421 HD1 PHE 60 HD1 PHE 60 12.849 12.730 0.615 422 HD2 PHE 60 HD2 PHE 60 10.219 10.720 -2.064 423 HE1 PHE 60 HE1 PHE 60 10.949 13.990 1.539 424 HE2 PHE 60 HE2 PHE 60 8.316 11.980 -1.143 425 HZ PHE 60 HZ PHE 60 8.679 13.617 0.661 426 H VAL 61 H VAL 61 12.006 7.584 -2.569 427 HA VAL 61 HA VAL 61 14.548 7.374 -4.003 428 HB VAL 61 HB VAL 61 14.302 4.847 -3.955 429 HG11 VAL 61 HG11 VAL 61 15.702 6.558 -2.359 430 HG12 VAL 61 HG12 VAL 61 14.861 5.561 -1.169 431 HG13 VAL 61 HG13 VAL 61 15.899 4.806 -2.380 432 HG21 VAL 61 HG21 VAL 61 12.839 3.794 -2.583 433 HG22 VAL 61 HG22 VAL 61 12.886 5.073 -1.368 434 HG23 VAL 61 HG23 VAL 61 11.913 5.277 -2.824 435 H ARG 62 H ARG 62 14.373 6.642 -6.122 436 HA ARG 62 HA ARG 62 11.723 6.900 -7.269 437 HB2 ARG 62 HB2 ARG 62 14.401 6.478 -8.608 438 HB3 ARG 62 HB3 ARG 62 12.892 6.857 -9.429 439 HG2 ARG 62 HG2 ARG 62 12.895 9.041 -8.725 440 HG3 ARG 62 HG3 ARG 62 13.891 8.695 -7.310 441 HD2 ARG 62 HD2 ARG 62 15.851 8.498 -8.632 442 HD3 ARG 62 HD3 ARG 62 14.920 8.490 -10.128 443 HE ARG 62 HE ARG 62 15.792 10.779 -8.661 444 HH11 ARG 62 HH11 ARG 62 13.286 9.565 -10.751 445 HH12 ARG 62 HH12 ARG 62 12.854 11.129 -11.359 446 HH21 ARG 62 HH21 ARG 62 15.234 12.843 -9.454 447 HH22 ARG 62 HH22 ARG 62 13.963 12.993 -10.620 448 H GLU 63 H GLU 63 10.452 5.170 -7.331 449 HA GLU 63 HA GLU 63 11.673 2.554 -7.925 450 HB2 GLU 63 HB2 GLU 63 9.940 1.495 -6.657 451 HB3 GLU 63 HB3 GLU 63 10.621 2.776 -5.663 452 HG2 GLU 63 HG2 GLU 63 8.718 4.228 -6.378 453 HG3 GLU 63 HG3 GLU 63 8.010 2.811 -7.151 454 H CYS 64 H CYS 64 10.919 1.392 -9.611 455 HA CYS 64 HA CYS 64 9.423 2.667 -11.628 456 HB2 CYS 64 HB2 CYS 64 11.114 0.790 -11.908 457 HB3 CYS 64 HB3 CYS 64 9.844 -0.312 -11.388 458 H TYR 65 H TYR 65 7.309 2.599 -12.187 459 HA TYR 65 HA TYR 65 5.516 0.829 -10.684 460 HB2 TYR 65 HB2 TYR 65 3.918 2.708 -10.385 461 HB3 TYR 65 HB3 TYR 65 5.426 2.945 -9.507 462 HD1 TYR 65 HD1 TYR 65 3.582 3.936 -12.568 463 HD2 TYR 65 HD2 TYR 65 6.763 4.847 -9.894 464 HE1 TYR 65 HE1 TYR 65 3.863 6.123 -13.657 465 HE2 TYR 65 HE2 TYR 65 7.052 7.038 -10.973 466 HH TYR 65 HH TYR 65 5.000 8.559 -12.623 467 H ILE 66 H ILE 66 3.587 0.291 -11.741 468 HA ILE 66 HA ILE 66 3.280 1.241 -14.500 469 HB ILE 66 HB ILE 66 3.285 -1.666 -13.682 470 HG12 ILE 66 HG12 ILE 66 5.049 -0.285 -15.704 471 HG13 ILE 66 HG13 ILE 66 5.511 -0.470 -14.015 472 HG21 ILE 66 HG21 ILE 66 2.389 -0.273 -16.166 473 HG22 ILE 66 HG22 ILE 66 3.058 -1.900 -16.260 474 HG23 ILE 66 HG23 ILE 66 1.623 -1.591 -15.283 475 HD11 ILE 66 HD11 ILE 66 4.951 -2.685 -15.972 476 HD12 ILE 66 HD12 ILE 66 6.525 -2.199 -15.341 477 HD13 ILE 66 HD13 ILE 66 5.324 -2.908 -14.263 478 H CYS 67 H CYS 67 1.315 2.081 -14.634 479 HA CYS 67 HA CYS 67 -0.945 0.582 -13.530 480 HB2 CYS 67 HB2 CYS 67 0.024 3.128 -12.548 481 HB3 CYS 67 HB3 CYS 67 -1.624 3.273 -13.150 482 H ALA 68 H ALA 68 -3.066 1.540 -14.336 483 HA ALA 68 HA ALA 68 -2.810 1.944 -17.204 484 HB1 ALA 68 HB1 ALA 68 -4.593 0.534 -15.639 485 HB2 ALA 68 HB2 ALA 68 -5.521 1.940 -16.160 486 HB3 ALA 68 HB3 ALA 68 -4.768 0.888 -17.358 487 H VAL 69 H VAL 69 -4.052 3.593 -18.322 488 HA VAL 69 HA VAL 69 -3.791 6.156 -17.027 489 HB VAL 69 HB VAL 69 -4.957 5.607 -19.756 490 HG11 VAL 69 HG11 VAL 69 -5.401 7.822 -19.320 491 HG12 VAL 69 HG12 VAL 69 -3.964 8.023 -18.314 492 HG13 VAL 69 HG13 VAL 69 -3.808 7.938 -20.069 493 HG21 VAL 69 HG21 VAL 69 -2.320 6.471 -20.048 494 HG22 VAL 69 HG22 VAL 69 -2.261 5.220 -18.807 495 HG23 VAL 69 HG23 VAL 69 -2.958 4.863 -20.388 496 H GLU 70 H GLU 70 -6.460 4.234 -18.377 497 HA GLU 70 HA GLU 70 -8.408 6.120 -17.319 498 HB2 GLU 70 HB2 GLU 70 -10.072 4.698 -18.453 499 HB3 GLU 70 HB3 GLU 70 -8.806 5.241 -19.546 500 HG2 GLU 70 HG2 GLU 70 -8.681 3.114 -20.178 501 HG3 GLU 70 HG3 GLU 70 -7.810 2.859 -18.667 502 H SER 71 H SER 71 -7.227 2.865 -16.746 503 HA SER 71 HA SER 71 -9.232 2.254 -14.775 504 HB2 SER 71 HB2 SER 71 -6.693 0.706 -14.863 505 HB3 SER 71 HB3 SER 71 -8.358 0.136 -14.760 506 HG SER 71 HG SER 71 -6.963 -0.003 -16.852 507 H SER 72 H SER 72 -9.236 3.261 -12.880 508 HA SER 72 HA SER 72 -6.792 4.293 -11.723 509 HB2 SER 72 HB2 SER 72 -8.723 5.706 -11.538 510 HB3 SER 72 HB3 SER 72 -9.682 4.401 -10.838 511 HG SER 72 HG SER 72 -8.979 5.741 -9.190 512 H MET 73 H MET 73 -9.097 1.708 -11.119 513 HA MET 73 HA MET 73 -8.365 0.925 -8.572 514 HB2 MET 73 HB2 MET 73 -9.371 -0.595 -10.955 515 HB3 MET 73 HB3 MET 73 -8.953 -1.445 -9.473 516 HG2 MET 73 HG2 MET 73 -10.858 0.869 -9.492 517 HG3 MET 73 HG3 MET 73 -11.383 -0.782 -9.811 518 HE1 MET 73 HE1 MET 73 -10.553 1.267 -5.932 519 HE2 MET 73 HE2 MET 73 -10.514 1.886 -7.584 520 HE3 MET 73 HE3 MET 73 -12.047 1.393 -6.861 521 H CYS 74 H CYS 74 -6.768 0.293 -11.639 522 HA CYS 74 HA CYS 74 -4.714 -0.535 -12.155 523 HB2 CYS 74 HB2 CYS 74 -4.157 1.170 -10.274 524 HB3 CYS 74 HB3 CYS 74 -3.900 -0.257 -9.275 Start of MODEL 9 1 H1 SER 1 H SER 1 0.493 1.106 0.403 2 HA SER 1 HA SER 1 1.143 1.325 -2.451 3 HB2 SER 1 HB2 SER 1 3.129 1.163 -0.185 4 HB3 SER 1 HB3 SER 1 3.385 1.776 -1.818 5 HG SER 1 HG SER 1 2.045 3.527 -1.318 6 H ASN 2 H ASN 2 0.058 -0.842 -2.636 7 HA ASN 2 HA ASN 2 1.662 -3.078 -1.674 8 HB2 ASN 2 HB2 ASN 2 -0.841 -3.222 -3.355 9 HB3 ASN 2 HB3 ASN 2 -0.138 -4.492 -2.357 10 HD21 ASN 2 HD21 ASN 2 -2.817 -3.385 -2.303 11 HD22 ASN 2 HD22 ASN 2 -3.058 -2.773 -0.705 12 H ARG 3 H ARG 3 2.004 -4.905 -3.299 13 HA ARG 3 HA ARG 3 3.755 -4.056 -5.296 14 HB2 ARG 3 HB2 ARG 3 3.040 -6.483 -4.172 15 HB3 ARG 3 HB3 ARG 3 2.542 -6.652 -5.850 16 HG2 ARG 3 HG2 ARG 3 4.652 -6.744 -6.603 17 HG3 ARG 3 HG3 ARG 3 5.220 -5.518 -5.467 18 HD2 ARG 3 HD2 ARG 3 4.552 -8.344 -4.670 19 HD3 ARG 3 HD3 ARG 3 6.170 -7.826 -5.140 20 HE ARG 3 HE ARG 3 4.989 -6.258 -3.030 21 HH11 ARG 3 HH11 ARG 3 6.892 -9.065 -3.819 22 HH12 ARG 3 HH12 ARG 3 7.660 -9.142 -2.269 23 HH21 ARG 3 HH21 ARG 3 5.993 -6.349 -0.984 24 HH22 ARG 3 HH22 ARG 3 7.147 -7.596 -0.656 25 H TRP 4 H TRP 4 0.356 -5.020 -5.500 26 HA TRP 4 HA TRP 4 0.027 -5.072 -8.243 27 HB2 TRP 4 HB2 TRP 4 -1.995 -3.969 -6.284 28 HB3 TRP 4 HB3 TRP 4 -2.322 -4.698 -7.853 29 HD1 TRP 4 HD1 TRP 4 -2.871 -5.586 -4.508 30 HE1 TRP 4 HE1 TRP 4 -2.703 -8.117 -4.075 31 HE3 TRP 4 HE3 TRP 4 -0.370 -6.971 -8.747 32 HZ2 TRP 4 HZ2 TRP 4 -1.649 -10.400 -5.359 33 HZ3 TRP 4 HZ3 TRP 4 0.180 -9.348 -9.067 34 HH2 TRP 4 HH2 TRP 4 -0.446 -11.025 -7.407 35 H ASN 5 H ASN 5 0.158 -2.311 -6.071 36 HA ASN 5 HA ASN 5 -0.773 -0.318 -7.776 37 HB2 ASN 5 HB2 ASN 5 1.399 -0.095 -5.680 38 HB3 ASN 5 HB3 ASN 5 0.499 1.250 -6.373 39 HD21 ASN 5 HD21 ASN 5 -1.167 1.935 -5.250 40 HD22 ASN 5 HD22 ASN 5 -2.052 1.022 -4.080 41 H LEU 6 H LEU 6 2.376 -1.851 -7.572 42 HA LEU 6 HA LEU 6 3.504 -0.045 -9.556 43 HB2 LEU 6 HB2 LEU 6 4.714 -2.432 -8.167 44 HB3 LEU 6 HB3 LEU 6 5.573 -1.306 -9.215 45 HG LEU 6 HG LEU 6 6.174 -0.642 -7.069 46 HD11 LEU 6 HD11 LEU 6 5.208 1.175 -8.552 47 HD12 LEU 6 HD12 LEU 6 5.325 1.537 -6.830 48 HD13 LEU 6 HD13 LEU 6 3.769 1.097 -7.534 49 HD21 LEU 6 HD21 LEU 6 3.542 -0.313 -5.857 50 HD22 LEU 6 HD22 LEU 6 5.006 -1.051 -5.207 51 HD23 LEU 6 HD23 LEU 6 3.931 -1.989 -6.246 52 H GLY 7 H GLY 7 1.362 -2.307 -9.906 53 HA2 GLY 7 HA2 GLY 7 0.782 -3.817 -11.538 54 HA3 GLY 7 HA3 GLY 7 1.794 -2.835 -12.587 55 H TYR 8 H TYR 8 2.994 -4.582 -9.793 56 HA TYR 8 HA TYR 8 5.101 -5.779 -11.193 57 HB2 TYR 8 HB2 TYR 8 5.301 -5.530 -8.830 58 HB3 TYR 8 HB3 TYR 8 3.824 -6.443 -8.540 59 HD1 TYR 8 HD1 TYR 8 7.391 -6.648 -9.273 60 HD2 TYR 8 HD2 TYR 8 3.812 -8.884 -8.740 61 HE1 TYR 8 HE1 TYR 8 8.720 -8.705 -9.031 62 HE2 TYR 8 HE2 TYR 8 5.129 -10.946 -8.494 63 HH TYR 8 HH TYR 8 7.298 -11.823 -9.064 64 H GLY 9 H GLY 9 1.954 -7.090 -10.198 65 HA2 GLY 9 HA2 GLY 9 2.332 -9.724 -11.055 66 HA3 GLY 9 HA3 GLY 9 0.775 -8.917 -10.929 67 H ILE 10 H ILE 10 1.206 -6.890 -12.848 68 HA ILE 10 HA ILE 10 0.326 -8.086 -15.172 69 HB ILE 10 HB ILE 10 1.887 -5.505 -14.980 70 HG12 ILE 10 HG12 ILE 10 -1.095 -6.011 -14.841 71 HG13 ILE 10 HG13 ILE 10 -0.070 -5.562 -13.482 72 HG21 ILE 10 HG21 ILE 10 1.678 -6.414 -17.267 73 HG22 ILE 10 HG22 ILE 10 -0.075 -6.416 -17.080 74 HG23 ILE 10 HG23 ILE 10 0.811 -4.892 -17.054 75 HD11 ILE 10 HD11 ILE 10 0.358 -3.413 -14.441 76 HD12 ILE 10 HD12 ILE 10 -0.479 -3.861 -15.928 77 HD13 ILE 10 HD13 ILE 10 -1.383 -3.690 -14.424 78 HA PRO 11 HA PRO 11 3.933 -10.037 -16.829 79 HB2 PRO 11 HB2 PRO 11 2.957 -10.516 -19.317 80 HB3 PRO 11 HB3 PRO 11 2.475 -11.454 -17.899 81 HG2 PRO 11 HG2 PRO 11 1.053 -9.189 -19.243 82 HG3 PRO 11 HG3 PRO 11 0.392 -10.711 -18.621 83 HD2 PRO 11 HD2 PRO 11 0.210 -8.378 -17.258 84 HD3 PRO 11 HD3 PRO 11 0.353 -9.949 -16.445 85 H HIS 12 H HIS 12 5.706 -8.951 -17.390 86 HA HIS 12 HA HIS 12 5.486 -6.872 -19.467 87 HB2 HIS 12 HB2 HIS 12 7.650 -6.959 -17.373 88 HB3 HIS 12 HB3 HIS 12 7.170 -5.606 -18.393 89 HD1 HIS 12 HD1 HIS 12 7.099 -6.331 -15.050 90 HD2 HIS 12 HD2 HIS 12 4.090 -5.239 -17.699 91 HE1 HIS 12 HE1 HIS 12 5.258 -5.383 -13.622 92 H LYS 13 H LYS 13 7.442 -6.553 -20.780 93 HA LYS 13 HA LYS 13 8.773 -9.126 -21.292 94 HB2 LYS 13 HB2 LYS 13 7.877 -6.894 -23.062 95 HB3 LYS 13 HB3 LYS 13 9.273 -7.843 -23.553 96 HG2 LYS 13 HG2 LYS 13 7.992 -9.850 -23.600 97 HG3 LYS 13 HG3 LYS 13 6.610 -9.049 -22.849 98 HD2 LYS 13 HD2 LYS 13 6.170 -7.773 -24.786 99 HD3 LYS 13 HD3 LYS 13 7.738 -8.169 -25.493 100 HE2 LYS 13 HE2 LYS 13 6.780 -10.638 -25.253 101 HE3 LYS 13 HE3 LYS 13 5.245 -9.775 -25.358 102 HZ1 LYS 13 HZ1 LYS 13 7.400 -9.955 -27.362 103 HZ2 LYS 13 HZ2 LYS 13 6.305 -8.667 -27.397 104 HZ3 LYS 13 HZ3 LYS 13 5.747 -10.256 -27.550 105 H GLN 14 H GLN 14 10.750 -9.199 -20.450 106 HA GLN 14 HA GLN 14 12.273 -6.852 -19.865 107 HB2 GLN 14 HB2 GLN 14 12.257 -9.281 -18.775 108 HB3 GLN 14 HB3 GLN 14 13.564 -9.534 -19.923 109 HG2 GLN 14 HG2 GLN 14 14.402 -7.243 -18.882 110 HG3 GLN 14 HG3 GLN 14 13.456 -7.821 -17.513 111 HE21 GLN 14 HE21 GLN 14 16.233 -7.454 -17.468 112 HE22 GLN 14 HE22 GLN 14 16.982 -8.996 -17.258 113 H VAL 15 H VAL 15 13.759 -5.846 -21.065 114 HA VAL 15 HA VAL 15 14.969 -7.242 -23.337 115 HB VAL 15 HB VAL 15 14.646 -5.134 -24.718 116 HG11 VAL 15 HG11 VAL 15 12.554 -7.124 -24.024 117 HG12 VAL 15 HG12 VAL 15 12.101 -5.772 -25.064 118 HG13 VAL 15 HG13 VAL 15 13.404 -6.859 -25.545 119 HG21 VAL 15 HG21 VAL 15 12.703 -3.742 -24.137 120 HG22 VAL 15 HG22 VAL 15 12.552 -4.610 -22.608 121 HG23 VAL 15 HG23 VAL 15 13.984 -3.630 -22.929 122 H LYS 16 H LYS 16 16.789 -5.964 -24.287 123 HA LYS 16 HA LYS 16 18.369 -4.833 -22.123 124 HB2 LYS 16 HB2 LYS 16 19.263 -5.291 -24.966 125 HB3 LYS 16 HB3 LYS 16 20.265 -5.142 -23.528 126 HG2 LYS 16 HG2 LYS 16 18.919 -7.269 -22.770 127 HG3 LYS 16 HG3 LYS 16 18.682 -7.457 -24.509 128 HD2 LYS 16 HD2 LYS 16 20.960 -7.706 -24.917 129 HD3 LYS 16 HD3 LYS 16 21.413 -6.952 -23.386 130 HE2 LYS 16 HE2 LYS 16 21.802 -9.138 -22.862 131 HE3 LYS 16 HE3 LYS 16 20.107 -9.022 -22.390 132 HZ1 LYS 16 HZ1 LYS 16 20.305 -9.681 -25.130 133 HZ2 LYS 16 HZ2 LYS 16 19.583 -10.557 -23.876 134 HZ3 LYS 16 HZ3 LYS 16 21.227 -10.771 -24.222 135 H LEU 17 H LEU 17 19.011 -2.749 -21.967 136 HA LEU 17 HA LEU 17 17.761 -0.844 -23.784 137 HB2 LEU 17 HB2 LEU 17 19.135 -0.561 -21.126 138 HB3 LEU 17 HB3 LEU 17 18.638 0.827 -22.092 139 HG LEU 17 HG LEU 17 16.588 -1.220 -21.405 140 HD11 LEU 17 HD11 LEU 17 17.701 -0.916 -19.284 141 HD12 LEU 17 HD12 LEU 17 16.152 -0.075 -19.267 142 HD13 LEU 17 HD13 LEU 17 17.648 0.837 -19.472 143 HD21 LEU 17 HD21 LEU 17 16.537 1.793 -21.576 144 HD22 LEU 17 HD22 LEU 17 15.143 0.732 -21.369 145 HD23 LEU 17 HD23 LEU 17 16.072 0.685 -22.869 146 HA PRO 18 HA PRO 18 21.401 0.266 -25.970 147 HB2 PRO 18 HB2 PRO 18 21.056 2.939 -26.296 148 HB3 PRO 18 HB3 PRO 18 20.102 1.734 -27.169 149 HG2 PRO 18 HG2 PRO 18 19.387 3.304 -24.723 150 HG3 PRO 18 HG3 PRO 18 18.397 2.938 -26.146 151 HD2 PRO 18 HD2 PRO 18 18.167 1.573 -23.819 152 HD3 PRO 18 HD3 PRO 18 17.888 0.816 -25.401 153 H ASN 19 H ASN 19 20.775 1.539 -22.859 154 HA ASN 19 HA ASN 19 23.167 3.114 -22.632 155 HB2 ASN 19 HB2 ASN 19 21.264 2.088 -20.514 156 HB3 ASN 19 HB3 ASN 19 22.563 3.242 -20.230 157 HD21 ASN 19 HD21 ASN 19 19.341 2.851 -21.038 158 HD22 ASN 19 HD22 ASN 19 19.003 4.465 -21.549 159 H GLY 20 H GLY 20 22.378 -0.205 -22.344 160 HA2 GLY 20 HA2 GLY 20 24.243 -1.771 -22.358 161 HA3 GLY 20 HA3 GLY 20 25.059 -0.714 -21.215 162 H GLN 21 H GLN 21 22.413 -0.357 -19.785 163 HA GLN 21 HA GLN 21 22.667 -2.763 -18.144 164 HB2 GLN 21 HB2 GLN 21 21.104 -0.259 -17.511 165 HB3 GLN 21 HB3 GLN 21 21.601 -1.523 -16.393 166 HG2 GLN 21 HG2 GLN 21 24.005 -0.816 -17.223 167 HG3 GLN 21 HG3 GLN 21 23.172 0.699 -17.573 168 HE21 GLN 21 HE21 GLN 21 24.481 1.694 -15.978 169 HE22 GLN 21 HE22 GLN 21 24.118 1.518 -14.298 170 H LEU 22 H LEU 22 20.595 -3.571 -17.127 171 HA LEU 22 HA LEU 22 18.656 -4.006 -19.260 172 HB2 LEU 22 HB2 LEU 22 19.155 -5.346 -16.617 173 HB3 LEU 22 HB3 LEU 22 17.746 -5.710 -17.610 174 HG LEU 22 HG LEU 22 20.634 -6.157 -18.363 175 HD11 LEU 22 HD11 LEU 22 18.735 -8.389 -18.304 176 HD12 LEU 22 HD12 LEU 22 19.088 -7.680 -16.730 177 HD13 LEU 22 HD13 LEU 22 20.402 -8.295 -17.733 178 HD21 LEU 22 HD21 LEU 22 18.090 -6.663 -19.901 179 HD22 LEU 22 HD22 LEU 22 19.682 -7.276 -20.355 180 HD23 LEU 22 HD23 LEU 22 19.381 -5.538 -20.325 181 H CYS 23 H CYS 23 16.356 -3.932 -18.819 182 HA CYS 23 HA CYS 23 15.459 -1.522 -17.827 183 HB2 CYS 23 HB2 CYS 23 13.879 -4.099 -17.929 184 HB3 CYS 23 HB3 CYS 23 13.212 -2.470 -17.894 185 H LYS 24 H LYS 24 14.041 -1.082 -15.972 186 HA LYS 24 HA LYS 24 15.117 -2.342 -13.561 187 HB2 LYS 24 HB2 LYS 24 13.864 0.297 -14.173 188 HB3 LYS 24 HB3 LYS 24 13.739 -0.329 -12.535 189 HG2 LYS 24 HG2 LYS 24 16.387 -0.175 -13.921 190 HG3 LYS 24 HG3 LYS 24 15.692 1.237 -13.122 191 HD2 LYS 24 HD2 LYS 24 16.054 0.406 -11.055 192 HD3 LYS 24 HD3 LYS 24 15.672 -1.248 -11.541 193 HE2 LYS 24 HE2 LYS 24 17.846 -1.551 -12.477 194 HE3 LYS 24 HE3 LYS 24 18.228 0.160 -12.287 195 HZ1 LYS 24 HZ1 LYS 24 18.321 -0.070 -9.956 196 HZ2 LYS 24 HZ2 LYS 24 19.209 -1.364 -10.581 197 HZ3 LYS 24 HZ3 LYS 24 17.645 -1.621 -9.992 198 H GLU 25 H GLU 25 13.791 -3.136 -11.909 199 HA GLU 25 HA GLU 25 11.224 -4.137 -12.841 200 HB2 GLU 25 HB2 GLU 25 12.480 -4.722 -10.170 201 HB3 GLU 25 HB3 GLU 25 11.322 -5.693 -11.069 202 HG2 GLU 25 HG2 GLU 25 13.444 -5.546 -12.795 203 HG3 GLU 25 HG3 GLU 25 14.227 -5.630 -11.218 204 HA PRO 26 HA PRO 26 8.699 -1.329 -10.603 205 HB2 PRO 26 HB2 PRO 26 6.596 -2.919 -9.961 206 HB3 PRO 26 HB3 PRO 26 6.897 -2.343 -11.604 207 HG2 PRO 26 HG2 PRO 26 7.545 -4.997 -10.379 208 HG3 PRO 26 HG3 PRO 26 6.869 -4.638 -11.979 209 HD2 PRO 26 HD2 PRO 26 9.485 -5.225 -11.603 210 HD3 PRO 26 HD3 PRO 26 8.928 -4.117 -12.872 211 H GLY 27 H GLY 27 9.177 -0.579 -8.637 212 HA2 GLY 27 HA2 GLY 27 8.656 -0.713 -6.265 213 HA3 GLY 27 HA3 GLY 27 8.971 -2.440 -6.356 214 H ASP 28 H ASP 28 11.375 -2.111 -7.984 215 HA ASP 28 HA ASP 28 13.220 -1.622 -5.816 216 HB2 ASP 28 HB2 ASP 28 13.214 -3.220 -8.141 217 HB3 ASP 28 HB3 ASP 28 14.530 -2.065 -8.339 218 H SER 29 H SER 29 14.985 -0.159 -5.895 219 HA SER 29 HA SER 29 14.306 2.419 -6.824 220 HB2 SER 29 HB2 SER 29 16.443 3.122 -5.957 221 HB3 SER 29 HB3 SER 29 15.777 1.920 -4.850 222 HG SER 29 HG SER 29 17.948 1.466 -5.271 223 H CYS 30 H CYS 30 15.277 3.709 -8.428 224 HA CYS 30 HA CYS 30 16.724 2.219 -10.518 225 HB2 CYS 30 HB2 CYS 30 14.851 4.468 -11.186 226 HB3 CYS 30 HB3 CYS 30 15.434 3.167 -12.220 227 H SER 31 H SER 31 17.645 3.914 -12.177 228 HA SER 31 HA SER 31 19.112 5.896 -10.575 229 HB2 SER 31 HB2 SER 31 20.017 3.926 -12.357 230 HB3 SER 31 HB3 SER 31 20.210 5.454 -13.218 231 HG SER 31 HG SER 31 21.347 6.229 -11.362 232 H LYS 32 H LYS 32 17.157 5.451 -13.439 233 HA LYS 32 HA LYS 32 16.598 8.279 -13.537 234 HB2 LYS 32 HB2 LYS 32 18.186 6.899 -15.680 235 HB3 LYS 32 HB3 LYS 32 17.140 8.255 -16.080 236 HG2 LYS 32 HG2 LYS 32 18.375 9.590 -14.352 237 HG3 LYS 32 HG3 LYS 32 19.513 8.247 -14.234 238 HD2 LYS 32 HD2 LYS 32 19.866 8.468 -16.716 239 HD3 LYS 32 HD3 LYS 32 18.921 9.957 -16.643 240 HE2 LYS 32 HE2 LYS 32 21.256 10.515 -16.548 241 HE3 LYS 32 HE3 LYS 32 20.531 10.836 -14.973 242 HZ1 LYS 32 HZ1 LYS 32 21.408 8.706 -14.199 243 HZ2 LYS 32 HZ2 LYS 32 22.646 9.734 -14.719 244 HZ3 LYS 32 HZ3 LYS 32 22.145 8.451 -15.700 245 H ARG 33 H ARG 33 14.766 8.791 -14.819 246 HA ARG 33 HA ARG 33 12.708 6.938 -14.782 247 HB2 ARG 33 HB2 ARG 33 12.575 9.480 -15.026 248 HB3 ARG 33 HB3 ARG 33 12.831 9.219 -16.746 249 HG2 ARG 33 HG2 ARG 33 10.816 7.655 -16.627 250 HG3 ARG 33 HG3 ARG 33 10.502 8.390 -15.055 251 HD2 ARG 33 HD2 ARG 33 10.651 9.784 -17.723 252 HD3 ARG 33 HD3 ARG 33 9.216 9.543 -16.728 253 HE ARG 33 HE ARG 33 11.158 11.609 -16.457 254 HH11 ARG 33 HH11 ARG 33 8.960 9.589 -14.665 255 HH12 ARG 33 HH12 ARG 33 8.777 10.718 -13.365 256 HH21 ARG 33 HH21 ARG 33 10.924 13.104 -14.750 257 HH22 ARG 33 HH22 ARG 33 9.894 12.717 -13.413 258 H ASP 34 H ASP 34 15.066 7.613 -17.279 259 HA ASP 34 HA ASP 34 13.800 6.253 -19.402 260 HB2 ASP 34 HB2 ASP 34 16.787 6.459 -19.061 261 HB3 ASP 34 HB3 ASP 34 15.859 6.425 -20.558 262 H GLU 35 H GLU 35 15.571 5.149 -16.645 263 HA GLU 35 HA GLU 35 16.382 2.624 -17.608 264 HB2 GLU 35 HB2 GLU 35 15.722 3.464 -14.779 265 HB3 GLU 35 HB3 GLU 35 16.599 2.010 -15.233 266 HG2 GLU 35 HG2 GLU 35 17.512 4.826 -15.776 267 HG3 GLU 35 HG3 GLU 35 18.080 3.801 -14.458 268 H CYS 36 H CYS 36 13.366 3.814 -16.309 269 HA CYS 36 HA CYS 36 12.180 1.266 -15.848 270 HB2 CYS 36 HB2 CYS 36 11.526 3.797 -15.130 271 HB3 CYS 36 HB3 CYS 36 10.402 3.548 -16.463 272 H CYS 37 H CYS 37 11.456 -0.138 -17.293 273 HA CYS 37 HA CYS 37 11.286 0.591 -20.083 274 HB2 CYS 37 HB2 CYS 37 11.417 -1.894 -18.520 275 HB3 CYS 37 HB3 CYS 37 10.369 -1.991 -19.933 276 H LYS 38 H LYS 38 9.322 -0.655 -21.238 277 HA LYS 38 HA LYS 38 6.898 0.483 -20.022 278 HB2 LYS 38 HB2 LYS 38 7.401 -0.260 -22.910 279 HB3 LYS 38 HB3 LYS 38 5.968 0.540 -22.279 280 HG2 LYS 38 HG2 LYS 38 8.537 1.871 -21.716 281 HG3 LYS 38 HG3 LYS 38 8.032 1.833 -23.408 282 HD2 LYS 38 HD2 LYS 38 5.968 2.581 -21.424 283 HD3 LYS 38 HD3 LYS 38 7.268 3.745 -21.688 284 HE2 LYS 38 HE2 LYS 38 6.737 3.996 -23.951 285 HE3 LYS 38 HE3 LYS 38 5.784 2.513 -23.985 286 HZ1 LYS 38 HZ1 LYS 38 4.417 3.894 -22.194 287 HZ2 LYS 38 HZ2 LYS 38 4.100 3.988 -23.851 288 HZ3 LYS 38 HZ3 LYS 38 5.032 5.182 -23.101 289 H ALA 39 H ALA 39 5.106 -0.743 -19.671 290 HA ALA 39 HA ALA 39 5.413 -3.538 -19.388 291 HB1 ALA 39 HB1 ALA 39 3.900 -2.103 -18.020 292 HB2 ALA 39 HB2 ALA 39 2.821 -2.007 -19.411 293 HB3 ALA 39 HB3 ALA 39 3.141 -3.565 -18.649 294 H ASP 40 H ASP 40 3.904 -5.154 -20.355 295 HA ASP 40 HA ASP 40 4.237 -5.374 -23.086 296 HB2 ASP 40 HB2 ASP 40 2.293 -6.654 -21.183 297 HB3 ASP 40 HB3 ASP 40 2.248 -7.025 -22.904 298 H ASP 41 H ASP 41 1.447 -4.121 -21.302 299 HA ASP 41 HA ASP 41 0.281 -3.228 -23.851 300 HB2 ASP 41 HB2 ASP 41 -0.962 -4.700 -22.009 301 HB3 ASP 41 HB3 ASP 41 -1.282 -3.112 -21.318 302 H GLN 42 H GLN 42 2.328 -1.689 -23.165 303 HA GLN 42 HA GLN 42 2.017 0.361 -21.346 304 HB2 GLN 42 HB2 GLN 42 3.531 1.671 -22.762 305 HB3 GLN 42 HB3 GLN 42 4.077 0.005 -22.611 306 HG2 GLN 42 HG2 GLN 42 2.799 -0.355 -24.833 307 HG3 GLN 42 HG3 GLN 42 2.902 1.400 -24.973 308 HE21 GLN 42 HE21 GLN 42 4.472 1.930 -26.301 309 HE22 GLN 42 HE22 GLN 42 6.038 1.206 -26.372 310 H LYS 43 H LYS 43 0.462 -0.093 -24.429 311 HA LYS 43 HA LYS 43 -0.417 2.487 -24.973 312 HB2 LYS 43 HB2 LYS 43 -1.917 -0.092 -25.472 313 HB3 LYS 43 HB3 LYS 43 -2.195 1.443 -26.286 314 HG2 LYS 43 HG2 LYS 43 -0.388 1.219 -27.631 315 HG3 LYS 43 HG3 LYS 43 0.545 0.343 -26.417 316 HD2 LYS 43 HD2 LYS 43 0.105 -1.492 -27.615 317 HD3 LYS 43 HD3 LYS 43 -1.538 -1.376 -26.979 318 HE2 LYS 43 HE2 LYS 43 -0.672 0.069 -29.468 319 HE3 LYS 43 HE3 LYS 43 -1.276 -1.587 -29.505 320 HZ1 LYS 43 HZ1 LYS 43 -3.144 -0.288 -29.896 321 HZ2 LYS 43 HZ2 LYS 43 -2.713 0.879 -28.750 322 HZ3 LYS 43 HZ3 LYS 43 -3.265 -0.639 -28.245 323 H THR 44 H THR 44 -1.562 0.158 -22.645 324 HA THR 44 HA THR 44 -3.752 1.979 -21.898 325 HB THR 44 HB THR 44 -4.500 -0.093 -20.519 326 HG1 THR 44 HG1 THR 44 -3.773 -2.058 -21.385 327 HG21 THR 44 HG21 THR 44 -5.376 -1.117 -22.811 328 HG22 THR 44 HG22 THR 44 -4.754 0.410 -23.437 329 HG23 THR 44 HG23 THR 44 -5.988 0.412 -22.178 330 H TYR 45 H TYR 45 -1.011 0.141 -20.658 331 HA TYR 45 HA TYR 45 -1.355 1.355 -18.017 332 HB2 TYR 45 HB2 TYR 45 0.745 -0.663 -18.789 333 HB3 TYR 45 HB3 TYR 45 0.138 -0.285 -17.181 334 HD1 TYR 45 HD1 TYR 45 -2.816 -0.302 -17.838 335 HD2 TYR 45 HD2 TYR 45 0.323 -2.987 -18.857 336 HE1 TYR 45 HE1 TYR 45 -4.449 -2.131 -18.021 337 HE2 TYR 45 HE2 TYR 45 -1.302 -4.824 -19.045 338 HH TYR 45 HH TYR 45 -4.362 -4.537 -19.476 339 H SER 46 H SER 46 0.094 2.754 -17.123 340 HA SER 46 HA SER 46 2.081 3.885 -18.963 341 HB2 SER 46 HB2 SER 46 0.848 5.697 -18.279 342 HB3 SER 46 HB3 SER 46 0.454 4.977 -16.718 343 HG SER 46 HG SER 46 2.308 6.764 -17.227 344 H SER 47 H SER 47 4.176 3.559 -18.641 345 HA SER 47 HA SER 47 5.037 2.447 -16.058 346 HB2 SER 47 HB2 SER 47 6.786 1.327 -17.184 347 HB3 SER 47 HB3 SER 47 5.392 1.150 -18.248 348 HG SER 47 HG SER 47 6.358 3.260 -19.160 349 H GLY 48 H GLY 48 6.789 3.297 -14.963 350 HA2 GLY 48 HA2 GLY 48 8.579 5.218 -15.919 351 HA3 GLY 48 HA3 GLY 48 7.221 6.077 -15.209 352 H CYS 49 H CYS 49 9.901 6.189 -14.276 353 HA CYS 49 HA CYS 49 9.558 4.966 -11.617 354 HB2 CYS 49 HB2 CYS 49 11.405 3.993 -13.148 355 HB3 CYS 49 HB3 CYS 49 12.264 5.494 -12.817 356 H ALA 50 H ALA 50 8.991 6.600 -10.327 357 HA ALA 50 HA ALA 50 10.650 9.034 -10.388 358 HB1 ALA 50 HB1 ALA 50 8.546 10.246 -9.619 359 HB2 ALA 50 HB2 ALA 50 8.616 9.755 -11.311 360 HB3 ALA 50 HB3 ALA 50 7.664 8.817 -10.160 361 H GLN 51 H GLN 51 10.851 10.146 -8.355 362 HA GLN 51 HA GLN 51 11.395 8.468 -6.192 363 HB2 GLN 51 HB2 GLN 51 10.846 11.437 -6.081 364 HB3 GLN 51 HB3 GLN 51 11.743 10.492 -4.899 365 HG2 GLN 51 HG2 GLN 51 13.504 10.085 -6.469 366 HG3 GLN 51 HG3 GLN 51 12.580 10.843 -7.765 367 HE21 GLN 51 HE21 GLN 51 15.215 11.384 -6.287 368 HE22 GLN 51 HE22 GLN 51 15.143 13.078 -5.953 369 H THR 52 H THR 52 10.304 7.916 -4.356 370 HA THR 52 HA THR 52 7.675 9.041 -3.831 371 HB THR 52 HB THR 52 6.613 6.794 -3.675 372 HG1 THR 52 HG1 THR 52 8.430 5.471 -3.543 373 HG21 THR 52 HG21 THR 52 6.154 6.570 -6.008 374 HG22 THR 52 HG22 THR 52 7.688 7.320 -6.444 375 HG23 THR 52 HG23 THR 52 6.416 8.285 -5.694 376 H TRP 53 H TRP 53 7.326 9.219 -1.708 377 HA TRP 53 HA TRP 53 9.248 8.719 0.207 378 HB2 TRP 53 HB2 TRP 53 7.454 10.247 0.671 379 HB3 TRP 53 HB3 TRP 53 6.251 8.971 0.505 380 HD1 TRP 53 HD1 TRP 53 5.909 7.325 2.568 381 HE1 TRP 53 HE1 TRP 53 6.615 7.473 5.039 382 HE3 TRP 53 HE3 TRP 53 9.342 11.097 2.207 383 HZ2 TRP 53 HZ2 TRP 53 8.391 8.990 6.625 384 HZ3 TRP 53 HZ3 TRP 53 10.499 11.837 4.248 385 HH2 TRP 53 HH2 TRP 53 10.032 10.805 6.411 386 H SER 54 H SER 54 10.112 6.823 0.733 387 HA SER 54 HA SER 54 8.382 4.449 0.827 388 HB2 SER 54 HB2 SER 54 10.248 4.132 -0.652 389 HB3 SER 54 HB3 SER 54 11.381 4.733 0.559 390 HG SER 54 HG SER 54 10.013 2.278 0.462 391 H ALA 55 H ALA 55 7.851 3.597 2.723 392 HA ALA 55 HA ALA 55 8.876 4.724 5.161 393 HB1 ALA 55 HB1 ALA 55 7.241 2.324 5.435 394 HB2 ALA 55 HB2 ALA 55 6.997 3.945 6.088 395 HB3 ALA 55 HB3 ALA 55 6.495 3.575 4.439 396 H MET 56 H MET 56 9.128 1.630 3.472 397 HA MET 56 HA MET 56 10.544 0.264 5.501 398 HB2 MET 56 HB2 MET 56 10.296 -0.166 2.530 399 HB3 MET 56 HB3 MET 56 11.268 -1.222 3.547 400 HG2 MET 56 HG2 MET 56 9.139 -1.497 4.950 401 HG3 MET 56 HG3 MET 56 8.305 -0.815 3.556 402 HE1 MET 56 HE1 MET 56 9.536 -3.903 5.260 403 HE2 MET 56 HE2 MET 56 7.816 -3.768 4.896 404 HE3 MET 56 HE3 MET 56 8.769 -5.069 4.181 405 H GLU 57 H GLU 57 11.642 1.984 2.590 406 HA GLU 57 HA GLU 57 14.413 1.560 3.155 407 HB2 GLU 57 HB2 GLU 57 13.198 3.627 1.317 408 HB3 GLU 57 HB3 GLU 57 14.842 3.006 1.274 409 HG2 GLU 57 HG2 GLU 57 12.387 1.339 0.782 410 HG3 GLU 57 HG3 GLU 57 13.357 2.087 -0.485 411 H GLY 58 H GLY 58 12.076 4.079 3.843 412 HA2 GLY 58 HA2 GLY 58 12.180 5.787 5.391 413 HA3 GLY 58 HA3 GLY 58 13.758 5.188 5.878 414 H GLY 59 H GLY 59 12.915 6.107 2.590 415 HA2 GLY 59 HA2 GLY 59 13.929 8.754 2.725 416 HA3 GLY 59 HA3 GLY 59 15.178 7.655 2.160 417 H PHE 60 H PHE 60 13.700 9.876 0.819 418 HA PHE 60 HA PHE 60 11.862 8.937 -1.047 419 HB2 PHE 60 HB2 PHE 60 13.806 11.225 -1.053 420 HB3 PHE 60 HB3 PHE 60 12.830 10.885 -2.478 421 HD1 PHE 60 HD1 PHE 60 12.956 12.546 0.642 422 HD2 PHE 60 HD2 PHE 60 10.280 10.724 -2.120 423 HE1 PHE 60 HE1 PHE 60 11.086 13.805 1.628 424 HE2 PHE 60 HE2 PHE 60 8.406 11.981 -1.139 425 HZ PHE 60 HZ PHE 60 8.807 13.523 0.738 426 H VAL 61 H VAL 61 12.050 7.472 -2.596 427 HA VAL 61 HA VAL 61 14.560 7.275 -4.094 428 HB VAL 61 HB VAL 61 14.388 4.780 -4.051 429 HG11 VAL 61 HG11 VAL 61 16.104 5.402 -2.703 430 HG12 VAL 61 HG12 VAL 61 15.097 6.479 -1.732 431 HG13 VAL 61 HG13 VAL 61 15.041 4.736 -1.463 432 HG21 VAL 61 HG21 VAL 61 12.877 4.752 -1.549 433 HG22 VAL 61 HG22 VAL 61 11.918 5.212 -2.956 434 HG23 VAL 61 HG23 VAL 61 12.784 3.676 -2.943 435 H ARG 62 H ARG 62 14.343 6.548 -6.213 436 HA ARG 62 HA ARG 62 11.686 6.859 -7.321 437 HB2 ARG 62 HB2 ARG 62 14.293 6.310 -8.750 438 HB3 ARG 62 HB3 ARG 62 12.788 6.852 -9.483 439 HG2 ARG 62 HG2 ARG 62 12.964 8.989 -8.516 440 HG3 ARG 62 HG3 ARG 62 14.223 8.462 -7.397 441 HD2 ARG 62 HD2 ARG 62 15.445 9.598 -8.992 442 HD3 ARG 62 HD3 ARG 62 15.558 7.931 -9.560 443 HE ARG 62 HE ARG 62 13.361 8.965 -10.827 444 HH11 ARG 62 HH11 ARG 62 16.733 9.804 -10.610 445 HH12 ARG 62 HH12 ARG 62 16.793 10.511 -12.191 446 HH21 ARG 62 HH21 ARG 62 13.427 9.892 -12.910 447 HH22 ARG 62 HH22 ARG 62 14.911 10.560 -13.498 448 H GLU 63 H GLU 63 10.370 5.159 -7.350 449 HA GLU 63 HA GLU 63 11.514 2.513 -7.962 450 HB2 GLU 63 HB2 GLU 63 9.636 1.536 -6.725 451 HB3 GLU 63 HB3 GLU 63 10.579 2.617 -5.707 452 HG2 GLU 63 HG2 GLU 63 8.886 4.389 -6.134 453 HG3 GLU 63 HG3 GLU 63 7.915 3.186 -6.980 454 H CYS 64 H CYS 64 10.707 1.376 -9.637 455 HA CYS 64 HA CYS 64 9.184 2.687 -11.614 456 HB2 CYS 64 HB2 CYS 64 10.318 -0.028 -11.235 457 HB3 CYS 64 HB3 CYS 64 8.988 0.112 -12.381 458 H TYR 65 H TYR 65 7.061 2.536 -12.211 459 HA TYR 65 HA TYR 65 5.289 0.832 -10.615 460 HB2 TYR 65 HB2 TYR 65 3.678 2.755 -10.438 461 HB3 TYR 65 HB3 TYR 65 5.146 2.940 -9.486 462 HD1 TYR 65 HD1 TYR 65 3.523 3.968 -12.662 463 HD2 TYR 65 HD2 TYR 65 6.544 4.806 -9.787 464 HE1 TYR 65 HE1 TYR 65 3.940 6.138 -13.741 465 HE2 TYR 65 HE2 TYR 65 6.969 6.979 -10.856 466 HH TYR 65 HH TYR 65 5.146 8.573 -12.570 467 H ILE 66 H ILE 66 3.418 0.168 -11.655 468 HA ILE 66 HA ILE 66 3.011 1.074 -14.415 469 HB ILE 66 HB ILE 66 3.214 -1.817 -13.568 470 HG12 ILE 66 HG12 ILE 66 4.790 -0.439 -15.730 471 HG13 ILE 66 HG13 ILE 66 5.323 -0.402 -14.052 472 HG21 ILE 66 HG21 ILE 66 1.413 -1.690 -15.099 473 HG22 ILE 66 HG22 ILE 66 2.286 -0.567 -16.141 474 HG23 ILE 66 HG23 ILE 66 2.809 -2.247 -16.020 475 HD11 ILE 66 HD11 ILE 66 5.158 -2.946 -14.134 476 HD12 ILE 66 HD12 ILE 66 5.071 -2.752 -15.885 477 HD13 ILE 66 HD13 ILE 66 6.486 -2.178 -15.004 478 H CYS 67 H CYS 67 1.026 1.904 -14.374 479 HA CYS 67 HA CYS 67 -1.147 0.249 -13.309 480 HB2 CYS 67 HB2 CYS 67 -0.257 2.384 -11.887 481 HB3 CYS 67 HB3 CYS 67 -1.466 3.159 -12.906 482 H ALA 68 H ALA 68 -3.303 0.995 -14.089 483 HA ALA 68 HA ALA 68 -3.191 1.445 -16.918 484 HB1 ALA 68 HB1 ALA 68 -5.033 0.216 -16.748 485 HB2 ALA 68 HB2 ALA 68 -5.128 0.493 -15.008 486 HB3 ALA 68 HB3 ALA 68 -5.854 1.648 -16.126 487 H VAL 69 H VAL 69 -3.634 3.260 -18.050 488 HA VAL 69 HA VAL 69 -3.599 5.769 -16.680 489 HB VAL 69 HB VAL 69 -4.170 5.321 -19.609 490 HG11 VAL 69 HG11 VAL 69 -4.626 7.569 -18.895 491 HG12 VAL 69 HG12 VAL 69 -3.074 7.664 -18.060 492 HG13 VAL 69 HG13 VAL 69 -3.125 7.564 -19.821 493 HG21 VAL 69 HG21 VAL 69 -1.525 5.997 -19.446 494 HG22 VAL 69 HG22 VAL 69 -1.718 4.913 -18.069 495 HG23 VAL 69 HG23 VAL 69 -2.146 4.364 -19.689 496 H GLU 70 H GLU 70 -6.022 4.039 -18.623 497 HA GLU 70 HA GLU 70 -8.030 6.042 -18.235 498 HB2 GLU 70 HB2 GLU 70 -9.550 4.343 -19.250 499 HB3 GLU 70 HB3 GLU 70 -8.133 4.707 -20.226 500 HG2 GLU 70 HG2 GLU 70 -7.072 2.666 -19.549 501 HG3 GLU 70 HG3 GLU 70 -8.371 2.324 -18.407 502 H SER 71 H SER 71 -7.169 3.007 -16.696 503 HA SER 71 HA SER 71 -9.515 3.070 -14.980 504 HB2 SER 71 HB2 SER 71 -8.293 0.966 -15.980 505 HB3 SER 71 HB3 SER 71 -7.239 1.162 -14.579 506 HG SER 71 HG SER 71 -9.002 0.908 -13.239 507 H SER 72 H SER 72 -8.638 5.285 -14.265 508 HA SER 72 HA SER 72 -6.402 5.567 -12.634 509 HB2 SER 72 HB2 SER 72 -7.430 7.573 -13.291 510 HB3 SER 72 HB3 SER 72 -9.027 7.032 -12.776 511 HG SER 72 HG SER 72 -8.462 7.359 -10.673 512 H MET 73 H MET 73 -9.545 4.228 -11.948 513 HA MET 73 HA MET 73 -9.694 4.359 -9.207 514 HB2 MET 73 HB2 MET 73 -10.427 1.986 -10.933 515 HB3 MET 73 HB3 MET 73 -11.016 2.291 -9.305 516 HG2 MET 73 HG2 MET 73 -11.475 4.177 -11.598 517 HG3 MET 73 HG3 MET 73 -12.586 2.876 -11.174 518 HE1 MET 73 HE1 MET 73 -14.444 5.334 -10.914 519 HE2 MET 73 HE2 MET 73 -14.567 3.627 -10.493 520 HE3 MET 73 HE3 MET 73 -14.973 4.860 -9.299 521 H CYS 74 H CYS 74 -7.659 2.306 -11.186 522 HA CYS 74 HA CYS 74 -6.863 0.372 -9.394 523 HB2 CYS 74 HB2 CYS 74 -4.936 0.057 -10.736 524 HB3 CYS 74 HB3 CYS 74 -6.186 0.634 -11.833 Start of MODEL 10 1 H1 SER 1 H SER 1 1.077 1.326 -1.662 2 HA SER 1 HA SER 1 3.365 0.292 -0.289 3 HB2 SER 1 HB2 SER 1 0.407 0.047 0.303 4 HB3 SER 1 HB3 SER 1 1.691 -0.487 1.388 5 HG SER 1 HG SER 1 2.158 1.539 1.863 6 H ASN 2 H ASN 2 0.677 -1.105 -2.096 7 HA ASN 2 HA ASN 2 1.680 -3.803 -1.629 8 HB2 ASN 2 HB2 ASN 2 -0.702 -2.998 -3.303 9 HB3 ASN 2 HB3 ASN 2 -0.354 -4.583 -2.617 10 HD21 ASN 2 HD21 ASN 2 -2.746 -3.096 -2.281 11 HD22 ASN 2 HD22 ASN 2 -2.910 -2.745 -0.597 12 H ARG 3 H ARG 3 1.766 -5.284 -3.566 13 HA ARG 3 HA ARG 3 3.623 -4.231 -5.448 14 HB2 ARG 3 HB2 ARG 3 2.184 -6.872 -5.670 15 HB3 ARG 3 HB3 ARG 3 3.759 -6.441 -6.323 16 HG2 ARG 3 HG2 ARG 3 4.637 -6.263 -4.031 17 HG3 ARG 3 HG3 ARG 3 3.062 -6.765 -3.412 18 HD2 ARG 3 HD2 ARG 3 4.090 -8.794 -3.449 19 HD3 ARG 3 HD3 ARG 3 3.464 -8.773 -5.097 20 HE ARG 3 HE ARG 3 5.615 -8.701 -5.863 21 HH11 ARG 3 HH11 ARG 3 5.584 -7.773 -2.509 22 HH12 ARG 3 HH12 ARG 3 7.310 -7.728 -2.371 23 HH21 ARG 3 HH21 ARG 3 7.888 -8.646 -5.694 24 HH22 ARG 3 HH22 ARG 3 8.619 -8.224 -4.183 25 H TRP 4 H TRP 4 0.210 -5.111 -5.578 26 HA TRP 4 HA TRP 4 -0.250 -5.008 -8.298 27 HB2 TRP 4 HB2 TRP 4 -2.126 -3.924 -6.190 28 HB3 TRP 4 HB3 TRP 4 -2.560 -4.548 -7.777 29 HD1 TRP 4 HD1 TRP 4 -2.581 -5.586 -4.312 30 HE1 TRP 4 HE1 TRP 4 -2.668 -8.148 -4.085 31 HE3 TRP 4 HE3 TRP 4 -1.327 -6.870 -9.099 32 HZ2 TRP 4 HZ2 TRP 4 -2.259 -10.413 -5.718 33 HZ3 TRP 4 HZ3 TRP 4 -1.195 -9.255 -9.685 34 HH2 TRP 4 HH2 TRP 4 -1.652 -10.990 -8.027 35 H ASN 5 H ASN 5 0.102 -2.362 -6.010 36 HA ASN 5 HA ASN 5 -0.814 -0.258 -7.596 37 HB2 ASN 5 HB2 ASN 5 1.332 -0.310 -5.466 38 HB3 ASN 5 HB3 ASN 5 0.698 1.169 -6.180 39 HD21 ASN 5 HD21 ASN 5 0.471 1.050 -3.584 40 HD22 ASN 5 HD22 ASN 5 -1.142 0.688 -3.081 41 H LEU 6 H LEU 6 2.287 -1.904 -7.531 42 HA LEU 6 HA LEU 6 3.423 -0.056 -9.472 43 HB2 LEU 6 HB2 LEU 6 4.588 -2.523 -8.190 44 HB3 LEU 6 HB3 LEU 6 5.460 -1.400 -9.231 45 HG LEU 6 HG LEU 6 6.138 -0.819 -7.083 46 HD11 LEU 6 HD11 LEU 6 5.120 1.052 -8.532 47 HD12 LEU 6 HD12 LEU 6 5.458 1.386 -6.834 48 HD13 LEU 6 HD13 LEU 6 3.809 1.042 -7.353 49 HD21 LEU 6 HD21 LEU 6 3.331 -0.700 -6.043 50 HD22 LEU 6 HD22 LEU 6 4.846 -0.828 -5.149 51 HD23 LEU 6 HD23 LEU 6 4.234 -2.216 -6.053 52 H GLY 7 H GLY 7 1.208 -2.240 -9.856 53 HA2 GLY 7 HA2 GLY 7 0.541 -3.660 -11.534 54 HA3 GLY 7 HA3 GLY 7 1.577 -2.682 -12.564 55 H TYR 8 H TYR 8 2.719 -4.594 -9.848 56 HA TYR 8 HA TYR 8 4.753 -5.826 -11.345 57 HB2 TYR 8 HB2 TYR 8 5.020 -5.610 -8.974 58 HB3 TYR 8 HB3 TYR 8 3.542 -6.518 -8.665 59 HD1 TYR 8 HD1 TYR 8 6.553 -7.163 -10.791 60 HD2 TYR 8 HD2 TYR 8 4.035 -8.524 -7.643 61 HE1 TYR 8 HE1 TYR 8 7.865 -9.237 -10.647 62 HE2 TYR 8 HE2 TYR 8 5.340 -10.603 -7.490 63 HH TYR 8 HH TYR 8 6.907 -11.872 -8.503 64 H GLY 9 H GLY 9 1.611 -7.052 -10.223 65 HA2 GLY 9 HA2 GLY 9 1.805 -9.675 -11.089 66 HA3 GLY 9 HA3 GLY 9 0.303 -8.769 -11.005 67 H ILE 10 H ILE 10 0.980 -6.797 -12.955 68 HA ILE 10 HA ILE 10 0.073 -8.028 -15.284 69 HB ILE 10 HB ILE 10 1.640 -5.454 -15.079 70 HG12 ILE 10 HG12 ILE 10 -1.351 -5.903 -15.059 71 HG13 ILE 10 HG13 ILE 10 -0.383 -5.538 -13.635 72 HG21 ILE 10 HG21 ILE 10 1.489 -6.389 -17.359 73 HG22 ILE 10 HG22 ILE 10 -0.268 -6.381 -17.220 74 HG23 ILE 10 HG23 ILE 10 0.624 -4.861 -17.186 75 HD11 ILE 10 HD11 ILE 10 -1.526 -3.761 -15.564 76 HD12 ILE 10 HD12 ILE 10 -0.733 -3.394 -14.031 77 HD13 ILE 10 HD13 ILE 10 0.223 -3.549 -15.505 78 HA PRO 11 HA PRO 11 3.715 -10.016 -16.817 79 HB2 PRO 11 HB2 PRO 11 2.806 -10.518 -19.326 80 HB3 PRO 11 HB3 PRO 11 2.280 -11.437 -17.912 81 HG2 PRO 11 HG2 PRO 11 0.909 -9.179 -19.322 82 HG3 PRO 11 HG3 PRO 11 0.223 -10.692 -18.701 83 HD2 PRO 11 HD2 PRO 11 0.014 -8.343 -17.370 84 HD3 PRO 11 HD3 PRO 11 0.127 -9.906 -16.535 85 H HIS 12 H HIS 12 5.515 -8.970 -17.364 86 HA HIS 12 HA HIS 12 5.365 -6.910 -19.466 87 HB2 HIS 12 HB2 HIS 12 7.459 -6.966 -17.302 88 HB3 HIS 12 HB3 HIS 12 7.013 -5.629 -18.358 89 HD1 HIS 12 HD1 HIS 12 6.817 -6.346 -15.004 90 HD2 HIS 12 HD2 HIS 12 3.935 -5.205 -17.770 91 HE1 HIS 12 HE1 HIS 12 4.939 -5.362 -13.651 92 H LYS 13 H LYS 13 7.366 -6.615 -20.716 93 HA LYS 13 HA LYS 13 8.775 -9.178 -21.074 94 HB2 LYS 13 HB2 LYS 13 7.249 -8.338 -22.941 95 HB3 LYS 13 HB3 LYS 13 8.434 -7.061 -23.192 96 HG2 LYS 13 HG2 LYS 13 9.193 -8.561 -24.710 97 HG3 LYS 13 HG3 LYS 13 10.088 -9.127 -23.298 98 HD2 LYS 13 HD2 LYS 13 8.569 -10.906 -22.932 99 HD3 LYS 13 HD3 LYS 13 7.394 -10.230 -24.063 100 HE2 LYS 13 HE2 LYS 13 8.418 -12.011 -25.211 101 HE3 LYS 13 HE3 LYS 13 9.159 -10.548 -25.858 102 HZ1 LYS 13 HZ1 LYS 13 11.117 -11.390 -25.320 103 HZ2 LYS 13 HZ2 LYS 13 10.400 -12.737 -24.591 104 HZ3 LYS 13 HZ3 LYS 13 10.692 -11.340 -23.684 105 H GLN 14 H GLN 14 10.760 -9.078 -20.260 106 HA GLN 14 HA GLN 14 12.153 -6.643 -19.808 107 HB2 GLN 14 HB2 GLN 14 12.396 -8.814 -18.509 108 HB3 GLN 14 HB3 GLN 14 13.374 -9.399 -19.848 109 HG2 GLN 14 HG2 GLN 14 15.015 -7.706 -19.481 110 HG3 GLN 14 HG3 GLN 14 13.994 -6.905 -18.287 111 HE21 GLN 14 HE21 GLN 14 16.170 -7.223 -17.169 112 HE22 GLN 14 HE22 GLN 14 16.327 -8.653 -16.212 113 H VAL 15 H VAL 15 13.827 -5.703 -20.905 114 HA VAL 15 HA VAL 15 14.860 -6.988 -23.311 115 HB VAL 15 HB VAL 15 14.523 -4.847 -24.609 116 HG11 VAL 15 HG11 VAL 15 13.199 -6.694 -25.226 117 HG12 VAL 15 HG12 VAL 15 12.200 -6.565 -23.776 118 HG13 VAL 15 HG13 VAL 15 12.072 -5.349 -25.048 119 HG21 VAL 15 HG21 VAL 15 12.656 -4.282 -22.310 120 HG22 VAL 15 HG22 VAL 15 14.040 -3.317 -22.826 121 HG23 VAL 15 HG23 VAL 15 12.613 -3.431 -23.855 122 H LYS 16 H LYS 16 16.662 -5.685 -24.284 123 HA LYS 16 HA LYS 16 18.336 -4.659 -22.130 124 HB2 LYS 16 HB2 LYS 16 19.078 -5.192 -25.010 125 HB3 LYS 16 HB3 LYS 16 20.184 -4.911 -23.672 126 HG2 LYS 16 HG2 LYS 16 19.459 -6.992 -22.627 127 HG3 LYS 16 HG3 LYS 16 18.337 -7.273 -23.959 128 HD2 LYS 16 HD2 LYS 16 20.379 -8.565 -24.265 129 HD3 LYS 16 HD3 LYS 16 20.223 -7.338 -25.525 130 HE2 LYS 16 HE2 LYS 16 21.790 -5.903 -24.350 131 HE3 LYS 16 HE3 LYS 16 21.900 -7.069 -23.032 132 HZ1 LYS 16 HZ1 LYS 16 22.685 -7.640 -25.837 133 HZ2 LYS 16 HZ2 LYS 16 22.913 -8.646 -24.497 134 HZ3 LYS 16 HZ3 LYS 16 23.768 -7.191 -24.616 135 H LEU 17 H LEU 17 19.073 -2.599 -21.983 136 HA LEU 17 HA LEU 17 17.826 -0.637 -23.751 137 HB2 LEU 17 HB2 LEU 17 19.208 -0.432 -21.090 138 HB3 LEU 17 HB3 LEU 17 18.766 0.987 -22.037 139 HG LEU 17 HG LEU 17 16.649 -1.002 -21.365 140 HD11 LEU 17 HD11 LEU 17 17.660 -0.760 -19.230 141 HD12 LEU 17 HD12 LEU 17 16.241 0.286 -19.252 142 HD13 LEU 17 HD13 LEU 17 17.852 0.980 -19.446 143 HD21 LEU 17 HD21 LEU 17 16.025 0.794 -22.806 144 HD22 LEU 17 HD22 LEU 17 16.773 1.984 -21.742 145 HD23 LEU 17 HD23 LEU 17 15.328 1.118 -21.218 146 HA PRO 18 HA PRO 18 21.478 0.422 -25.941 147 HB2 PRO 18 HB2 PRO 18 21.196 3.108 -26.222 148 HB3 PRO 18 HB3 PRO 18 20.207 1.940 -27.108 149 HG2 PRO 18 HG2 PRO 18 19.547 3.488 -24.633 150 HG3 PRO 18 HG3 PRO 18 18.537 3.167 -26.055 151 HD2 PRO 18 HD2 PRO 18 18.288 1.771 -23.748 152 HD3 PRO 18 HD3 PRO 18 17.982 1.047 -25.341 153 H ASN 19 H ASN 19 20.893 1.688 -22.812 154 HA ASN 19 HA ASN 19 23.322 3.195 -22.574 155 HB2 ASN 19 HB2 ASN 19 21.628 2.131 -20.313 156 HB3 ASN 19 HB3 ASN 19 22.710 3.521 -20.289 157 HD21 ASN 19 HD21 ASN 19 19.567 2.586 -20.470 158 HD22 ASN 19 HD22 ASN 19 18.884 4.005 -21.182 159 H GLY 20 H GLY 20 22.467 -0.112 -22.336 160 HA2 GLY 20 HA2 GLY 20 24.301 -1.716 -22.393 161 HA3 GLY 20 HA3 GLY 20 25.147 -0.695 -21.239 162 H GLN 21 H GLN 21 22.514 -0.310 -19.787 163 HA GLN 21 HA GLN 21 22.738 -2.743 -18.182 164 HB2 GLN 21 HB2 GLN 21 21.226 -0.219 -17.508 165 HB3 GLN 21 HB3 GLN 21 21.694 -1.510 -16.409 166 HG2 GLN 21 HG2 GLN 21 23.584 0.345 -17.839 167 HG3 GLN 21 HG3 GLN 21 23.097 0.469 -16.149 168 HE21 GLN 21 HE21 GLN 21 23.324 -1.856 -15.062 169 HE22 GLN 21 HE22 GLN 21 24.897 -2.544 -15.245 170 H LEU 22 H LEU 22 20.662 -3.537 -17.166 171 HA LEU 22 HA LEU 22 18.699 -3.901 -19.292 172 HB2 LEU 22 HB2 LEU 22 19.203 -5.308 -16.684 173 HB3 LEU 22 HB3 LEU 22 17.781 -5.629 -17.674 174 HG LEU 22 HG LEU 22 20.656 -6.102 -18.456 175 HD11 LEU 22 HD11 LEU 22 18.973 -7.647 -16.904 176 HD12 LEU 22 HD12 LEU 22 20.407 -8.204 -17.766 177 HD13 LEU 22 HD13 LEU 22 18.818 -8.345 -18.517 178 HD21 LEU 22 HD21 LEU 22 18.096 -6.503 -19.995 179 HD22 LEU 22 HD22 LEU 22 19.661 -7.166 -20.468 180 HD23 LEU 22 HD23 LEU 22 19.424 -5.417 -20.400 181 H CYS 23 H CYS 23 16.420 -3.746 -18.875 182 HA CYS 23 HA CYS 23 15.591 -1.362 -17.761 183 HB2 CYS 23 HB2 CYS 23 13.922 -3.870 -18.040 184 HB3 CYS 23 HB3 CYS 23 13.314 -2.222 -17.925 185 H LYS 24 H LYS 24 14.097 -1.021 -15.919 186 HA LYS 24 HA LYS 24 15.130 -2.407 -13.559 187 HB2 LYS 24 HB2 LYS 24 13.916 0.259 -14.077 188 HB3 LYS 24 HB3 LYS 24 13.653 -0.453 -12.491 189 HG2 LYS 24 HG2 LYS 24 16.346 0.004 -13.756 190 HG3 LYS 24 HG3 LYS 24 15.593 1.051 -12.551 191 HD2 LYS 24 HD2 LYS 24 16.445 -0.221 -10.941 192 HD3 LYS 24 HD3 LYS 24 15.509 -1.591 -11.542 193 HE2 LYS 24 HE2 LYS 24 17.670 -2.405 -11.626 194 HE3 LYS 24 HE3 LYS 24 17.434 -1.812 -13.270 195 HZ1 LYS 24 HZ1 LYS 24 18.436 0.356 -12.262 196 HZ2 LYS 24 HZ2 LYS 24 19.451 -0.903 -12.756 197 HZ3 LYS 24 HZ3 LYS 24 19.088 -0.704 -11.116 198 H GLU 25 H GLU 25 13.768 -3.278 -11.965 199 HA GLU 25 HA GLU 25 11.246 -4.279 -13.013 200 HB2 GLU 25 HB2 GLU 25 12.467 -4.949 -10.342 201 HB3 GLU 25 HB3 GLU 25 11.308 -5.889 -11.271 202 HG2 GLU 25 HG2 GLU 25 13.518 -5.607 -12.942 203 HG3 GLU 25 HG3 GLU 25 14.183 -5.928 -11.343 204 HA PRO 26 HA PRO 26 8.610 -1.605 -10.742 205 HB2 PRO 26 HB2 PRO 26 6.517 -3.254 -10.224 206 HB3 PRO 26 HB3 PRO 26 6.856 -2.608 -11.834 207 HG2 PRO 26 HG2 PRO 26 7.514 -5.297 -10.696 208 HG3 PRO 26 HG3 PRO 26 6.877 -4.887 -12.299 209 HD2 PRO 26 HD2 PRO 26 9.491 -5.446 -11.869 210 HD3 PRO 26 HD3 PRO 26 8.952 -4.297 -13.110 211 H GLY 27 H GLY 27 9.088 -0.938 -8.743 212 HA2 GLY 27 HA2 GLY 27 8.462 -1.187 -6.389 213 HA3 GLY 27 HA3 GLY 27 8.849 -2.896 -6.542 214 H ASP 28 H ASP 28 11.279 -2.404 -8.085 215 HA ASP 28 HA ASP 28 13.025 -1.824 -5.834 216 HB2 ASP 28 HB2 ASP 28 13.382 -3.100 -8.520 217 HB3 ASP 28 HB3 ASP 28 14.791 -2.483 -7.663 218 H SER 29 H SER 29 14.563 -0.212 -5.771 219 HA SER 29 HA SER 29 13.953 2.252 -6.873 220 HB2 SER 29 HB2 SER 29 16.490 1.129 -5.707 221 HB3 SER 29 HB3 SER 29 16.435 2.776 -6.333 222 HG SER 29 HG SER 29 15.677 3.236 -4.430 223 H CYS 30 H CYS 30 15.336 3.573 -8.344 224 HA CYS 30 HA CYS 30 16.554 1.994 -10.498 225 HB2 CYS 30 HB2 CYS 30 14.807 4.339 -11.169 226 HB3 CYS 30 HB3 CYS 30 15.303 2.996 -12.194 227 H SER 31 H SER 31 17.557 3.636 -12.161 228 HA SER 31 HA SER 31 19.154 5.517 -10.565 229 HB2 SER 31 HB2 SER 31 19.857 3.565 -12.503 230 HB3 SER 31 HB3 SER 31 20.216 5.145 -13.201 231 HG SER 31 HG SER 31 20.992 4.566 -10.562 232 H LYS 32 H LYS 32 17.105 5.248 -13.385 233 HA LYS 32 HA LYS 32 16.690 8.100 -13.400 234 HB2 LYS 32 HB2 LYS 32 18.184 6.709 -15.598 235 HB3 LYS 32 HB3 LYS 32 17.185 8.110 -15.959 236 HG2 LYS 32 HG2 LYS 32 18.494 9.347 -14.193 237 HG3 LYS 32 HG3 LYS 32 19.597 7.969 -14.174 238 HD2 LYS 32 HD2 LYS 32 19.685 8.337 -16.745 239 HD3 LYS 32 HD3 LYS 32 19.069 9.945 -16.360 240 HE2 LYS 32 HE2 LYS 32 21.419 10.150 -16.429 241 HE3 LYS 32 HE3 LYS 32 20.984 10.145 -14.722 242 HZ1 LYS 32 HZ1 LYS 32 21.795 7.673 -16.127 243 HZ2 LYS 32 HZ2 LYS 32 21.754 7.970 -14.463 244 HZ3 LYS 32 HZ3 LYS 32 22.932 8.710 -15.424 245 H ARG 33 H ARG 33 14.850 8.732 -14.603 246 HA ARG 33 HA ARG 33 12.719 6.962 -14.600 247 HB2 ARG 33 HB2 ARG 33 12.702 9.524 -14.732 248 HB3 ARG 33 HB3 ARG 33 12.879 9.317 -16.470 249 HG2 ARG 33 HG2 ARG 33 10.789 8.191 -16.630 250 HG3 ARG 33 HG3 ARG 33 10.645 8.092 -14.873 251 HD2 ARG 33 HD2 ARG 33 10.871 10.742 -16.251 252 HD3 ARG 33 HD3 ARG 33 9.318 9.914 -16.144 253 HE ARG 33 HE ARG 33 10.351 9.953 -13.585 254 HH11 ARG 33 HH11 ARG 33 9.406 12.285 -15.990 255 HH12 ARG 33 HH12 ARG 33 8.953 13.492 -14.832 256 HH21 ARG 33 HH21 ARG 33 9.760 11.533 -12.050 257 HH22 ARG 33 HH22 ARG 33 9.156 13.064 -12.590 258 H ASP 34 H ASP 34 15.059 7.645 -17.110 259 HA ASP 34 HA ASP 34 13.677 6.414 -19.253 260 HB2 ASP 34 HB2 ASP 34 16.543 7.157 -18.756 261 HB3 ASP 34 HB3 ASP 34 16.103 6.212 -20.178 262 H GLU 35 H GLU 35 15.555 5.181 -16.620 263 HA GLU 35 HA GLU 35 16.287 2.688 -17.718 264 HB2 GLU 35 HB2 GLU 35 15.773 3.418 -14.830 265 HB3 GLU 35 HB3 GLU 35 16.614 1.977 -15.385 266 HG2 GLU 35 HG2 GLU 35 18.102 3.817 -16.609 267 HG3 GLU 35 HG3 GLU 35 17.535 4.783 -15.247 268 H CYS 36 H CYS 36 13.351 3.860 -16.229 269 HA CYS 36 HA CYS 36 12.150 1.327 -15.778 270 HB2 CYS 36 HB2 CYS 36 11.544 3.852 -15.016 271 HB3 CYS 36 HB3 CYS 36 10.382 3.637 -16.321 272 H CYS 37 H CYS 37 11.523 -0.076 -17.267 273 HA CYS 37 HA CYS 37 11.176 0.723 -20.019 274 HB2 CYS 37 HB2 CYS 37 11.462 -1.807 -18.535 275 HB3 CYS 37 HB3 CYS 37 10.406 -1.895 -19.942 276 H LYS 38 H LYS 38 9.223 -0.584 -21.123 277 HA LYS 38 HA LYS 38 6.810 0.443 -19.801 278 HB2 LYS 38 HB2 LYS 38 7.024 -0.439 -22.675 279 HB3 LYS 38 HB3 LYS 38 5.801 0.592 -21.945 280 HG2 LYS 38 HG2 LYS 38 7.874 2.136 -21.452 281 HG3 LYS 38 HG3 LYS 38 8.568 1.246 -22.810 282 HD2 LYS 38 HD2 LYS 38 7.075 2.111 -24.317 283 HD3 LYS 38 HD3 LYS 38 5.816 2.341 -23.102 284 HE2 LYS 38 HE2 LYS 38 6.937 4.266 -22.218 285 HE3 LYS 38 HE3 LYS 38 8.345 3.974 -23.237 286 HZ1 LYS 38 HZ1 LYS 38 6.317 5.631 -23.853 287 HZ2 LYS 38 HZ2 LYS 38 5.870 4.234 -24.692 288 HZ3 LYS 38 HZ3 LYS 38 7.375 4.949 -24.981 289 H ALA 39 H ALA 39 4.808 -0.822 -20.059 290 HA ALA 39 HA ALA 39 5.310 -3.608 -19.441 291 HB1 ALA 39 HB1 ALA 39 3.025 -3.705 -18.743 292 HB2 ALA 39 HB2 ALA 39 3.719 -2.204 -18.129 293 HB3 ALA 39 HB3 ALA 39 2.662 -2.174 -19.540 294 H ASP 40 H ASP 40 3.761 -5.262 -20.376 295 HA ASP 40 HA ASP 40 4.201 -5.605 -23.077 296 HB2 ASP 40 HB2 ASP 40 2.176 -6.765 -21.189 297 HB3 ASP 40 HB3 ASP 40 2.135 -7.185 -22.900 298 H ASP 41 H ASP 41 1.393 -4.179 -21.467 299 HA ASP 41 HA ASP 41 0.375 -3.351 -24.104 300 HB2 ASP 41 HB2 ASP 41 -1.018 -4.795 -22.384 301 HB3 ASP 41 HB3 ASP 41 -1.318 -3.225 -21.644 302 H GLN 42 H GLN 42 2.378 -1.812 -23.348 303 HA GLN 42 HA GLN 42 1.998 0.260 -21.569 304 HB2 GLN 42 HB2 GLN 42 3.583 1.543 -22.933 305 HB3 GLN 42 HB3 GLN 42 4.111 -0.122 -22.733 306 HG2 GLN 42 HG2 GLN 42 3.513 -0.680 -24.946 307 HG3 GLN 42 HG3 GLN 42 2.618 0.824 -25.158 308 HE21 GLN 42 HE21 GLN 42 5.599 -0.742 -25.483 309 HE22 GLN 42 HE22 GLN 42 6.539 0.623 -25.969 310 H LYS 43 H LYS 43 0.574 -0.227 -24.706 311 HA LYS 43 HA LYS 43 -0.259 2.350 -25.330 312 HB2 LYS 43 HB2 LYS 43 -1.707 -0.253 -25.850 313 HB3 LYS 43 HB3 LYS 43 -2.041 1.273 -26.657 314 HG2 LYS 43 HG2 LYS 43 -0.197 1.142 -27.974 315 HG3 LYS 43 HG3 LYS 43 0.740 0.260 -26.765 316 HD2 LYS 43 HD2 LYS 43 -0.172 -1.783 -27.360 317 HD3 LYS 43 HD3 LYS 43 -1.609 -1.047 -28.075 318 HE2 LYS 43 HE2 LYS 43 0.111 -0.028 -29.758 319 HE3 LYS 43 HE3 LYS 43 1.137 -1.356 -29.212 320 HZ1 LYS 43 HZ1 LYS 43 -1.066 -1.414 -31.004 321 HZ2 LYS 43 HZ2 LYS 43 -1.318 -2.485 -29.720 322 HZ3 LYS 43 HZ3 LYS 43 0.073 -2.619 -30.671 323 H THR 44 H THR 44 -1.491 0.096 -22.983 324 HA THR 44 HA THR 44 -3.688 1.956 -22.354 325 HB THR 44 HB THR 44 -4.538 -0.096 -20.997 326 HG1 THR 44 HG1 THR 44 -3.807 -2.069 -21.763 327 HG21 THR 44 HG21 THR 44 -6.046 0.136 -22.629 328 HG22 THR 44 HG22 THR 44 -5.115 -1.048 -23.545 329 HG23 THR 44 HG23 THR 44 -4.820 0.675 -23.775 330 H TYR 45 H TYR 45 -1.071 0.027 -20.980 331 HA TYR 45 HA TYR 45 -1.484 1.275 -18.367 332 HB2 TYR 45 HB2 TYR 45 0.595 -0.802 -19.030 333 HB3 TYR 45 HB3 TYR 45 -0.089 -0.406 -17.458 334 HD1 TYR 45 HD1 TYR 45 -3.000 -0.358 -18.247 335 HD2 TYR 45 HD2 TYR 45 0.118 -3.107 -19.149 336 HE1 TYR 45 HE1 TYR 45 -4.666 -2.147 -18.517 337 HE2 TYR 45 HE2 TYR 45 -1.538 -4.905 -19.423 338 HH TYR 45 HH TYR 45 -4.079 -5.237 -18.391 339 H SER 46 H SER 46 0.070 2.514 -17.341 340 HA SER 46 HA SER 46 2.080 3.681 -19.133 341 HB2 SER 46 HB2 SER 46 0.250 5.012 -17.751 342 HB3 SER 46 HB3 SER 46 1.447 4.868 -16.464 343 HG SER 46 HG SER 46 1.610 6.778 -17.859 344 H SER 47 H SER 47 4.219 4.050 -18.409 345 HA SER 47 HA SER 47 5.045 2.534 -16.033 346 HB2 SER 47 HB2 SER 47 6.752 1.374 -17.170 347 HB3 SER 47 HB3 SER 47 5.365 1.262 -18.253 348 HG SER 47 HG SER 47 7.726 2.731 -18.519 349 H GLY 48 H GLY 48 6.724 3.404 -14.884 350 HA2 GLY 48 HA2 GLY 48 8.598 5.261 -15.831 351 HA3 GLY 48 HA3 GLY 48 7.244 6.155 -15.154 352 H CYS 49 H CYS 49 9.911 6.210 -14.173 353 HA CYS 49 HA CYS 49 9.517 4.970 -11.528 354 HB2 CYS 49 HB2 CYS 49 11.422 4.075 -13.039 355 HB3 CYS 49 HB3 CYS 49 12.234 5.589 -12.653 356 H ALA 50 H ALA 50 8.876 6.568 -10.227 357 HA ALA 50 HA ALA 50 10.444 9.064 -10.244 358 HB1 ALA 50 HB1 ALA 50 8.399 10.259 -9.553 359 HB2 ALA 50 HB2 ALA 50 8.252 9.528 -11.151 360 HB3 ALA 50 HB3 ALA 50 7.482 8.767 -9.760 361 H GLN 51 H GLN 51 10.510 10.194 -8.169 362 HA GLN 51 HA GLN 51 11.284 8.533 -6.064 363 HB2 GLN 51 HB2 GLN 51 10.365 11.398 -5.807 364 HB3 GLN 51 HB3 GLN 51 11.452 10.532 -4.728 365 HG2 GLN 51 HG2 GLN 51 12.488 10.446 -7.389 366 HG3 GLN 51 HG3 GLN 51 12.110 12.112 -6.953 367 HE21 GLN 51 HE21 GLN 51 13.487 9.255 -5.350 368 HE22 GLN 51 HE22 GLN 51 14.838 10.082 -4.663 369 H THR 52 H THR 52 10.313 7.881 -4.173 370 HA THR 52 HA THR 52 7.550 8.616 -3.643 371 HB THR 52 HB THR 52 6.783 6.281 -3.490 372 HG1 THR 52 HG1 THR 52 9.296 5.666 -4.697 373 HG21 THR 52 HG21 THR 52 7.926 6.759 -6.236 374 HG22 THR 52 HG22 THR 52 6.560 7.674 -5.600 375 HG23 THR 52 HG23 THR 52 6.431 5.927 -5.807 376 H TRP 53 H TRP 53 7.285 8.886 -1.528 377 HA TRP 53 HA TRP 53 9.270 8.597 0.362 378 HB2 TRP 53 HB2 TRP 53 7.342 9.987 0.789 379 HB3 TRP 53 HB3 TRP 53 6.270 8.591 0.736 380 HD1 TRP 53 HD1 TRP 53 6.120 7.071 2.903 381 HE1 TRP 53 HE1 TRP 53 6.908 7.410 5.330 382 HE3 TRP 53 HE3 TRP 53 9.249 11.051 2.192 383 HZ2 TRP 53 HZ2 TRP 53 8.626 9.138 6.755 384 HZ3 TRP 53 HZ3 TRP 53 10.427 11.988 4.139 385 HH2 TRP 53 HH2 TRP 53 10.120 11.049 6.372 386 H SER 54 H SER 54 10.295 6.797 0.929 387 HA SER 54 HA SER 54 8.756 4.300 1.152 388 HB2 SER 54 HB2 SER 54 10.677 4.278 -0.421 389 HB3 SER 54 HB3 SER 54 11.755 4.661 0.921 390 HG SER 54 HG SER 54 10.554 2.277 0.241 391 H ALA 55 H ALA 55 8.288 3.594 3.116 392 HA ALA 55 HA ALA 55 9.359 4.839 5.458 393 HB1 ALA 55 HB1 ALA 55 7.984 3.053 6.633 394 HB2 ALA 55 HB2 ALA 55 7.105 4.183 5.600 395 HB3 ALA 55 HB3 ALA 55 7.458 2.553 5.025 396 H MET 56 H MET 56 9.824 1.747 3.827 397 HA MET 56 HA MET 56 11.395 0.545 5.854 398 HB2 MET 56 HB2 MET 56 11.003 0.010 2.925 399 HB3 MET 56 HB3 MET 56 12.199 -0.887 3.849 400 HG2 MET 56 HG2 MET 56 10.295 -1.434 5.455 401 HG3 MET 56 HG3 MET 56 9.224 -0.855 4.180 402 HE1 MET 56 HE1 MET 56 8.096 -3.832 3.812 403 HE2 MET 56 HE2 MET 56 9.305 -4.785 4.674 404 HE3 MET 56 HE3 MET 56 8.729 -3.264 5.356 405 H GLU 57 H GLU 57 12.287 2.178 2.817 406 HA GLU 57 HA GLU 57 15.087 2.015 3.307 407 HB2 GLU 57 HB2 GLU 57 13.660 3.944 1.473 408 HB3 GLU 57 HB3 GLU 57 15.339 3.431 1.376 409 HG2 GLU 57 HG2 GLU 57 13.000 1.573 1.042 410 HG3 GLU 57 HG3 GLU 57 13.819 2.380 -0.294 411 H GLY 58 H GLY 58 12.595 4.369 4.030 412 HA2 GLY 58 HA2 GLY 58 12.631 6.110 5.547 413 HA3 GLY 58 HA3 GLY 58 14.277 5.655 5.962 414 H GLY 59 H GLY 59 13.203 6.413 2.704 415 HA2 GLY 59 HA2 GLY 59 13.964 9.144 2.720 416 HA3 GLY 59 HA3 GLY 59 15.300 8.156 2.149 417 H PHE 60 H PHE 60 13.588 10.170 0.777 418 HA PHE 60 HA PHE 60 11.793 8.993 -0.997 419 HB2 PHE 60 HB2 PHE 60 13.510 11.453 -1.145 420 HB3 PHE 60 HB3 PHE 60 12.525 10.970 -2.521 421 HD1 PHE 60 HD1 PHE 60 12.595 13.091 0.154 422 HD2 PHE 60 HD2 PHE 60 10.018 10.244 -1.683 423 HE1 PHE 60 HE1 PHE 60 10.648 14.205 1.166 424 HE2 PHE 60 HE2 PHE 60 8.067 11.356 -0.676 425 HZ PHE 60 HZ PHE 60 8.381 13.338 0.753 426 H VAL 61 H VAL 61 12.068 7.521 -2.526 427 HA VAL 61 HA VAL 61 14.575 7.481 -4.048 428 HB VAL 61 HB VAL 61 14.493 4.955 -3.987 429 HG11 VAL 61 HG11 VAL 61 16.250 5.428 -2.698 430 HG12 VAL 61 HG12 VAL 61 15.437 6.814 -1.969 431 HG13 VAL 61 HG13 VAL 61 15.177 5.195 -1.318 432 HG21 VAL 61 HG21 VAL 61 12.856 5.321 -1.494 433 HG22 VAL 61 HG22 VAL 61 12.119 4.963 -3.055 434 HG23 VAL 61 HG23 VAL 61 13.257 3.824 -2.335 435 H ARG 62 H ARG 62 14.375 6.886 -6.174 436 HA ARG 62 HA ARG 62 11.749 7.044 -7.306 437 HB2 ARG 62 HB2 ARG 62 14.338 6.354 -8.702 438 HB3 ARG 62 HB3 ARG 62 12.858 6.943 -9.448 439 HG2 ARG 62 HG2 ARG 62 13.626 8.811 -7.463 440 HG3 ARG 62 HG3 ARG 62 15.048 8.428 -8.435 441 HD2 ARG 62 HD2 ARG 62 13.422 8.748 -10.443 442 HD3 ARG 62 HD3 ARG 62 12.442 9.631 -9.272 443 HE ARG 62 HE ARG 62 13.964 11.344 -9.335 444 HH11 ARG 62 HH11 ARG 62 15.354 8.511 -10.808 445 HH12 ARG 62 HH12 ARG 62 16.750 9.347 -11.404 446 HH21 ARG 62 HH21 ARG 62 15.798 12.454 -10.115 447 HH22 ARG 62 HH22 ARG 62 17.003 11.589 -11.010 448 H GLU 63 H GLU 63 10.400 5.371 -7.260 449 HA GLU 63 HA GLU 63 11.497 2.676 -7.731 450 HB2 GLU 63 HB2 GLU 63 9.822 1.753 -6.344 451 HB3 GLU 63 HB3 GLU 63 10.444 3.144 -5.468 452 HG2 GLU 63 HG2 GLU 63 8.527 4.465 -6.194 453 HG3 GLU 63 HG3 GLU 63 7.904 3.076 -7.082 454 H CYS 64 H CYS 64 10.658 1.456 -9.336 455 HA CYS 64 HA CYS 64 9.201 2.692 -11.406 456 HB2 CYS 64 HB2 CYS 64 10.297 0.013 -10.856 457 HB3 CYS 64 HB3 CYS 64 8.895 0.027 -11.922 458 H TYR 65 H TYR 65 7.096 2.244 -12.197 459 HA TYR 65 HA TYR 65 5.237 0.790 -10.522 460 HB2 TYR 65 HB2 TYR 65 3.704 2.754 -10.299 461 HB3 TYR 65 HB3 TYR 65 5.195 2.906 -9.376 462 HD1 TYR 65 HD1 TYR 65 3.583 3.939 -12.564 463 HD2 TYR 65 HD2 TYR 65 6.580 4.771 -9.661 464 HE1 TYR 65 HE1 TYR 65 4.027 6.101 -13.649 465 HE2 TYR 65 HE2 TYR 65 7.031 6.935 -10.738 466 HH TYR 65 HH TYR 65 5.990 8.521 -12.194 467 H ILE 66 H ILE 66 3.346 0.219 -11.583 468 HA ILE 66 HA ILE 66 2.996 1.178 -14.331 469 HB ILE 66 HB ILE 66 3.072 -1.732 -13.527 470 HG12 ILE 66 HG12 ILE 66 4.749 -0.293 -15.585 471 HG13 ILE 66 HG13 ILE 66 5.263 -0.502 -13.913 472 HG21 ILE 66 HG21 ILE 66 2.285 -0.430 -16.126 473 HG22 ILE 66 HG22 ILE 66 2.648 -2.146 -15.952 474 HG23 ILE 66 HG23 ILE 66 1.283 -1.441 -15.085 475 HD11 ILE 66 HD11 ILE 66 6.263 -2.183 -15.325 476 HD12 ILE 66 HD12 ILE 66 5.131 -2.933 -14.199 477 HD13 ILE 66 HD13 ILE 66 4.672 -2.696 -15.884 478 H CYS 67 H CYS 67 0.977 1.825 -14.631 479 HA CYS 67 HA CYS 67 -1.237 0.324 -13.493 480 HB2 CYS 67 HB2 CYS 67 -0.299 2.502 -12.092 481 HB3 CYS 67 HB3 CYS 67 -1.589 3.202 -13.062 482 H ALA 68 H ALA 68 -3.280 0.843 -14.451 483 HA ALA 68 HA ALA 68 -3.107 1.413 -17.219 484 HB1 ALA 68 HB1 ALA 68 -5.270 0.732 -17.344 485 HB2 ALA 68 HB2 ALA 68 -4.869 0.050 -15.767 486 HB3 ALA 68 HB3 ALA 68 -5.740 1.580 -15.870 487 H VAL 69 H VAL 69 -3.631 3.210 -18.387 488 HA VAL 69 HA VAL 69 -3.522 5.732 -17.030 489 HB VAL 69 HB VAL 69 -4.124 5.278 -19.952 490 HG11 VAL 69 HG11 VAL 69 -3.841 7.486 -20.245 491 HG12 VAL 69 HG12 VAL 69 -4.182 7.585 -18.518 492 HG13 VAL 69 HG13 VAL 69 -2.513 7.571 -19.089 493 HG21 VAL 69 HG21 VAL 69 -1.692 4.769 -18.444 494 HG22 VAL 69 HG22 VAL 69 -2.110 4.323 -20.099 495 HG23 VAL 69 HG23 VAL 69 -1.448 5.922 -19.756 496 H GLU 70 H GLU 70 -5.983 4.020 -18.940 497 HA GLU 70 HA GLU 70 -7.961 6.049 -18.597 498 HB2 GLU 70 HB2 GLU 70 -9.520 4.320 -19.500 499 HB3 GLU 70 HB3 GLU 70 -8.113 4.611 -20.514 500 HG2 GLU 70 HG2 GLU 70 -7.065 2.595 -19.725 501 HG3 GLU 70 HG3 GLU 70 -8.372 2.327 -18.573 502 H SER 71 H SER 71 -7.117 3.088 -16.911 503 HA SER 71 HA SER 71 -9.400 3.394 -15.110 504 HB2 SER 71 HB2 SER 71 -8.454 1.149 -16.171 505 HB3 SER 71 HB3 SER 71 -7.394 1.211 -14.763 506 HG SER 71 HG SER 71 -9.386 1.471 -13.513 507 H SER 72 H SER 72 -9.156 4.636 -13.384 508 HA SER 72 HA SER 72 -6.574 5.402 -12.407 509 HB2 SER 72 HB2 SER 72 -8.441 6.985 -12.364 510 HB3 SER 72 HB3 SER 72 -9.336 5.922 -11.279 511 HG SER 72 HG SER 72 -8.362 6.984 -9.757 512 H MET 73 H MET 73 -9.112 3.197 -11.383 513 HA MET 73 HA MET 73 -7.504 2.427 -9.050 514 HB2 MET 73 HB2 MET 73 -10.409 2.075 -9.740 515 HB3 MET 73 HB3 MET 73 -9.651 1.123 -8.472 516 HG2 MET 73 HG2 MET 73 -9.043 3.175 -7.294 517 HG3 MET 73 HG3 MET 73 -9.808 4.128 -8.565 518 HE1 MET 73 HE1 MET 73 -9.979 1.591 -5.974 519 HE2 MET 73 HE2 MET 73 -11.272 2.218 -4.951 520 HE3 MET 73 HE3 MET 73 -11.611 0.938 -6.117 521 H CYS 74 H CYS 74 -6.327 1.567 -11.268 522 HA CYS 74 HA CYS 74 -7.178 -0.841 -12.393 523 HB2 CYS 74 HB2 CYS 74 -4.940 -1.108 -13.195 524 HB3 CYS 74 HB3 CYS 74 -5.298 0.615 -13.214 Start of MODEL 11 1 H1 SER 1 H SER 1 3.508 2.059 -0.929 2 HA SER 1 HA SER 1 1.006 1.018 -1.610 3 HB2 SER 1 HB2 SER 1 3.384 1.962 -3.139 4 HB3 SER 1 HB3 SER 1 2.158 1.045 -4.013 5 HG SER 1 HG SER 1 2.041 3.586 -2.933 6 H ASN 2 H ASN 2 0.306 -0.911 -2.381 7 HA ASN 2 HA ASN 2 1.909 -3.217 -1.885 8 HB2 ASN 2 HB2 ASN 2 -0.802 -2.904 -3.188 9 HB3 ASN 2 HB3 ASN 2 -0.060 -4.457 -2.816 10 HD21 ASN 2 HD21 ASN 2 -2.525 -3.645 -1.810 11 HD22 ASN 2 HD22 ASN 2 -2.387 -3.457 -0.098 12 H ARG 3 H ARG 3 2.232 -4.951 -3.509 13 HA ARG 3 HA ARG 3 3.818 -4.140 -5.616 14 HB2 ARG 3 HB2 ARG 3 3.382 -6.485 -6.533 15 HB3 ARG 3 HB3 ARG 3 4.047 -6.373 -4.909 16 HG2 ARG 3 HG2 ARG 3 1.903 -6.825 -3.936 17 HG3 ARG 3 HG3 ARG 3 1.126 -6.760 -5.520 18 HD2 ARG 3 HD2 ARG 3 2.003 -8.790 -6.180 19 HD3 ARG 3 HD3 ARG 3 3.355 -8.690 -5.052 20 HE ARG 3 HE ARG 3 0.724 -9.740 -4.526 21 HH11 ARG 3 HH11 ARG 3 3.633 -8.418 -3.141 22 HH12 ARG 3 HH12 ARG 3 3.380 -9.146 -1.589 23 HH21 ARG 3 HH21 ARG 3 0.381 -10.704 -2.487 24 HH22 ARG 3 HH22 ARG 3 1.531 -10.447 -1.219 25 H TRP 4 H TRP 4 0.371 -4.929 -5.622 26 HA TRP 4 HA TRP 4 -0.130 -4.896 -8.342 27 HB2 TRP 4 HB2 TRP 4 -1.969 -3.761 -6.229 28 HB3 TRP 4 HB3 TRP 4 -2.430 -4.424 -7.794 29 HD1 TRP 4 HD1 TRP 4 -2.516 -5.377 -4.337 30 HE1 TRP 4 HE1 TRP 4 -2.557 -7.934 -4.034 31 HE3 TRP 4 HE3 TRP 4 -1.055 -6.776 -9.032 32 HZ2 TRP 4 HZ2 TRP 4 -2.038 -10.237 -5.580 33 HZ3 TRP 4 HZ3 TRP 4 -0.852 -9.175 -9.538 34 HH2 TRP 4 HH2 TRP 4 -1.332 -10.868 -7.847 35 H ASN 5 H ASN 5 0.234 -2.200 -6.106 36 HA ASN 5 HA ASN 5 -0.680 -0.139 -7.762 37 HB2 ASN 5 HB2 ASN 5 1.489 -0.042 -5.652 38 HB3 ASN 5 HB3 ASN 5 0.661 1.357 -6.329 39 HD21 ASN 5 HD21 ASN 5 -1.046 2.076 -5.280 40 HD22 ASN 5 HD22 ASN 5 -1.961 1.196 -4.109 41 H LEU 6 H LEU 6 2.436 -1.753 -7.576 42 HA LEU 6 HA LEU 6 3.597 0.053 -9.544 43 HB2 LEU 6 HB2 LEU 6 4.764 -2.358 -8.160 44 HB3 LEU 6 HB3 LEU 6 5.646 -1.252 -9.212 45 HG LEU 6 HG LEU 6 6.260 -0.599 -7.064 46 HD11 LEU 6 HD11 LEU 6 3.901 1.165 -7.696 47 HD12 LEU 6 HD12 LEU 6 5.476 1.273 -8.482 48 HD13 LEU 6 HD13 LEU 6 5.329 1.594 -6.755 49 HD21 LEU 6 HD21 LEU 6 5.053 -0.866 -5.184 50 HD22 LEU 6 HD22 LEU 6 4.078 -1.932 -6.195 51 HD23 LEU 6 HD23 LEU 6 3.568 -0.266 -5.923 52 H GLY 7 H GLY 7 1.420 -2.170 -9.914 53 HA2 GLY 7 HA2 GLY 7 0.820 -3.661 -11.556 54 HA3 GLY 7 HA3 GLY 7 1.848 -2.688 -12.597 55 H TYR 8 H TYR 8 3.003 -4.484 -9.812 56 HA TYR 8 HA TYR 8 5.098 -5.702 -11.218 57 HB2 TYR 8 HB2 TYR 8 5.230 -5.430 -8.824 58 HB3 TYR 8 HB3 TYR 8 3.809 -6.442 -8.585 59 HD1 TYR 8 HD1 TYR 8 6.817 -6.974 -10.726 60 HD2 TYR 8 HD2 TYR 8 4.528 -8.301 -7.396 61 HE1 TYR 8 HE1 TYR 8 8.266 -8.952 -10.528 62 HE2 TYR 8 HE2 TYR 8 5.972 -10.281 -7.185 63 HH TYR 8 HH TYR 8 7.504 -11.634 -8.923 64 H GLY 9 H GLY 9 2.024 -7.093 -10.064 65 HA2 GLY 9 HA2 GLY 9 2.348 -9.676 -11.016 66 HA3 GLY 9 HA3 GLY 9 0.796 -8.873 -10.835 67 H ILE 10 H ILE 10 1.230 -6.807 -12.745 68 HA ILE 10 HA ILE 10 0.250 -7.953 -15.053 69 HB ILE 10 HB ILE 10 1.885 -5.421 -14.884 70 HG12 ILE 10 HG12 ILE 10 -1.099 -5.859 -14.636 71 HG13 ILE 10 HG13 ILE 10 -0.011 -5.417 -13.324 72 HG21 ILE 10 HG21 ILE 10 0.762 -4.755 -16.916 73 HG22 ILE 10 HG22 ILE 10 1.579 -6.297 -17.170 74 HG23 ILE 10 HG23 ILE 10 -0.167 -6.255 -16.929 75 HD11 ILE 10 HD11 ILE 10 0.524 -3.403 -14.954 76 HD12 ILE 10 HD12 ILE 10 -1.103 -3.770 -15.523 77 HD13 ILE 10 HD13 ILE 10 -0.831 -3.370 -13.827 78 HA PRO 11 HA PRO 11 3.752 -9.984 -16.833 79 HB2 PRO 11 HB2 PRO 11 2.692 -10.413 -19.295 80 HB3 PRO 11 HB3 PRO 11 2.226 -11.352 -17.874 81 HG2 PRO 11 HG2 PRO 11 0.828 -9.035 -19.154 82 HG3 PRO 11 HG3 PRO 11 0.145 -10.545 -18.528 83 HD2 PRO 11 HD2 PRO 11 0.065 -8.223 -17.138 84 HD3 PRO 11 HD3 PRO 11 0.188 -9.805 -16.345 85 H HIS 12 H HIS 12 5.546 -8.999 -17.496 86 HA HIS 12 HA HIS 12 5.322 -6.883 -19.534 87 HB2 HIS 12 HB2 HIS 12 7.524 -7.023 -17.483 88 HB3 HIS 12 HB3 HIS 12 7.067 -5.661 -18.501 89 HD1 HIS 12 HD1 HIS 12 7.012 -6.406 -15.151 90 HD2 HIS 12 HD2 HIS 12 4.028 -5.166 -17.763 91 HE1 HIS 12 HE1 HIS 12 5.228 -5.390 -13.700 92 H LYS 13 H LYS 13 7.256 -6.608 -20.891 93 HA LYS 13 HA LYS 13 8.532 -9.207 -21.419 94 HB2 LYS 13 HB2 LYS 13 7.013 -8.050 -23.169 95 HB3 LYS 13 HB3 LYS 13 8.370 -6.957 -23.405 96 HG2 LYS 13 HG2 LYS 13 9.792 -8.804 -24.043 97 HG3 LYS 13 HG3 LYS 13 8.491 -9.951 -23.714 98 HD2 LYS 13 HD2 LYS 13 7.964 -7.730 -25.624 99 HD3 LYS 13 HD3 LYS 13 8.981 -9.068 -26.161 100 HE2 LYS 13 HE2 LYS 13 6.232 -9.381 -24.961 101 HE3 LYS 13 HE3 LYS 13 6.569 -9.358 -26.692 102 HZ1 LYS 13 HZ1 LYS 13 8.172 -11.233 -25.200 103 HZ2 LYS 13 HZ2 LYS 13 7.322 -11.447 -26.647 104 HZ3 LYS 13 HZ3 LYS 13 6.516 -11.574 -25.166 105 H GLN 14 H GLN 14 10.532 -9.289 -20.637 106 HA GLN 14 HA GLN 14 12.093 -7.003 -20.034 107 HB2 GLN 14 HB2 GLN 14 12.459 -8.990 -18.763 108 HB3 GLN 14 HB3 GLN 14 12.770 -9.936 -20.212 109 HG2 GLN 14 HG2 GLN 14 14.833 -9.497 -19.056 110 HG3 GLN 14 HG3 GLN 14 14.818 -8.644 -20.599 111 HE21 GLN 14 HE21 GLN 14 16.339 -7.146 -19.941 112 HE22 GLN 14 HE22 GLN 14 15.984 -5.902 -18.798 113 H VAL 15 H VAL 15 13.758 -6.038 -21.108 114 HA VAL 15 HA VAL 15 14.754 -7.159 -23.593 115 HB VAL 15 HB VAL 15 14.324 -4.984 -24.812 116 HG11 VAL 15 HG11 VAL 15 13.080 -7.087 -25.223 117 HG12 VAL 15 HG12 VAL 15 11.868 -6.562 -24.053 118 HG13 VAL 15 HG13 VAL 15 12.123 -5.640 -25.536 119 HG21 VAL 15 HG21 VAL 15 12.367 -4.598 -22.550 120 HG22 VAL 15 HG22 VAL 15 13.775 -3.594 -22.896 121 HG23 VAL 15 HG23 VAL 15 12.421 -3.636 -24.027 122 H LYS 16 H LYS 16 16.729 -6.303 -24.241 123 HA LYS 16 HA LYS 16 18.259 -5.059 -22.156 124 HB2 LYS 16 HB2 LYS 16 19.026 -5.731 -25.003 125 HB3 LYS 16 HB3 LYS 16 20.142 -5.250 -23.732 126 HG2 LYS 16 HG2 LYS 16 19.028 -7.319 -22.498 127 HG3 LYS 16 HG3 LYS 16 18.752 -7.829 -24.165 128 HD2 LYS 16 HD2 LYS 16 21.031 -7.913 -24.644 129 HD3 LYS 16 HD3 LYS 16 21.453 -6.876 -23.280 130 HE2 LYS 16 HE2 LYS 16 20.892 -8.649 -21.725 131 HE3 LYS 16 HE3 LYS 16 20.358 -9.679 -23.052 132 HZ1 LYS 16 HZ1 LYS 16 22.626 -10.174 -22.223 133 HZ2 LYS 16 HZ2 LYS 16 23.128 -8.653 -22.767 134 HZ3 LYS 16 HZ3 LYS 16 22.575 -9.807 -23.875 135 H LEU 17 H LEU 17 18.768 -2.972 -21.911 136 HA LEU 17 HA LEU 17 17.634 -1.044 -23.754 137 HB2 LEU 17 HB2 LEU 17 19.003 -0.799 -21.089 138 HB3 LEU 17 HB3 LEU 17 18.531 0.602 -22.048 139 HG LEU 17 HG LEU 17 16.449 -1.418 -21.374 140 HD11 LEU 17 HD11 LEU 17 16.039 -0.059 -19.264 141 HD12 LEU 17 HD12 LEU 17 17.699 0.507 -19.438 142 HD13 LEU 17 HD13 LEU 17 17.372 -1.212 -19.228 143 HD21 LEU 17 HD21 LEU 17 16.631 1.336 -22.305 144 HD22 LEU 17 HD22 LEU 17 15.485 1.128 -20.980 145 HD23 LEU 17 HD23 LEU 17 15.315 0.172 -22.454 146 HA PRO 18 HA PRO 18 21.298 0.024 -25.920 147 HB2 PRO 18 HB2 PRO 18 20.998 2.706 -26.224 148 HB3 PRO 18 HB3 PRO 18 20.028 1.524 -27.111 149 HG2 PRO 18 HG2 PRO 18 19.333 3.086 -24.653 150 HG3 PRO 18 HG3 PRO 18 18.339 2.748 -26.083 151 HD2 PRO 18 HD2 PRO 18 18.079 1.368 -23.767 152 HD3 PRO 18 HD3 PRO 18 17.792 0.629 -25.356 153 H ASN 19 H ASN 19 20.699 1.236 -22.791 154 HA ASN 19 HA ASN 19 23.112 2.785 -22.547 155 HB2 ASN 19 HB2 ASN 19 20.943 1.921 -20.666 156 HB3 ASN 19 HB3 ASN 19 22.451 2.563 -20.022 157 HD21 ASN 19 HD21 ASN 19 19.905 3.736 -19.708 158 HD22 ASN 19 HD22 ASN 19 19.928 5.272 -20.498 159 H GLY 20 H GLY 20 22.256 -0.523 -22.278 160 HA2 GLY 20 HA2 GLY 20 24.083 -2.131 -22.306 161 HA3 GLY 20 HA3 GLY 20 24.931 -1.093 -21.168 162 H GLN 21 H GLN 21 22.277 -0.688 -19.739 163 HA GLN 21 HA GLN 21 22.486 -3.113 -18.110 164 HB2 GLN 21 HB2 GLN 21 21.129 -0.491 -17.460 165 HB3 GLN 21 HB3 GLN 21 21.404 -1.828 -16.350 166 HG2 GLN 21 HG2 GLN 21 23.479 -0.059 -17.619 167 HG3 GLN 21 HG3 GLN 21 23.017 -0.120 -15.919 168 HE21 GLN 21 HE21 GLN 21 25.638 -0.464 -17.029 169 HE22 GLN 21 HE22 GLN 21 26.166 -2.051 -16.597 170 H LEU 22 H LEU 22 20.401 -3.842 -17.060 171 HA LEU 22 HA LEU 22 18.419 -4.201 -19.162 172 HB2 LEU 22 HB2 LEU 22 18.835 -5.500 -16.480 173 HB3 LEU 22 HB3 LEU 22 17.436 -5.833 -17.499 174 HG LEU 22 HG LEU 22 20.322 -6.418 -18.158 175 HD11 LEU 22 HD11 LEU 22 18.030 -8.328 -17.766 176 HD12 LEU 22 HD12 LEU 22 19.167 -7.896 -16.490 177 HD13 LEU 22 HD13 LEU 22 19.743 -8.708 -17.944 178 HD21 LEU 22 HD21 LEU 22 19.717 -6.379 -20.295 179 HD22 LEU 22 HD22 LEU 22 18.041 -6.037 -19.866 180 HD23 LEU 22 HD23 LEU 22 18.606 -7.705 -19.954 181 H CYS 23 H CYS 23 16.124 -4.010 -18.705 182 HA CYS 23 HA CYS 23 15.351 -1.535 -17.774 183 HB2 CYS 23 HB2 CYS 23 13.643 -4.033 -17.778 184 HB3 CYS 23 HB3 CYS 23 13.064 -2.371 -17.805 185 H LYS 24 H LYS 24 13.994 -0.965 -15.920 186 HA LYS 24 HA LYS 24 15.075 -2.133 -13.479 187 HB2 LYS 24 HB2 LYS 24 13.702 0.425 -14.178 188 HB3 LYS 24 HB3 LYS 24 13.630 -0.140 -12.514 189 HG2 LYS 24 HG2 LYS 24 16.202 0.216 -14.033 190 HG3 LYS 24 HG3 LYS 24 15.476 1.471 -13.024 191 HD2 LYS 24 HD2 LYS 24 16.066 0.443 -11.101 192 HD3 LYS 24 HD3 LYS 24 15.759 -1.170 -11.750 193 HE2 LYS 24 HE2 LYS 24 17.883 -1.416 -12.509 194 HE3 LYS 24 HE3 LYS 24 18.066 0.298 -12.876 195 HZ1 LYS 24 HZ1 LYS 24 18.526 0.788 -10.643 196 HZ2 LYS 24 HZ2 LYS 24 19.438 -0.596 -10.981 197 HZ3 LYS 24 HZ3 LYS 24 18.000 -0.724 -10.099 198 H GLU 25 H GLU 25 13.795 -2.902 -11.775 199 HA GLU 25 HA GLU 25 11.265 -4.051 -12.640 200 HB2 GLU 25 HB2 GLU 25 12.589 -4.463 -9.966 201 HB3 GLU 25 HB3 GLU 25 11.436 -5.510 -10.780 202 HG2 GLU 25 HG2 GLU 25 13.584 -5.305 -12.538 203 HG3 GLU 25 HG3 GLU 25 14.309 -5.464 -10.939 204 HA PRO 26 HA PRO 26 8.639 -1.260 -10.502 205 HB2 PRO 26 HB2 PRO 26 6.616 -2.910 -9.763 206 HB3 PRO 26 HB3 PRO 26 6.875 -2.397 -11.435 207 HG2 PRO 26 HG2 PRO 26 7.652 -4.960 -10.097 208 HG3 PRO 26 HG3 PRO 26 6.944 -4.707 -11.704 209 HD2 PRO 26 HD2 PRO 26 9.587 -5.160 -11.331 210 HD3 PRO 26 HD3 PRO 26 8.971 -4.136 -12.643 211 H GLY 27 H GLY 27 9.194 -0.413 -8.592 212 HA2 GLY 27 HA2 GLY 27 8.725 -0.408 -6.212 213 HA3 GLY 27 HA3 GLY 27 8.994 -2.144 -6.211 214 H ASP 28 H ASP 28 11.381 -1.969 -7.888 215 HA ASP 28 HA ASP 28 13.273 -1.426 -5.776 216 HB2 ASP 28 HB2 ASP 28 13.459 -2.605 -8.531 217 HB3 ASP 28 HB3 ASP 28 14.919 -2.135 -7.665 218 H SER 29 H SER 29 14.895 0.109 -5.777 219 HA SER 29 HA SER 29 14.316 2.620 -6.826 220 HB2 SER 29 HB2 SER 29 16.400 3.333 -5.957 221 HB3 SER 29 HB3 SER 29 15.899 2.013 -4.902 222 HG SER 29 HG SER 29 17.224 0.658 -6.373 223 H CYS 30 H CYS 30 15.342 3.874 -8.456 224 HA CYS 30 HA CYS 30 16.620 2.292 -10.587 225 HB2 CYS 30 HB2 CYS 30 14.856 4.639 -11.208 226 HB3 CYS 30 HB3 CYS 30 15.323 3.299 -12.248 227 H SER 31 H SER 31 17.581 3.916 -12.289 228 HA SER 31 HA SER 31 19.203 5.834 -10.759 229 HB2 SER 31 HB2 SER 31 19.998 3.779 -12.436 230 HB3 SER 31 HB3 SER 31 20.144 5.210 -13.456 231 HG SER 31 HG SER 31 21.175 5.177 -10.830 232 H LYS 32 H LYS 32 17.133 5.454 -13.547 233 HA LYS 32 HA LYS 32 16.752 8.312 -13.691 234 HB2 LYS 32 HB2 LYS 32 18.142 6.780 -15.872 235 HB3 LYS 32 HB3 LYS 32 17.194 8.215 -16.243 236 HG2 LYS 32 HG2 LYS 32 18.611 9.448 -14.569 237 HG3 LYS 32 HG3 LYS 32 19.648 8.021 -14.520 238 HD2 LYS 32 HD2 LYS 32 19.935 8.225 -16.985 239 HD3 LYS 32 HD3 LYS 32 19.026 9.737 -16.922 240 HE2 LYS 32 HE2 LYS 32 21.594 9.173 -15.443 241 HE3 LYS 32 HE3 LYS 32 21.459 10.104 -16.934 242 HZ1 LYS 32 HZ1 LYS 32 21.068 11.888 -15.712 243 HZ2 LYS 32 HZ2 LYS 32 21.113 10.980 -14.286 244 HZ3 LYS 32 HZ3 LYS 32 19.651 11.183 -15.115 245 H ARG 33 H ARG 33 14.902 8.913 -14.902 246 HA ARG 33 HA ARG 33 12.741 7.179 -14.753 247 HB2 ARG 33 HB2 ARG 33 12.622 9.670 -14.933 248 HB3 ARG 33 HB3 ARG 33 12.999 9.521 -16.644 249 HG2 ARG 33 HG2 ARG 33 10.934 7.980 -16.734 250 HG3 ARG 33 HG3 ARG 33 10.520 8.713 -15.183 251 HD2 ARG 33 HD2 ARG 33 9.423 10.098 -16.663 252 HD3 ARG 33 HD3 ARG 33 10.947 10.953 -16.435 253 HE ARG 33 HE ARG 33 11.196 9.213 -18.622 254 HH11 ARG 33 HH11 ARG 33 9.548 12.138 -17.700 255 HH12 ARG 33 HH12 ARG 33 9.471 12.759 -19.316 256 HH21 ARG 33 HH21 ARG 33 11.102 10.019 -20.753 257 HH22 ARG 33 HH22 ARG 33 10.354 11.552 -21.052 258 H ASP 34 H ASP 34 15.040 7.688 -17.334 259 HA ASP 34 HA ASP 34 13.581 6.373 -19.380 260 HB2 ASP 34 HB2 ASP 34 15.693 7.930 -19.505 261 HB3 ASP 34 HB3 ASP 34 16.575 6.413 -19.345 262 H GLU 35 H GLU 35 15.423 5.255 -16.701 263 HA GLU 35 HA GLU 35 16.206 2.728 -17.674 264 HB2 GLU 35 HB2 GLU 35 15.582 3.549 -14.833 265 HB3 GLU 35 HB3 GLU 35 16.471 2.111 -15.312 266 HG2 GLU 35 HG2 GLU 35 17.309 4.978 -15.478 267 HG3 GLU 35 HG3 GLU 35 18.114 3.630 -14.678 268 H CYS 36 H CYS 36 13.213 3.928 -16.329 269 HA CYS 36 HA CYS 36 12.021 1.390 -15.847 270 HB2 CYS 36 HB2 CYS 36 11.341 3.681 -14.891 271 HB3 CYS 36 HB3 CYS 36 10.494 3.922 -16.415 272 H CYS 37 H CYS 37 11.444 -0.036 -17.334 273 HA CYS 37 HA CYS 37 11.158 0.714 -20.101 274 HB2 CYS 37 HB2 CYS 37 11.309 -1.814 -18.561 275 HB3 CYS 37 HB3 CYS 37 10.402 -1.877 -20.069 276 H LYS 38 H LYS 38 9.229 -0.577 -21.243 277 HA LYS 38 HA LYS 38 6.787 0.474 -19.996 278 HB2 LYS 38 HB2 LYS 38 7.076 -0.435 -22.853 279 HB3 LYS 38 HB3 LYS 38 5.838 0.607 -22.166 280 HG2 LYS 38 HG2 LYS 38 7.919 2.138 -21.628 281 HG3 LYS 38 HG3 LYS 38 8.621 1.243 -22.978 282 HD2 LYS 38 HD2 LYS 38 7.034 2.037 -24.488 283 HD3 LYS 38 HD3 LYS 38 5.901 2.480 -23.210 284 HE2 LYS 38 HE2 LYS 38 6.988 4.433 -24.273 285 HE3 LYS 38 HE3 LYS 38 7.300 4.321 -22.540 286 HZ1 LYS 38 HZ1 LYS 38 9.462 4.279 -22.940 287 HZ2 LYS 38 HZ2 LYS 38 9.163 4.492 -24.591 288 HZ3 LYS 38 HZ3 LYS 38 9.304 2.931 -23.952 289 H ALA 39 H ALA 39 4.857 -0.773 -19.997 290 HA ALA 39 HA ALA 39 5.310 -3.557 -19.452 291 HB1 ALA 39 HB1 ALA 39 2.707 -2.037 -19.552 292 HB2 ALA 39 HB2 ALA 39 2.972 -3.625 -18.829 293 HB3 ALA 39 HB3 ALA 39 3.738 -2.199 -18.129 294 H ASP 40 H ASP 40 3.710 -5.197 -20.365 295 HA ASP 40 HA ASP 40 4.175 -5.603 -23.055 296 HB2 ASP 40 HB2 ASP 40 2.092 -6.675 -21.175 297 HB3 ASP 40 HB3 ASP 40 2.076 -7.130 -22.877 298 H ASP 41 H ASP 41 1.401 -4.055 -21.507 299 HA ASP 41 HA ASP 41 0.438 -3.254 -24.172 300 HB2 ASP 41 HB2 ASP 41 -1.010 -4.633 -22.426 301 HB3 ASP 41 HB3 ASP 41 -1.304 -3.028 -21.759 302 H GLN 42 H GLN 42 2.457 -1.748 -23.432 303 HA GLN 42 HA GLN 42 2.117 0.357 -21.680 304 HB2 GLN 42 HB2 GLN 42 3.809 1.519 -22.906 305 HB3 GLN 42 HB3 GLN 42 4.196 -0.197 -22.972 306 HG2 GLN 42 HG2 GLN 42 3.231 -0.317 -25.221 307 HG3 GLN 42 HG3 GLN 42 2.886 1.411 -25.153 308 HE21 GLN 42 HE21 GLN 42 4.306 2.627 -26.151 309 HE22 GLN 42 HE22 GLN 42 5.983 2.275 -26.370 310 H LYS 43 H LYS 43 0.696 -0.139 -24.819 311 HA LYS 43 HA LYS 43 -0.081 2.448 -25.475 312 HB2 LYS 43 HB2 LYS 43 -1.584 -0.127 -25.980 313 HB3 LYS 43 HB3 LYS 43 -1.863 1.398 -26.812 314 HG2 LYS 43 HG2 LYS 43 0.110 1.260 -28.006 315 HG3 LYS 43 HG3 LYS 43 0.849 0.147 -26.853 316 HD2 LYS 43 HD2 LYS 43 -0.255 -1.685 -27.709 317 HD3 LYS 43 HD3 LYS 43 -1.585 -0.716 -28.348 318 HE2 LYS 43 HE2 LYS 43 1.226 -0.758 -29.441 319 HE3 LYS 43 HE3 LYS 43 -0.143 -1.637 -30.122 320 HZ1 LYS 43 HZ1 LYS 43 0.579 1.115 -30.418 321 HZ2 LYS 43 HZ2 LYS 43 -1.030 0.933 -29.926 322 HZ3 LYS 43 HZ3 LYS 43 -0.486 0.176 -31.338 323 H THR 44 H THR 44 -1.379 0.235 -23.122 324 HA THR 44 HA THR 44 -3.549 2.136 -22.531 325 HB THR 44 HB THR 44 -4.431 0.119 -21.143 326 HG1 THR 44 HG1 THR 44 -3.639 -1.837 -21.692 327 HG21 THR 44 HG21 THR 44 -4.969 -0.862 -23.706 328 HG22 THR 44 HG22 THR 44 -4.708 0.871 -23.915 329 HG23 THR 44 HG23 THR 44 -5.932 0.293 -22.784 330 H TYR 45 H TYR 45 -0.965 0.199 -21.104 331 HA TYR 45 HA TYR 45 -1.377 1.506 -18.519 332 HB2 TYR 45 HB2 TYR 45 0.672 -0.618 -19.122 333 HB3 TYR 45 HB3 TYR 45 -0.021 -0.180 -17.564 334 HD1 TYR 45 HD1 TYR 45 -2.922 -0.102 -18.371 335 HD2 TYR 45 HD2 TYR 45 0.157 -2.915 -19.213 336 HE1 TYR 45 HE1 TYR 45 -4.613 -1.870 -18.623 337 HE2 TYR 45 HE2 TYR 45 -1.526 -4.690 -19.468 338 HH TYR 45 HH TYR 45 -4.910 -4.134 -18.722 339 H SER 46 H SER 46 0.171 2.765 -17.523 340 HA SER 46 HA SER 46 2.227 3.841 -19.317 341 HB2 SER 46 HB2 SER 46 0.426 5.282 -18.084 342 HB3 SER 46 HB3 SER 46 1.490 5.090 -16.690 343 HG SER 46 HG SER 46 1.908 6.469 -19.082 344 H SER 47 H SER 47 4.344 4.328 -18.467 345 HA SER 47 HA SER 47 5.112 2.811 -16.078 346 HB2 SER 47 HB2 SER 47 6.946 1.730 -17.183 347 HB3 SER 47 HB3 SER 47 5.508 1.433 -18.159 348 HG SER 47 HG SER 47 7.669 3.169 -18.659 349 H GLY 48 H GLY 48 6.840 3.644 -14.938 350 HA2 GLY 48 HA2 GLY 48 8.693 5.523 -15.859 351 HA3 GLY 48 HA3 GLY 48 7.331 6.413 -15.196 352 H CYS 49 H CYS 49 9.985 6.483 -14.187 353 HA CYS 49 HA CYS 49 9.572 5.241 -11.547 354 HB2 CYS 49 HB2 CYS 49 11.496 4.351 -13.033 355 HB3 CYS 49 HB3 CYS 49 12.297 5.871 -12.654 356 H ALA 50 H ALA 50 8.920 6.832 -10.244 357 HA ALA 50 HA ALA 50 10.480 9.334 -10.243 358 HB1 ALA 50 HB1 ALA 50 8.445 10.036 -11.118 359 HB2 ALA 50 HB2 ALA 50 7.513 8.950 -10.088 360 HB3 ALA 50 HB3 ALA 50 8.281 10.380 -9.396 361 H GLN 51 H GLN 51 10.609 10.425 -8.186 362 HA GLN 51 HA GLN 51 11.261 8.739 -6.058 363 HB2 GLN 51 HB2 GLN 51 10.528 11.664 -5.884 364 HB3 GLN 51 HB3 GLN 51 11.484 10.753 -4.722 365 HG2 GLN 51 HG2 GLN 51 13.278 10.515 -6.268 366 HG3 GLN 51 HG3 GLN 51 12.305 11.174 -7.582 367 HE21 GLN 51 HE21 GLN 51 12.911 13.136 -8.107 368 HE22 GLN 51 HE22 GLN 51 13.453 14.365 -7.022 369 H THR 52 H THR 52 10.209 8.075 -4.239 370 HA THR 52 HA THR 52 7.517 9.025 -3.681 371 HB THR 52 HB THR 52 6.554 6.760 -3.617 372 HG1 THR 52 HG1 THR 52 9.107 6.048 -4.650 373 HG21 THR 52 HG21 THR 52 7.746 7.508 -6.291 374 HG22 THR 52 HG22 THR 52 6.229 8.110 -5.621 375 HG23 THR 52 HG23 THR 52 6.392 6.407 -6.048 376 H TRP 53 H TRP 53 7.248 9.216 -1.557 377 HA TRP 53 HA TRP 53 9.199 8.699 0.324 378 HB2 TRP 53 HB2 TRP 53 7.410 10.219 0.833 379 HB3 TRP 53 HB3 TRP 53 6.206 8.944 0.665 380 HD1 TRP 53 HD1 TRP 53 5.751 7.414 2.750 381 HE1 TRP 53 HE1 TRP 53 6.542 7.478 5.199 382 HE3 TRP 53 HE3 TRP 53 9.510 10.852 2.303 383 HZ2 TRP 53 HZ2 TRP 53 8.500 8.808 6.737 384 HZ3 TRP 53 HZ3 TRP 53 10.793 11.464 4.311 385 HH2 TRP 53 HH2 TRP 53 10.296 10.463 6.481 386 H SER 54 H SER 54 10.073 6.804 0.822 387 HA SER 54 HA SER 54 8.353 4.422 0.911 388 HB2 SER 54 HB2 SER 54 10.285 4.270 -0.602 389 HB3 SER 54 HB3 SER 54 11.371 4.622 0.742 390 HG SER 54 HG SER 54 9.793 2.323 0.297 391 H ALA 55 H ALA 55 7.777 3.654 2.823 392 HA ALA 55 HA ALA 55 8.857 4.723 5.251 393 HB1 ALA 55 HB1 ALA 55 6.978 2.387 4.966 394 HB2 ALA 55 HB2 ALA 55 7.209 3.422 6.376 395 HB3 ALA 55 HB3 ALA 55 6.462 4.074 4.918 396 H MET 56 H MET 56 9.030 1.608 3.577 397 HA MET 56 HA MET 56 10.467 0.234 5.576 398 HB2 MET 56 HB2 MET 56 10.105 -0.181 2.623 399 HB3 MET 56 HB3 MET 56 11.186 -1.213 3.550 400 HG2 MET 56 HG2 MET 56 8.401 -0.814 4.517 401 HG3 MET 56 HG3 MET 56 8.687 -1.879 3.142 402 HE1 MET 56 HE1 MET 56 9.531 -4.858 4.017 403 HE2 MET 56 HE2 MET 56 10.202 -3.585 2.999 404 HE3 MET 56 HE3 MET 56 11.187 -4.309 4.272 405 H GLU 57 H GLU 57 11.561 1.916 2.638 406 HA GLU 57 HA GLU 57 14.325 1.458 3.130 407 HB2 GLU 57 HB2 GLU 57 13.101 3.634 1.428 408 HB3 GLU 57 HB3 GLU 57 14.731 2.985 1.307 409 HG2 GLU 57 HG2 GLU 57 12.263 1.333 0.850 410 HG3 GLU 57 HG3 GLU 57 13.105 2.198 -0.434 411 H GLY 58 H GLY 58 12.066 3.987 4.007 412 HA2 GLY 58 HA2 GLY 58 12.257 5.598 5.653 413 HA3 GLY 58 HA3 GLY 58 13.855 4.969 6.026 414 H GLY 59 H GLY 59 12.859 6.051 2.835 415 HA2 GLY 59 HA2 GLY 59 13.840 8.696 3.028 416 HA3 GLY 59 HA3 GLY 59 15.110 7.645 2.417 417 H PHE 60 H PHE 60 13.617 9.863 1.134 418 HA PHE 60 HA PHE 60 11.761 8.949 -0.733 419 HB2 PHE 60 HB2 PHE 60 13.673 11.262 -0.695 420 HB3 PHE 60 HB3 PHE 60 12.697 10.942 -2.124 421 HD1 PHE 60 HD1 PHE 60 12.845 12.769 0.810 422 HD2 PHE 60 HD2 PHE 60 10.117 10.496 -1.536 423 HE1 PHE 60 HE1 PHE 60 10.964 13.979 1.835 424 HE2 PHE 60 HE2 PHE 60 8.231 11.702 -0.517 425 HZ PHE 60 HZ PHE 60 8.652 13.447 1.169 426 H VAL 61 H VAL 61 11.951 7.525 -2.319 427 HA VAL 61 HA VAL 61 14.459 7.386 -3.830 428 HB VAL 61 HB VAL 61 14.177 4.856 -3.883 429 HG11 VAL 61 HG11 VAL 61 15.368 6.574 -1.898 430 HG12 VAL 61 HG12 VAL 61 14.944 5.006 -1.207 431 HG13 VAL 61 HG13 VAL 61 15.993 5.095 -2.623 432 HG21 VAL 61 HG21 VAL 61 11.829 5.158 -2.770 433 HG22 VAL 61 HG22 VAL 61 12.828 3.760 -2.375 434 HG23 VAL 61 HG23 VAL 61 12.760 5.134 -1.271 435 H ARG 62 H ARG 62 14.247 6.717 -5.970 436 HA ARG 62 HA ARG 62 11.571 7.032 -7.058 437 HB2 ARG 62 HB2 ARG 62 14.195 6.665 -8.514 438 HB3 ARG 62 HB3 ARG 62 12.668 7.179 -9.221 439 HG2 ARG 62 HG2 ARG 62 12.772 9.278 -8.225 440 HG3 ARG 62 HG3 ARG 62 13.959 8.755 -7.028 441 HD2 ARG 62 HD2 ARG 62 15.676 8.631 -8.685 442 HD3 ARG 62 HD3 ARG 62 14.515 8.892 -9.985 443 HE ARG 62 HE ARG 62 14.597 11.042 -8.086 444 HH11 ARG 62 HH11 ARG 62 16.058 9.708 -10.951 445 HH12 ARG 62 HH12 ARG 62 16.673 11.230 -11.504 446 HH21 ARG 62 HH21 ARG 62 15.404 13.052 -8.802 447 HH22 ARG 62 HH22 ARG 62 16.301 13.132 -10.280 448 H GLU 63 H GLU 63 10.316 5.294 -7.187 449 HA GLU 63 HA GLU 63 11.553 2.727 -7.941 450 HB2 GLU 63 HB2 GLU 63 9.831 1.587 -6.707 451 HB3 GLU 63 HB3 GLU 63 10.567 2.789 -5.655 452 HG2 GLU 63 HG2 GLU 63 8.657 4.314 -6.237 453 HG3 GLU 63 HG3 GLU 63 7.897 2.931 -7.021 454 H CYS 64 H CYS 64 10.772 1.644 -9.666 455 HA CYS 64 HA CYS 64 9.199 3.011 -11.571 456 HB2 CYS 64 HB2 CYS 64 10.925 1.239 -12.056 457 HB3 CYS 64 HB3 CYS 64 9.758 0.043 -11.502 458 H TYR 65 H TYR 65 7.092 2.712 -12.252 459 HA TYR 65 HA TYR 65 5.390 0.918 -10.681 460 HB2 TYR 65 HB2 TYR 65 3.684 2.748 -10.496 461 HB3 TYR 65 HB3 TYR 65 5.140 3.016 -9.544 462 HD1 TYR 65 HD1 TYR 65 3.358 4.012 -12.626 463 HD2 TYR 65 HD2 TYR 65 6.532 4.901 -9.935 464 HE1 TYR 65 HE1 TYR 65 3.648 6.206 -13.701 465 HE2 TYR 65 HE2 TYR 65 6.830 7.096 -11.002 466 HH TYR 65 HH TYR 65 4.564 8.354 -13.281 467 H ILE 66 H ILE 66 3.503 0.239 -11.727 468 HA ILE 66 HA ILE 66 3.143 1.099 -14.508 469 HB ILE 66 HB ILE 66 3.305 -1.786 -13.623 470 HG12 ILE 66 HG12 ILE 66 5.034 -0.300 -15.607 471 HG13 ILE 66 HG13 ILE 66 5.479 -0.541 -13.921 472 HG21 ILE 66 HG21 ILE 66 1.571 -1.544 -15.269 473 HG22 ILE 66 HG22 ILE 66 2.624 -0.575 -16.298 474 HG23 ILE 66 HG23 ILE 66 2.977 -2.283 -16.034 475 HD11 ILE 66 HD11 ILE 66 4.981 -2.717 -15.939 476 HD12 ILE 66 HD12 ILE 66 6.557 -2.164 -15.371 477 HD13 ILE 66 HD13 ILE 66 5.444 -2.952 -14.253 478 H CYS 67 H CYS 67 1.103 1.654 -14.840 479 HA CYS 67 HA CYS 67 -1.063 0.076 -13.735 480 HB2 CYS 67 HB2 CYS 67 -0.236 2.230 -12.258 481 HB3 CYS 67 HB3 CYS 67 -1.493 2.947 -13.262 482 H ALA 68 H ALA 68 -3.230 1.024 -14.485 483 HA ALA 68 HA ALA 68 -2.972 1.600 -17.322 484 HB1 ALA 68 HB1 ALA 68 -5.654 1.461 -16.846 485 HB2 ALA 68 HB2 ALA 68 -4.628 0.093 -17.282 486 HB3 ALA 68 HB3 ALA 68 -5.005 0.410 -15.589 487 H VAL 69 H VAL 69 -3.862 3.379 -18.362 488 HA VAL 69 HA VAL 69 -3.788 5.827 -16.958 489 HB VAL 69 HB VAL 69 -5.069 5.378 -19.653 490 HG11 VAL 69 HG11 VAL 69 -4.655 7.658 -20.065 491 HG12 VAL 69 HG12 VAL 69 -5.319 7.595 -18.432 492 HG13 VAL 69 HG13 VAL 69 -3.583 7.799 -18.672 493 HG21 VAL 69 HG21 VAL 69 -2.333 4.993 -18.843 494 HG22 VAL 69 HG22 VAL 69 -3.088 4.706 -20.410 495 HG23 VAL 69 HG23 VAL 69 -2.457 6.304 -20.016 496 H GLU 70 H GLU 70 -6.495 3.931 -18.266 497 HA GLU 70 HA GLU 70 -8.466 5.761 -17.252 498 HB2 GLU 70 HB2 GLU 70 -9.004 2.940 -18.151 499 HB3 GLU 70 HB3 GLU 70 -10.083 4.327 -18.203 500 HG2 GLU 70 HG2 GLU 70 -7.616 3.947 -19.886 501 HG3 GLU 70 HG3 GLU 70 -9.282 3.731 -20.421 502 H SER 71 H SER 71 -7.045 2.719 -16.230 503 HA SER 71 HA SER 71 -8.796 2.655 -13.881 504 HB2 SER 71 HB2 SER 71 -8.693 0.540 -14.996 505 HB3 SER 71 HB3 SER 71 -6.933 0.600 -15.082 506 HG SER 71 HG SER 71 -8.572 -0.171 -13.015 507 H SER 72 H SER 72 -7.735 4.496 -12.913 508 HA SER 72 HA SER 72 -5.021 4.672 -12.317 509 HB2 SER 72 HB2 SER 72 -6.424 6.590 -11.992 510 HB3 SER 72 HB3 SER 72 -7.433 5.729 -10.831 511 HG SER 72 HG SER 72 -6.128 6.624 -9.438 512 H MET 73 H MET 73 -7.605 2.945 -10.683 513 HA MET 73 HA MET 73 -5.699 2.010 -8.652 514 HB2 MET 73 HB2 MET 73 -8.699 2.145 -8.744 515 HB3 MET 73 HB3 MET 73 -7.880 1.083 -7.605 516 HG2 MET 73 HG2 MET 73 -6.703 3.006 -6.662 517 HG3 MET 73 HG3 MET 73 -7.534 4.066 -7.799 518 HE1 MET 73 HE1 MET 73 -10.958 4.607 -6.396 519 HE2 MET 73 HE2 MET 73 -9.552 5.352 -7.158 520 HE3 MET 73 HE3 MET 73 -10.336 3.965 -7.917 521 H CYS 74 H CYS 74 -5.275 0.940 -11.119 522 HA CYS 74 HA CYS 74 -6.646 -1.336 -11.868 523 HB2 CYS 74 HB2 CYS 74 -4.532 -2.092 -12.898 524 HB3 CYS 74 HB3 CYS 74 -4.853 -0.390 -13.220 Start of MODEL 12 1 H1 SER 1 H SER 1 -0.173 2.425 -2.051 2 HA SER 1 HA SER 1 1.506 1.633 -3.468 3 HB2 SER 1 HB2 SER 1 2.962 1.476 -0.830 4 HB3 SER 1 HB3 SER 1 3.595 1.979 -2.398 5 HG SER 1 HG SER 1 2.475 3.871 -2.243 6 H ASN 2 H ASN 2 -0.097 -0.544 -2.993 7 HA ASN 2 HA ASN 2 1.444 -2.750 -1.980 8 HB2 ASN 2 HB2 ASN 2 -1.167 -2.420 -2.090 9 HB3 ASN 2 HB3 ASN 2 -0.982 -3.128 -3.693 10 HD21 ASN 2 HD21 ASN 2 -2.304 -4.848 -2.849 11 HD22 ASN 2 HD22 ASN 2 -1.575 -6.108 -1.920 12 H ARG 3 H ARG 3 1.771 -4.729 -3.349 13 HA ARG 3 HA ARG 3 3.541 -4.253 -5.411 14 HB2 ARG 3 HB2 ARG 3 3.299 -6.401 -4.178 15 HB3 ARG 3 HB3 ARG 3 1.828 -6.721 -5.087 16 HG2 ARG 3 HG2 ARG 3 2.945 -7.371 -6.914 17 HG3 ARG 3 HG3 ARG 3 4.165 -6.108 -6.740 18 HD2 ARG 3 HD2 ARG 3 4.978 -8.489 -6.486 19 HD3 ARG 3 HD3 ARG 3 5.401 -7.379 -5.183 20 HE ARG 3 HE ARG 3 4.201 -8.693 -3.760 21 HH11 ARG 3 HH11 ARG 3 3.121 -9.311 -7.012 22 HH12 ARG 3 HH12 ARG 3 2.055 -10.597 -6.553 23 HH21 ARG 3 HH21 ARG 3 2.802 -10.386 -3.143 24 HH22 ARG 3 HH22 ARG 3 1.874 -11.207 -4.352 25 H TRP 4 H TRP 4 0.059 -4.776 -5.560 26 HA TRP 4 HA TRP 4 -0.169 -5.023 -8.353 27 HB2 TRP 4 HB2 TRP 4 -2.240 -3.841 -6.496 28 HB3 TRP 4 HB3 TRP 4 -2.520 -4.629 -8.047 29 HD1 TRP 4 HD1 TRP 4 -3.077 -5.365 -4.629 30 HE1 TRP 4 HE1 TRP 4 -2.993 -7.885 -4.117 31 HE3 TRP 4 HE3 TRP 4 -0.720 -6.975 -8.869 32 HZ2 TRP 4 HZ2 TRP 4 -2.052 -10.245 -5.348 33 HZ3 TRP 4 HZ3 TRP 4 -0.263 -9.379 -9.125 34 HH2 TRP 4 HH2 TRP 4 -0.917 -10.979 -7.400 35 H ASN 5 H ASN 5 -0.030 -2.225 -6.234 36 HA ASN 5 HA ASN 5 -0.893 -0.248 -7.995 37 HB2 ASN 5 HB2 ASN 5 1.244 -0.018 -5.864 38 HB3 ASN 5 HB3 ASN 5 0.366 1.324 -6.593 39 HD21 ASN 5 HD21 ASN 5 -1.071 2.109 -5.249 40 HD22 ASN 5 HD22 ASN 5 -2.074 1.198 -4.178 41 H LEU 6 H LEU 6 2.196 -1.875 -7.731 42 HA LEU 6 HA LEU 6 3.435 -0.104 -9.677 43 HB2 LEU 6 HB2 LEU 6 4.509 -2.568 -8.313 44 HB3 LEU 6 HB3 LEU 6 5.438 -1.461 -9.322 45 HG LEU 6 HG LEU 6 6.028 -0.868 -7.154 46 HD11 LEU 6 HD11 LEU 6 5.378 1.342 -6.969 47 HD12 LEU 6 HD12 LEU 6 3.726 1.010 -7.487 48 HD13 LEU 6 HD13 LEU 6 5.039 0.994 -8.664 49 HD21 LEU 6 HD21 LEU 6 3.879 -2.206 -6.313 50 HD22 LEU 6 HD22 LEU 6 3.281 -0.562 -6.096 51 HD23 LEU 6 HD23 LEU 6 4.760 -1.076 -5.285 52 H GLY 7 H GLY 7 1.196 -2.265 -10.090 53 HA2 GLY 7 HA2 GLY 7 0.579 -3.737 -11.743 54 HA3 GLY 7 HA3 GLY 7 1.621 -2.765 -12.771 55 H TYR 8 H TYR 8 2.784 -4.585 -10.012 56 HA TYR 8 HA TYR 8 4.850 -5.820 -11.438 57 HB2 TYR 8 HB2 TYR 8 5.070 -5.620 -9.076 58 HB3 TYR 8 HB3 TYR 8 3.562 -6.482 -8.790 59 HD1 TYR 8 HD1 TYR 8 7.117 -6.809 -9.541 60 HD2 TYR 8 HD2 TYR 8 3.457 -8.919 -9.025 61 HE1 TYR 8 HE1 TYR 8 8.367 -8.916 -9.332 62 HE2 TYR 8 HE2 TYR 8 4.699 -11.031 -8.814 63 HH TYR 8 HH TYR 8 8.124 -11.220 -9.441 64 H GLY 9 H GLY 9 1.707 -7.115 -10.383 65 HA2 GLY 9 HA2 GLY 9 1.990 -9.723 -11.296 66 HA3 GLY 9 HA3 GLY 9 0.459 -8.871 -11.176 67 H ILE 10 H ILE 10 0.986 -6.840 -13.078 68 HA ILE 10 HA ILE 10 0.094 -8.011 -15.419 69 HB ILE 10 HB ILE 10 1.673 -5.447 -15.187 70 HG12 ILE 10 HG12 ILE 10 -1.320 -5.896 -15.124 71 HG13 ILE 10 HG13 ILE 10 -0.324 -5.547 -13.715 72 HG21 ILE 10 HG21 ILE 10 0.626 -4.804 -17.266 73 HG22 ILE 10 HG22 ILE 10 1.484 -6.330 -17.484 74 HG23 ILE 10 HG23 ILE 10 -0.272 -6.322 -17.318 75 HD11 ILE 10 HD11 ILE 10 -1.615 -3.721 -15.362 76 HD12 ILE 10 HD12 ILE 10 -0.428 -3.371 -14.104 77 HD13 ILE 10 HD13 ILE 10 0.093 -3.583 -15.776 78 HA PRO 11 HA PRO 11 3.700 -9.980 -17.057 79 HB2 PRO 11 HB2 PRO 11 2.746 -10.427 -19.560 80 HB3 PRO 11 HB3 PRO 11 2.241 -11.374 -18.155 81 HG2 PRO 11 HG2 PRO 11 0.854 -9.083 -19.494 82 HG3 PRO 11 HG3 PRO 11 0.172 -10.606 -18.892 83 HD2 PRO 11 HD2 PRO 11 -0.004 -8.283 -17.510 84 HD3 PRO 11 HD3 PRO 11 0.117 -9.864 -16.710 85 H HIS 12 H HIS 12 5.497 -8.949 -17.637 86 HA HIS 12 HA HIS 12 5.317 -6.841 -19.689 87 HB2 HIS 12 HB2 HIS 12 7.446 -6.942 -17.559 88 HB3 HIS 12 HB3 HIS 12 6.990 -5.586 -18.587 89 HD1 HIS 12 HD1 HIS 12 6.844 -6.347 -15.243 90 HD2 HIS 12 HD2 HIS 12 3.917 -5.167 -17.947 91 HE1 HIS 12 HE1 HIS 12 4.990 -5.379 -13.847 92 H LYS 13 H LYS 13 7.295 -6.530 -20.970 93 HA LYS 13 HA LYS 13 8.624 -9.111 -21.462 94 HB2 LYS 13 HB2 LYS 13 7.177 -7.895 -23.258 95 HB3 LYS 13 HB3 LYS 13 8.578 -6.846 -23.433 96 HG2 LYS 13 HG2 LYS 13 9.965 -8.796 -23.958 97 HG3 LYS 13 HG3 LYS 13 8.545 -9.836 -23.805 98 HD2 LYS 13 HD2 LYS 13 8.616 -9.492 -26.084 99 HD3 LYS 13 HD3 LYS 13 7.521 -8.206 -25.573 100 HE2 LYS 13 HE2 LYS 13 9.294 -6.588 -25.660 101 HE3 LYS 13 HE3 LYS 13 10.487 -7.847 -25.968 102 HZ1 LYS 13 HZ1 LYS 13 9.204 -8.331 -28.054 103 HZ2 LYS 13 HZ2 LYS 13 10.017 -6.847 -28.032 104 HZ3 LYS 13 HZ3 LYS 13 8.344 -6.899 -27.780 105 H GLN 14 H GLN 14 10.585 -9.193 -20.589 106 HA GLN 14 HA GLN 14 12.103 -6.903 -19.887 107 HB2 GLN 14 HB2 GLN 14 12.380 -8.940 -18.635 108 HB3 GLN 14 HB3 GLN 14 12.848 -9.823 -20.082 109 HG2 GLN 14 HG2 GLN 14 14.964 -9.021 -20.058 110 HG3 GLN 14 HG3 GLN 14 14.490 -7.475 -19.356 111 HE21 GLN 14 HE21 GLN 14 16.077 -7.500 -17.797 112 HE22 GLN 14 HE22 GLN 14 16.053 -8.585 -16.453 113 H VAL 15 H VAL 15 13.792 -5.907 -20.881 114 HA VAL 15 HA VAL 15 14.867 -7.004 -23.357 115 HB VAL 15 HB VAL 15 14.563 -4.808 -24.527 116 HG11 VAL 15 HG11 VAL 15 13.066 -6.918 -24.706 117 HG12 VAL 15 HG12 VAL 15 11.869 -5.927 -23.867 118 HG13 VAL 15 HG13 VAL 15 12.515 -5.405 -25.425 119 HG21 VAL 15 HG21 VAL 15 12.768 -4.293 -22.166 120 HG22 VAL 15 HG22 VAL 15 14.136 -3.326 -22.716 121 HG23 VAL 15 HG23 VAL 15 12.663 -3.395 -23.681 122 H LYS 16 H LYS 16 16.781 -5.853 -24.106 123 HA LYS 16 HA LYS 16 18.322 -4.840 -21.850 124 HB2 LYS 16 HB2 LYS 16 19.092 -5.716 -24.632 125 HB3 LYS 16 HB3 LYS 16 20.238 -5.007 -23.503 126 HG2 LYS 16 HG2 LYS 16 20.240 -6.845 -22.134 127 HG3 LYS 16 HG3 LYS 16 18.628 -7.358 -22.639 128 HD2 LYS 16 HD2 LYS 16 20.183 -8.907 -23.565 129 HD3 LYS 16 HD3 LYS 16 19.609 -7.891 -24.888 130 HE2 LYS 16 HE2 LYS 16 21.616 -6.725 -25.027 131 HE3 LYS 16 HE3 LYS 16 22.107 -7.185 -23.397 132 HZ1 LYS 16 HZ1 LYS 16 21.857 -9.129 -25.620 133 HZ2 LYS 16 HZ2 LYS 16 22.581 -9.373 -24.113 134 HZ3 LYS 16 HZ3 LYS 16 23.306 -8.341 -25.240 135 H LEU 17 H LEU 17 19.084 -2.800 -21.660 136 HA LEU 17 HA LEU 17 18.032 -0.820 -23.520 137 HB2 LEU 17 HB2 LEU 17 19.377 -0.590 -20.837 138 HB3 LEU 17 HB3 LEU 17 18.911 0.801 -21.812 139 HG LEU 17 HG LEU 17 16.844 -1.220 -21.061 140 HD11 LEU 17 HD11 LEU 17 17.650 -0.892 -18.919 141 HD12 LEU 17 HD12 LEU 17 16.434 0.377 -19.062 142 HD13 LEU 17 HD13 LEU 17 18.142 0.770 -19.245 143 HD21 LEU 17 HD21 LEU 17 16.902 1.253 -22.406 144 HD22 LEU 17 HD22 LEU 17 16.091 1.533 -20.865 145 HD23 LEU 17 HD23 LEU 17 15.492 0.290 -21.965 146 HA PRO 18 HA PRO 18 21.804 0.030 -25.596 147 HB2 PRO 18 HB2 PRO 18 21.626 2.712 -25.967 148 HB3 PRO 18 HB3 PRO 18 20.635 1.553 -26.859 149 HG2 PRO 18 HG2 PRO 18 19.929 3.197 -24.459 150 HG3 PRO 18 HG3 PRO 18 18.967 2.867 -25.912 151 HD2 PRO 18 HD2 PRO 18 18.578 1.552 -23.577 152 HD3 PRO 18 HD3 PRO 18 18.311 0.790 -25.158 153 H ASN 19 H ASN 19 21.155 1.350 -22.517 154 HA ASN 19 HA ASN 19 23.604 2.818 -22.221 155 HB2 ASN 19 HB2 ASN 19 22.871 3.341 -20.072 156 HB3 ASN 19 HB3 ASN 19 21.355 3.122 -20.943 157 HD21 ASN 19 HD21 ASN 19 19.963 1.600 -20.284 158 HD22 ASN 19 HD22 ASN 19 20.254 0.496 -18.988 159 H GLY 20 H GLY 20 22.697 -0.466 -22.008 160 HA2 GLY 20 HA2 GLY 20 24.512 -2.093 -21.979 161 HA3 GLY 20 HA3 GLY 20 25.310 -1.086 -20.781 162 H GLN 21 H GLN 21 22.631 -0.665 -19.447 163 HA GLN 21 HA GLN 21 22.710 -3.139 -17.883 164 HB2 GLN 21 HB2 GLN 21 21.409 -0.493 -17.221 165 HB3 GLN 21 HB3 GLN 21 21.571 -1.867 -16.137 166 HG2 GLN 21 HG2 GLN 21 23.892 -0.366 -17.326 167 HG3 GLN 21 HG3 GLN 21 23.205 -0.046 -15.733 168 HE21 GLN 21 HE21 GLN 21 25.444 -1.828 -17.481 169 HE22 GLN 21 HE22 GLN 21 25.886 -2.962 -16.255 170 H LEU 22 H LEU 22 20.565 -3.841 -16.938 171 HA LEU 22 HA LEU 22 18.650 -4.062 -19.124 172 HB2 LEU 22 HB2 LEU 22 18.985 -5.522 -16.517 173 HB3 LEU 22 HB3 LEU 22 17.584 -5.754 -17.562 174 HG LEU 22 HG LEU 22 20.456 -6.377 -18.246 175 HD11 LEU 22 HD11 LEU 22 19.839 -8.657 -18.134 176 HD12 LEU 22 HD12 LEU 22 18.128 -8.260 -17.974 177 HD13 LEU 22 HD13 LEU 22 19.243 -7.907 -16.653 178 HD21 LEU 22 HD21 LEU 22 19.361 -5.620 -20.232 179 HD22 LEU 22 HD22 LEU 22 17.932 -6.591 -19.878 180 HD23 LEU 22 HD23 LEU 22 19.453 -7.380 -20.298 181 H CYS 23 H CYS 23 16.350 -3.841 -18.728 182 HA CYS 23 HA CYS 23 15.603 -1.409 -17.667 183 HB2 CYS 23 HB2 CYS 23 13.842 -3.858 -17.903 184 HB3 CYS 23 HB3 CYS 23 13.297 -2.185 -17.829 185 H LYS 24 H LYS 24 14.144 -0.955 -15.837 186 HA LYS 24 HA LYS 24 15.121 -2.301 -13.438 187 HB2 LYS 24 HB2 LYS 24 13.798 0.328 -13.991 188 HB3 LYS 24 HB3 LYS 24 13.732 -0.346 -12.368 189 HG2 LYS 24 HG2 LYS 24 16.268 0.170 -13.907 190 HG3 LYS 24 HG3 LYS 24 15.581 1.253 -12.693 191 HD2 LYS 24 HD2 LYS 24 16.361 0.013 -10.998 192 HD3 LYS 24 HD3 LYS 24 15.850 -1.496 -11.757 193 HE2 LYS 24 HE2 LYS 24 17.868 -1.851 -12.716 194 HE3 LYS 24 HE3 LYS 24 18.154 -0.135 -12.998 195 HZ1 LYS 24 HZ1 LYS 24 18.202 -1.140 -10.242 196 HZ2 LYS 24 HZ2 LYS 24 19.050 0.152 -10.930 197 HZ3 LYS 24 HZ3 LYS 24 19.538 -1.439 -11.236 198 H GLU 25 H GLU 25 13.748 -3.124 -11.826 199 HA GLU 25 HA GLU 25 11.235 -4.161 -12.865 200 HB2 GLU 25 HB2 GLU 25 12.432 -4.752 -10.165 201 HB3 GLU 25 HB3 GLU 25 11.288 -5.721 -11.083 202 HG2 GLU 25 HG2 GLU 25 13.516 -5.475 -12.735 203 HG3 GLU 25 HG3 GLU 25 14.164 -5.750 -11.119 204 HA PRO 26 HA PRO 26 8.577 -1.429 -10.689 205 HB2 PRO 26 HB2 PRO 26 6.488 -3.069 -10.130 206 HB3 PRO 26 HB3 PRO 26 6.831 -2.472 -11.757 207 HG2 PRO 26 HG2 PRO 26 7.493 -5.122 -10.533 208 HG3 PRO 26 HG3 PRO 26 6.863 -4.763 -12.151 209 HD2 PRO 26 HD2 PRO 26 9.477 -5.299 -11.692 210 HD3 PRO 26 HD3 PRO 26 8.941 -4.192 -12.971 211 H GLY 27 H GLY 27 9.101 -0.709 -8.715 212 HA2 GLY 27 HA2 GLY 27 8.461 -0.870 -6.355 213 HA3 GLY 27 HA3 GLY 27 8.818 -2.588 -6.453 214 H ASP 28 H ASP 28 11.259 -2.187 -8.007 215 HA ASP 28 HA ASP 28 13.029 -1.679 -5.782 216 HB2 ASP 28 HB2 ASP 28 13.343 -2.763 -8.554 217 HB3 ASP 28 HB3 ASP 28 14.768 -2.176 -7.701 218 H SER 29 H SER 29 14.940 -0.286 -6.007 219 HA SER 29 HA SER 29 14.178 2.337 -6.832 220 HB2 SER 29 HB2 SER 29 16.098 3.078 -5.753 221 HB3 SER 29 HB3 SER 29 15.777 1.569 -4.898 222 HG SER 29 HG SER 29 17.937 2.259 -6.308 223 H CYS 30 H CYS 30 15.155 3.657 -8.410 224 HA CYS 30 HA CYS 30 16.607 2.204 -10.521 225 HB2 CYS 30 HB2 CYS 30 14.736 4.461 -11.161 226 HB3 CYS 30 HB3 CYS 30 15.316 3.172 -12.210 227 H SER 31 H SER 31 17.532 3.922 -12.150 228 HA SER 31 HA SER 31 18.997 5.878 -10.516 229 HB2 SER 31 HB2 SER 31 19.811 4.000 -12.541 230 HB3 SER 31 HB3 SER 31 20.218 5.637 -13.055 231 HG SER 31 HG SER 31 21.894 4.787 -11.812 232 H LYS 32 H LYS 32 17.023 5.487 -13.375 233 HA LYS 32 HA LYS 32 16.469 8.315 -13.420 234 HB2 LYS 32 HB2 LYS 32 18.062 6.980 -15.584 235 HB3 LYS 32 HB3 LYS 32 17.003 8.329 -15.973 236 HG2 LYS 32 HG2 LYS 32 18.223 9.644 -14.201 237 HG3 LYS 32 HG3 LYS 32 19.390 8.320 -14.147 238 HD2 LYS 32 HD2 LYS 32 20.407 9.671 -15.684 239 HD3 LYS 32 HD3 LYS 32 19.406 8.697 -16.763 240 HE2 LYS 32 HE2 LYS 32 17.863 10.411 -17.073 241 HE3 LYS 32 HE3 LYS 32 18.365 11.259 -15.613 242 HZ1 LYS 32 HZ1 LYS 32 19.170 11.807 -18.170 243 HZ2 LYS 32 HZ2 LYS 32 20.501 11.018 -17.487 244 HZ3 LYS 32 HZ3 LYS 32 19.870 12.404 -16.751 245 H ARG 33 H ARG 33 14.619 8.846 -14.657 246 HA ARG 33 HA ARG 33 12.577 6.976 -14.670 247 HB2 ARG 33 HB2 ARG 33 12.428 9.527 -14.821 248 HB3 ARG 33 HB3 ARG 33 12.659 9.324 -16.553 249 HG2 ARG 33 HG2 ARG 33 10.657 7.696 -16.387 250 HG3 ARG 33 HG3 ARG 33 10.348 8.506 -14.850 251 HD2 ARG 33 HD2 ARG 33 10.881 10.466 -16.860 252 HD3 ARG 33 HD3 ARG 33 9.642 9.358 -17.447 253 HE ARG 33 HE ARG 33 8.190 10.190 -15.877 254 HH11 ARG 33 HH11 ARG 33 11.424 11.256 -15.152 255 HH12 ARG 33 HH12 ARG 33 10.922 12.372 -13.926 256 HH21 ARG 33 HH21 ARG 33 7.516 11.656 -14.264 257 HH22 ARG 33 HH22 ARG 33 8.698 12.598 -13.422 258 H ASP 34 H ASP 34 14.926 7.737 -17.141 259 HA ASP 34 HA ASP 34 13.646 6.446 -19.306 260 HB2 ASP 34 HB2 ASP 34 16.565 7.042 -18.793 261 HB3 ASP 34 HB3 ASP 34 15.943 6.413 -20.317 262 H GLU 35 H GLU 35 15.487 5.280 -16.616 263 HA GLU 35 HA GLU 35 16.309 2.800 -17.677 264 HB2 GLU 35 HB2 GLU 35 15.716 3.561 -14.813 265 HB3 GLU 35 HB3 GLU 35 16.572 2.111 -15.319 266 HG2 GLU 35 HG2 GLU 35 18.064 3.966 -16.552 267 HG3 GLU 35 HG3 GLU 35 17.494 4.905 -15.173 268 H CYS 36 H CYS 36 13.308 3.905 -16.275 269 HA CYS 36 HA CYS 36 12.157 1.352 -15.822 270 HB2 CYS 36 HB2 CYS 36 11.462 3.872 -15.126 271 HB3 CYS 36 HB3 CYS 36 10.350 3.606 -16.466 272 H CYS 37 H CYS 37 11.399 -0.074 -17.233 273 HA CYS 37 HA CYS 37 11.258 0.598 -20.040 274 HB2 CYS 37 HB2 CYS 37 11.426 -1.837 -18.434 275 HB3 CYS 37 HB3 CYS 37 10.297 -1.986 -19.777 276 H LYS 38 H LYS 38 9.288 -0.673 -21.173 277 HA LYS 38 HA LYS 38 6.860 0.486 -19.978 278 HB2 LYS 38 HB2 LYS 38 7.209 -0.295 -22.869 279 HB3 LYS 38 HB3 LYS 38 5.979 0.750 -22.169 280 HG2 LYS 38 HG2 LYS 38 8.078 2.194 -21.493 281 HG3 LYS 38 HG3 LYS 38 8.808 1.340 -22.854 282 HD2 LYS 38 HD2 LYS 38 7.922 3.274 -23.818 283 HD3 LYS 38 HD3 LYS 38 6.708 2.037 -24.160 284 HE2 LYS 38 HE2 LYS 38 5.248 2.856 -22.529 285 HE3 LYS 38 HE3 LYS 38 6.521 3.770 -21.718 286 HZ1 LYS 38 HZ1 LYS 38 6.424 4.781 -24.267 287 HZ2 LYS 38 HZ2 LYS 38 5.820 5.514 -22.868 288 HZ3 LYS 38 HZ3 LYS 38 4.800 4.575 -23.837 289 H ALA 39 H ALA 39 4.964 -0.710 -19.874 290 HA ALA 39 HA ALA 39 5.291 -3.524 -19.543 291 HB1 ALA 39 HB1 ALA 39 2.966 -3.546 -18.908 292 HB2 ALA 39 HB2 ALA 39 3.758 -2.154 -18.169 293 HB3 ALA 39 HB3 ALA 39 2.728 -1.934 -19.585 294 H ASP 40 H ASP 40 3.766 -5.107 -20.566 295 HA ASP 40 HA ASP 40 4.179 -5.310 -23.288 296 HB2 ASP 40 HB2 ASP 40 2.155 -6.564 -21.454 297 HB3 ASP 40 HB3 ASP 40 2.139 -6.911 -23.180 298 H ASP 41 H ASP 41 1.372 -3.993 -21.578 299 HA ASP 41 HA ASP 41 0.314 -3.047 -24.157 300 HB2 ASP 41 HB2 ASP 41 -1.032 -4.528 -22.407 301 HB3 ASP 41 HB3 ASP 41 -1.334 -2.955 -21.674 302 H GLN 42 H GLN 42 2.345 -1.546 -23.415 303 HA GLN 42 HA GLN 42 2.036 0.470 -21.558 304 HB2 GLN 42 HB2 GLN 42 3.517 1.829 -23.063 305 HB3 GLN 42 HB3 GLN 42 4.125 0.222 -22.688 306 HG2 GLN 42 HG2 GLN 42 3.838 -0.541 -24.819 307 HG3 GLN 42 HG3 GLN 42 2.524 0.583 -25.163 308 HE21 GLN 42 HE21 GLN 42 5.254 -0.128 -26.389 309 HE22 GLN 42 HE22 GLN 42 5.953 1.418 -26.716 310 H LYS 43 H LYS 43 0.517 0.098 -24.669 311 HA LYS 43 HA LYS 43 -0.323 2.705 -25.165 312 HB2 LYS 43 HB2 LYS 43 -1.816 0.144 -25.764 313 HB3 LYS 43 HB3 LYS 43 -2.102 1.705 -26.525 314 HG2 LYS 43 HG2 LYS 43 -0.224 1.578 -27.815 315 HG3 LYS 43 HG3 LYS 43 0.633 0.552 -26.662 316 HD2 LYS 43 HD2 LYS 43 -0.472 -1.376 -27.375 317 HD3 LYS 43 HD3 LYS 43 -1.776 -0.459 -28.134 318 HE2 LYS 43 HE2 LYS 43 -0.503 0.062 -29.991 319 HE3 LYS 43 HE3 LYS 43 1.022 -0.161 -29.137 320 HZ1 LYS 43 HZ1 LYS 43 -0.707 -2.147 -30.406 321 HZ2 LYS 43 HZ2 LYS 43 0.126 -2.619 -29.011 322 HZ3 LYS 43 HZ3 LYS 43 0.982 -2.058 -30.357 323 H THR 44 H THR 44 -1.541 0.321 -22.929 324 HA THR 44 HA THR 44 -3.737 2.131 -22.182 325 HB THR 44 HB THR 44 -4.583 0.092 -20.893 326 HG1 THR 44 HG1 THR 44 -3.767 -1.917 -21.836 327 HG21 THR 44 HG21 THR 44 -5.153 0.974 -23.359 328 HG22 THR 44 HG22 THR 44 -5.914 -0.452 -22.655 329 HG23 THR 44 HG23 THR 44 -4.557 -0.635 -23.764 330 H TYR 45 H TYR 45 -1.026 0.266 -20.910 331 HA TYR 45 HA TYR 45 -1.411 1.467 -18.268 332 HB2 TYR 45 HB2 TYR 45 0.687 -0.569 -19.002 333 HB3 TYR 45 HB3 TYR 45 0.036 -0.199 -17.409 334 HD1 TYR 45 HD1 TYR 45 -2.893 -0.193 -18.114 335 HD2 TYR 45 HD2 TYR 45 0.242 -2.879 -19.142 336 HE1 TYR 45 HE1 TYR 45 -4.536 -2.006 -18.361 337 HE2 TYR 45 HE2 TYR 45 -1.392 -4.700 -19.395 338 HH TYR 45 HH TYR 45 -4.257 -4.781 -18.163 339 H SER 46 H SER 46 0.017 2.864 -17.351 340 HA SER 46 HA SER 46 2.072 3.961 -19.135 341 HB2 SER 46 HB2 SER 46 0.150 5.324 -17.906 342 HB3 SER 46 HB3 SER 46 1.314 5.310 -16.581 343 HG SER 46 HG SER 46 1.901 6.169 -19.221 344 H SER 47 H SER 47 4.152 3.608 -18.750 345 HA SER 47 HA SER 47 4.919 2.496 -16.138 346 HB2 SER 47 HB2 SER 47 6.720 1.389 -17.211 347 HB3 SER 47 HB3 SER 47 5.346 1.192 -18.300 348 HG SER 47 HG SER 47 6.269 3.247 -19.273 349 H GLY 48 H GLY 48 6.656 3.325 -14.991 350 HA2 GLY 48 HA2 GLY 48 8.463 5.262 -15.889 351 HA3 GLY 48 HA3 GLY 48 7.093 6.102 -15.178 352 H CYS 49 H CYS 49 9.764 6.198 -14.211 353 HA CYS 49 HA CYS 49 9.418 4.873 -11.602 354 HB2 CYS 49 HB2 CYS 49 11.333 4.063 -13.146 355 HB3 CYS 49 HB3 CYS 49 12.113 5.586 -12.731 356 H ALA 50 H ALA 50 8.750 6.420 -10.252 357 HA ALA 50 HA ALA 50 10.251 8.958 -10.221 358 HB1 ALA 50 HB1 ALA 50 7.854 9.091 -11.059 359 HB2 ALA 50 HB2 ALA 50 7.369 8.727 -9.403 360 HB3 ALA 50 HB3 ALA 50 8.301 10.184 -9.750 361 H GLN 51 H GLN 51 10.355 10.020 -8.122 362 HA GLN 51 HA GLN 51 11.198 8.313 -6.079 363 HB2 GLN 51 HB2 GLN 51 10.272 11.174 -5.781 364 HB3 GLN 51 HB3 GLN 51 11.324 10.296 -4.678 365 HG2 GLN 51 HG2 GLN 51 13.024 10.141 -6.424 366 HG3 GLN 51 HG3 GLN 51 11.972 11.027 -7.525 367 HE21 GLN 51 HE21 GLN 51 11.333 13.207 -6.845 368 HE22 GLN 51 HE22 GLN 51 12.470 14.161 -5.963 369 H THR 52 H THR 52 10.291 7.689 -4.122 370 HA THR 52 HA THR 52 7.508 8.327 -3.578 371 HB THR 52 HB THR 52 6.929 5.897 -3.296 372 HG1 THR 52 HG1 THR 52 9.372 5.410 -3.524 373 HG21 THR 52 HG21 THR 52 6.358 7.346 -5.319 374 HG22 THR 52 HG22 THR 52 6.295 5.597 -5.547 375 HG23 THR 52 HG23 THR 52 7.677 6.514 -6.144 376 H TRP 53 H TRP 53 7.263 8.646 -1.468 377 HA TRP 53 HA TRP 53 9.279 8.461 0.405 378 HB2 TRP 53 HB2 TRP 53 7.298 9.805 0.797 379 HB3 TRP 53 HB3 TRP 53 6.287 8.363 0.837 380 HD1 TRP 53 HD1 TRP 53 6.317 6.900 3.063 381 HE1 TRP 53 HE1 TRP 53 7.128 7.402 5.453 382 HE3 TRP 53 HE3 TRP 53 9.111 11.074 2.112 383 HZ2 TRP 53 HZ2 TRP 53 8.738 9.315 6.763 384 HZ3 TRP 53 HZ3 TRP 53 10.255 12.181 3.989 385 HH2 TRP 53 HH2 TRP 53 10.070 11.319 6.265 386 H SER 54 H SER 54 10.350 6.718 1.045 387 HA SER 54 HA SER 54 8.855 4.205 1.414 388 HB2 SER 54 HB2 SER 54 10.634 4.134 -0.324 389 HB3 SER 54 HB3 SER 54 11.822 4.543 0.913 390 HG SER 54 HG SER 54 10.534 2.154 0.412 391 H ALA 55 H ALA 55 8.505 3.672 3.456 392 HA ALA 55 HA ALA 55 9.778 4.976 5.638 393 HB1 ALA 55 HB1 ALA 55 7.923 2.613 5.482 394 HB2 ALA 55 HB2 ALA 55 8.536 3.255 7.006 395 HB3 ALA 55 HB3 ALA 55 7.544 4.269 5.959 396 H MET 56 H MET 56 10.199 1.854 4.063 397 HA MET 56 HA MET 56 11.937 0.737 5.999 398 HB2 MET 56 HB2 MET 56 11.334 0.127 3.124 399 HB3 MET 56 HB3 MET 56 12.642 -0.706 3.950 400 HG2 MET 56 HG2 MET 56 9.936 -0.627 5.192 401 HG3 MET 56 HG3 MET 56 10.256 -1.742 3.866 402 HE1 MET 56 HE1 MET 56 10.310 -3.778 7.328 403 HE2 MET 56 HE2 MET 56 9.325 -2.388 6.869 404 HE3 MET 56 HE3 MET 56 9.540 -3.729 5.742 405 H GLU 57 H GLU 57 12.584 2.295 2.860 406 HA GLU 57 HA GLU 57 15.410 2.219 3.159 407 HB2 GLU 57 HB2 GLU 57 13.810 4.079 1.396 408 HB3 GLU 57 HB3 GLU 57 15.490 3.604 1.190 409 HG2 GLU 57 HG2 GLU 57 13.183 1.682 1.059 410 HG3 GLU 57 HG3 GLU 57 13.877 2.485 -0.347 411 H GLY 58 H GLY 58 12.919 4.531 4.014 412 HA2 GLY 58 HA2 GLY 58 13.030 6.286 5.516 413 HA3 GLY 58 HA3 GLY 58 14.724 5.901 5.781 414 H GLY 59 H GLY 59 13.328 6.557 2.625 415 HA2 GLY 59 HA2 GLY 59 13.911 9.309 2.499 416 HA3 GLY 59 HA3 GLY 59 15.302 8.411 1.910 417 H PHE 60 H PHE 60 13.445 10.230 0.508 418 HA PHE 60 HA PHE 60 11.650 8.877 -1.137 419 HB2 PHE 60 HB2 PHE 60 13.229 11.411 -1.463 420 HB3 PHE 60 HB3 PHE 60 12.230 10.810 -2.782 421 HD1 PHE 60 HD1 PHE 60 12.267 13.056 -0.208 422 HD2 PHE 60 HD2 PHE 60 9.790 10.002 -1.837 423 HE1 PHE 60 HE1 PHE 60 10.294 14.117 0.810 424 HE2 PHE 60 HE2 PHE 60 7.812 11.060 -0.822 425 HZ PHE 60 HZ PHE 60 8.063 13.120 0.503 426 H VAL 61 H VAL 61 11.960 7.322 -2.572 427 HA VAL 61 HA VAL 61 14.463 7.294 -4.120 428 HB VAL 61 HB VAL 61 14.368 4.782 -4.046 429 HG11 VAL 61 HG11 VAL 61 16.070 5.317 -2.694 430 HG12 VAL 61 HG12 VAL 61 15.162 6.610 -1.908 431 HG13 VAL 61 HG13 VAL 61 14.958 4.939 -1.379 432 HG21 VAL 61 HG21 VAL 61 11.969 4.739 -3.267 433 HG22 VAL 61 HG22 VAL 61 13.068 3.661 -2.408 434 HG23 VAL 61 HG23 VAL 61 12.566 5.181 -1.668 435 H ARG 62 H ARG 62 14.282 6.757 -6.250 436 HA ARG 62 HA ARG 62 11.685 6.939 -7.431 437 HB2 ARG 62 HB2 ARG 62 14.314 6.226 -8.743 438 HB3 ARG 62 HB3 ARG 62 12.851 6.761 -9.560 439 HG2 ARG 62 HG2 ARG 62 13.732 8.624 -7.512 440 HG3 ARG 62 HG3 ARG 62 14.948 8.352 -8.763 441 HD2 ARG 62 HD2 ARG 62 13.288 8.877 -10.484 442 HD3 ARG 62 HD3 ARG 62 12.075 9.144 -9.234 443 HE ARG 62 HE ARG 62 14.211 10.815 -8.658 444 HH11 ARG 62 HH11 ARG 62 11.878 10.379 -11.206 445 HH12 ARG 62 HH12 ARG 62 11.870 12.050 -11.662 446 HH21 ARG 62 HH21 ARG 62 14.209 13.018 -9.249 447 HH22 ARG 62 HH22 ARG 62 13.197 13.551 -10.549 448 H GLU 63 H GLU 63 10.303 5.295 -7.410 449 HA GLU 63 HA GLU 63 11.351 2.577 -7.856 450 HB2 GLU 63 HB2 GLU 63 9.616 1.691 -6.508 451 HB3 GLU 63 HB3 GLU 63 10.276 3.052 -5.613 452 HG2 GLU 63 HG2 GLU 63 8.419 4.447 -6.323 453 HG3 GLU 63 HG3 GLU 63 7.767 3.114 -7.273 454 H CYS 64 H CYS 64 10.563 1.407 -9.511 455 HA CYS 64 HA CYS 64 9.094 2.687 -11.560 456 HB2 CYS 64 HB2 CYS 64 10.271 0.018 -11.107 457 HB3 CYS 64 HB3 CYS 64 8.906 0.057 -12.217 458 H TYR 65 H TYR 65 6.993 2.387 -12.280 459 HA TYR 65 HA TYR 65 5.188 0.730 -10.702 460 HB2 TYR 65 HB2 TYR 65 3.583 2.642 -10.458 461 HB3 TYR 65 HB3 TYR 65 5.051 2.803 -9.501 462 HD1 TYR 65 HD1 TYR 65 3.444 3.914 -12.660 463 HD2 TYR 65 HD2 TYR 65 6.423 4.695 -9.723 464 HE1 TYR 65 HE1 TYR 65 3.852 6.120 -13.668 465 HE2 TYR 65 HE2 TYR 65 6.839 6.903 -10.724 466 HH TYR 65 HH TYR 65 5.278 7.884 -13.723 467 H ILE 66 H ILE 66 3.301 0.144 -11.777 468 HA ILE 66 HA ILE 66 2.957 1.134 -14.517 469 HB ILE 66 HB ILE 66 3.059 -1.785 -13.752 470 HG12 ILE 66 HG12 ILE 66 4.755 -0.347 -15.788 471 HG13 ILE 66 HG13 ILE 66 5.233 -0.469 -14.099 472 HG21 ILE 66 HG21 ILE 66 2.693 -2.159 -16.196 473 HG22 ILE 66 HG22 ILE 66 1.301 -1.495 -15.341 474 HG23 ILE 66 HG23 ILE 66 2.304 -0.445 -16.342 475 HD11 ILE 66 HD11 ILE 66 4.820 -2.720 -16.047 476 HD12 ILE 66 HD12 ILE 66 6.333 -2.194 -15.307 477 HD13 ILE 66 HD13 ILE 66 5.082 -2.947 -14.317 478 H CYS 67 H CYS 67 0.977 1.959 -14.565 479 HA CYS 67 HA CYS 67 -1.244 0.346 -13.547 480 HB2 CYS 67 HB2 CYS 67 -0.381 2.960 -12.521 481 HB3 CYS 67 HB3 CYS 67 -2.091 2.882 -12.935 482 H ALA 68 H ALA 68 -3.317 0.931 -14.457 483 HA ALA 68 HA ALA 68 -3.119 1.589 -17.231 484 HB1 ALA 68 HB1 ALA 68 -4.869 0.212 -17.170 485 HB2 ALA 68 HB2 ALA 68 -5.121 0.481 -15.445 486 HB3 ALA 68 HB3 ALA 68 -5.810 1.599 -16.623 487 H VAL 69 H VAL 69 -3.913 3.373 -18.323 488 HA VAL 69 HA VAL 69 -3.915 5.835 -16.835 489 HB VAL 69 HB VAL 69 -4.539 5.477 -19.765 490 HG11 VAL 69 HG11 VAL 69 -5.116 7.660 -18.974 491 HG12 VAL 69 HG12 VAL 69 -3.576 7.817 -18.127 492 HG13 VAL 69 HG13 VAL 69 -3.614 7.791 -19.891 493 HG21 VAL 69 HG21 VAL 69 -1.997 5.254 -18.293 494 HG22 VAL 69 HG22 VAL 69 -2.465 4.595 -19.860 495 HG23 VAL 69 HG23 VAL 69 -1.961 6.280 -19.727 496 H GLU 70 H GLU 70 -6.286 4.048 -18.787 497 HA GLU 70 HA GLU 70 -8.397 5.907 -18.300 498 HB2 GLU 70 HB2 GLU 70 -9.847 4.114 -19.269 499 HB3 GLU 70 HB3 GLU 70 -8.494 4.578 -20.292 500 HG2 GLU 70 HG2 GLU 70 -7.277 2.609 -19.684 501 HG3 GLU 70 HG3 GLU 70 -8.491 2.178 -18.480 502 H SER 71 H SER 71 -7.309 2.925 -16.802 503 HA SER 71 HA SER 71 -9.553 3.013 -14.919 504 HB2 SER 71 HB2 SER 71 -7.614 0.897 -15.763 505 HB3 SER 71 HB3 SER 71 -8.352 0.782 -14.165 506 HG SER 71 HG SER 71 -9.488 -0.260 -15.989 507 H SER 72 H SER 72 -9.318 3.703 -12.891 508 HA SER 72 HA SER 72 -6.703 4.620 -12.024 509 HB2 SER 72 HB2 SER 72 -9.520 5.099 -11.173 510 HB3 SER 72 HB3 SER 72 -8.251 5.319 -9.969 511 HG SER 72 HG SER 72 -8.969 6.966 -11.935 512 H MET 73 H MET 73 -9.111 2.213 -11.145 513 HA MET 73 HA MET 73 -7.550 1.344 -8.848 514 HB2 MET 73 HB2 MET 73 -10.240 0.620 -9.964 515 HB3 MET 73 HB3 MET 73 -9.456 -0.432 -8.794 516 HG2 MET 73 HG2 MET 73 -9.542 1.177 -7.108 517 HG3 MET 73 HG3 MET 73 -9.834 2.487 -8.250 518 HE1 MET 73 HE1 MET 73 -11.667 2.434 -5.696 519 HE2 MET 73 HE2 MET 73 -11.754 3.546 -7.062 520 HE3 MET 73 HE3 MET 73 -13.212 2.730 -6.496 521 H CYS 74 H CYS 74 -5.984 1.040 -10.979 522 HA CYS 74 HA CYS 74 -6.149 -1.238 -12.530 523 HB2 CYS 74 HB2 CYS 74 -3.695 -1.126 -12.702 524 HB3 CYS 74 HB3 CYS 74 -4.431 0.466 -12.861 Start of MODEL 13 1 H1 SER 1 H SER 1 1.234 0.234 0.351 2 HA SER 1 HA SER 1 1.969 1.159 -2.344 3 HB2 SER 1 HB2 SER 1 3.469 2.037 -0.449 4 HB3 SER 1 HB3 SER 1 4.033 0.373 -0.292 5 HG SER 1 HG SER 1 5.203 0.643 -2.009 6 H ASN 2 H ASN 2 0.377 -0.987 -2.096 7 HA ASN 2 HA ASN 2 1.772 -3.452 -1.801 8 HB2 ASN 2 HB2 ASN 2 -0.905 -2.732 -2.993 9 HB3 ASN 2 HB3 ASN 2 -0.304 -4.385 -2.959 10 HD21 ASN 2 HD21 ASN 2 -2.574 -4.087 -1.738 11 HD22 ASN 2 HD22 ASN 2 -2.407 -4.050 -0.019 12 H ARG 3 H ARG 3 2.075 -5.045 -3.521 13 HA ARG 3 HA ARG 3 3.659 -4.103 -5.603 14 HB2 ARG 3 HB2 ARG 3 3.501 -6.381 -6.533 15 HB3 ARG 3 HB3 ARG 3 3.808 -6.393 -4.802 16 HG2 ARG 3 HG2 ARG 3 1.246 -6.641 -4.585 17 HG3 ARG 3 HG3 ARG 3 1.317 -7.125 -6.281 18 HD2 ARG 3 HD2 ARG 3 1.401 -9.065 -4.800 19 HD3 ARG 3 HD3 ARG 3 2.894 -8.896 -5.721 20 HE ARG 3 HE ARG 3 4.025 -8.578 -3.759 21 HH11 ARG 3 HH11 ARG 3 0.620 -8.134 -3.192 22 HH12 ARG 3 HH12 ARG 3 0.787 -8.021 -1.471 23 HH21 ARG 3 HH21 ARG 3 4.260 -8.431 -1.496 24 HH22 ARG 3 HH22 ARG 3 2.860 -8.189 -0.508 25 H TRP 4 H TRP 4 0.231 -4.954 -5.567 26 HA TRP 4 HA TRP 4 -0.341 -4.890 -8.266 27 HB2 TRP 4 HB2 TRP 4 -2.119 -3.766 -6.093 28 HB3 TRP 4 HB3 TRP 4 -2.627 -4.402 -7.656 29 HD1 TRP 4 HD1 TRP 4 -2.498 -5.405 -4.180 30 HE1 TRP 4 HE1 TRP 4 -2.598 -7.965 -3.923 31 HE3 TRP 4 HE3 TRP 4 -1.477 -6.746 -9.007 32 HZ2 TRP 4 HZ2 TRP 4 -2.284 -10.248 -5.551 33 HZ3 TRP 4 HZ3 TRP 4 -1.396 -9.138 -9.574 34 HH2 TRP 4 HH2 TRP 4 -1.791 -10.852 -7.881 35 H ASN 5 H ASN 5 0.058 -2.200 -6.022 36 HA ASN 5 HA ASN 5 -0.880 -0.133 -7.647 37 HB2 ASN 5 HB2 ASN 5 1.335 -0.053 -5.587 38 HB3 ASN 5 HB3 ASN 5 0.505 1.354 -6.245 39 HD21 ASN 5 HD21 ASN 5 -1.008 2.133 -4.986 40 HD22 ASN 5 HD22 ASN 5 -1.970 1.238 -3.865 41 H LEU 6 H LEU 6 2.233 -1.754 -7.550 42 HA LEU 6 HA LEU 6 3.352 0.060 -9.533 43 HB2 LEU 6 HB2 LEU 6 4.539 -2.367 -8.196 44 HB3 LEU 6 HB3 LEU 6 5.401 -1.262 -9.265 45 HG LEU 6 HG LEU 6 6.077 -0.623 -7.133 46 HD11 LEU 6 HD11 LEU 6 5.283 1.580 -6.859 47 HD12 LEU 6 HD12 LEU 6 3.713 1.183 -7.558 48 HD13 LEU 6 HD13 LEU 6 5.146 1.230 -8.583 49 HD21 LEU 6 HD21 LEU 6 4.865 -0.744 -5.202 50 HD22 LEU 6 HD22 LEU 6 4.047 -1.991 -6.144 51 HD23 LEU 6 HD23 LEU 6 3.337 -0.383 -6.004 52 H GLY 7 H GLY 7 1.156 -2.151 -9.865 53 HA2 GLY 7 HA2 GLY 7 0.492 -3.595 -11.522 54 HA3 GLY 7 HA3 GLY 7 1.549 -2.657 -12.567 55 H TYR 8 H TYR 8 2.666 -4.479 -9.786 56 HA TYR 8 HA TYR 8 4.694 -5.782 -11.228 57 HB2 TYR 8 HB2 TYR 8 4.942 -5.485 -8.861 58 HB3 TYR 8 HB3 TYR 8 3.462 -6.382 -8.536 59 HD1 TYR 8 HD1 TYR 8 6.354 -7.192 -10.750 60 HD2 TYR 8 HD2 TYR 8 4.078 -8.258 -7.316 61 HE1 TYR 8 HE1 TYR 8 7.663 -9.263 -10.531 62 HE2 TYR 8 HE2 TYR 8 5.380 -10.331 -7.088 63 HH TYR 8 HH TYR 8 8.242 -10.862 -8.460 64 H GLY 9 H GLY 9 1.536 -6.947 -10.082 65 HA2 GLY 9 HA2 GLY 9 1.716 -9.599 -10.860 66 HA3 GLY 9 HA3 GLY 9 0.219 -8.679 -10.814 67 H ILE 10 H ILE 10 1.069 -6.765 -12.831 68 HA ILE 10 HA ILE 10 0.129 -8.089 -15.128 69 HB ILE 10 HB ILE 10 1.654 -5.487 -14.986 70 HG12 ILE 10 HG12 ILE 10 -1.335 -5.933 -15.031 71 HG13 ILE 10 HG13 ILE 10 -0.414 -5.615 -13.565 72 HG21 ILE 10 HG21 ILE 10 0.654 -4.973 -17.120 73 HG22 ILE 10 HG22 ILE 10 1.538 -6.493 -17.237 74 HG23 ILE 10 HG23 ILE 10 -0.221 -6.504 -17.115 75 HD11 ILE 10 HD11 ILE 10 0.065 -3.661 -15.665 76 HD12 ILE 10 HD12 ILE 10 -1.618 -3.737 -15.142 77 HD13 ILE 10 HD13 ILE 10 -0.341 -3.429 -13.965 78 HA PRO 11 HA PRO 11 3.819 -10.066 -16.554 79 HB2 PRO 11 HB2 PRO 11 2.952 -10.656 -19.058 80 HB3 PRO 11 HB3 PRO 11 2.421 -11.541 -17.624 81 HG2 PRO 11 HG2 PRO 11 1.035 -9.348 -19.118 82 HG3 PRO 11 HG3 PRO 11 0.363 -10.852 -18.461 83 HD2 PRO 11 HD2 PRO 11 0.102 -8.467 -17.204 84 HD3 PRO 11 HD3 PRO 11 0.226 -10.003 -16.322 85 H HIS 12 H HIS 12 5.604 -8.988 -17.089 86 HA HIS 12 HA HIS 12 5.453 -6.997 -19.259 87 HB2 HIS 12 HB2 HIS 12 7.527 -6.968 -17.074 88 HB3 HIS 12 HB3 HIS 12 7.070 -5.664 -18.167 89 HD1 HIS 12 HD1 HIS 12 6.849 -6.309 -14.797 90 HD2 HIS 12 HD2 HIS 12 3.983 -5.264 -17.617 91 HE1 HIS 12 HE1 HIS 12 4.946 -5.318 -13.486 92 H LYS 13 H LYS 13 7.460 -6.710 -20.497 93 HA LYS 13 HA LYS 13 8.940 -9.246 -20.739 94 HB2 LYS 13 HB2 LYS 13 7.397 -8.659 -22.645 95 HB3 LYS 13 HB3 LYS 13 8.418 -7.261 -22.955 96 HG2 LYS 13 HG2 LYS 13 9.029 -9.015 -24.461 97 HG3 LYS 13 HG3 LYS 13 10.335 -8.792 -23.294 98 HD2 LYS 13 HD2 LYS 13 9.799 -10.761 -22.146 99 HD3 LYS 13 HD3 LYS 13 8.188 -10.845 -22.864 100 HE2 LYS 13 HE2 LYS 13 9.706 -12.517 -23.821 101 HE3 LYS 13 HE3 LYS 13 9.159 -11.359 -25.032 102 HZ1 LYS 13 HZ1 LYS 13 11.219 -10.373 -25.149 103 HZ2 LYS 13 HZ2 LYS 13 11.643 -11.993 -24.912 104 HZ3 LYS 13 HZ3 LYS 13 11.699 -10.907 -23.617 105 H GLN 14 H GLN 14 10.966 -9.065 -20.064 106 HA GLN 14 HA GLN 14 12.256 -6.532 -19.754 107 HB2 GLN 14 HB2 GLN 14 12.535 -8.869 -18.478 108 HB3 GLN 14 HB3 GLN 14 13.843 -9.040 -19.640 109 HG2 GLN 14 HG2 GLN 14 14.628 -6.753 -18.856 110 HG3 GLN 14 HG3 GLN 14 13.500 -6.952 -17.517 111 HE21 GLN 14 HE21 GLN 14 16.130 -6.630 -16.987 112 HE22 GLN 14 HE22 GLN 14 16.814 -8.109 -16.409 113 H VAL 15 H VAL 15 13.956 -5.665 -20.899 114 HA VAL 15 HA VAL 15 15.053 -7.090 -23.177 115 HB VAL 15 HB VAL 15 14.566 -5.118 -24.698 116 HG11 VAL 15 HG11 VAL 15 12.587 -6.077 -25.492 117 HG12 VAL 15 HG12 VAL 15 13.395 -7.398 -24.648 118 HG13 VAL 15 HG13 VAL 15 12.058 -6.546 -23.877 119 HG21 VAL 15 HG21 VAL 15 13.885 -3.508 -23.022 120 HG22 VAL 15 HG22 VAL 15 12.557 -3.795 -24.145 121 HG23 VAL 15 HG23 VAL 15 12.533 -4.535 -22.546 122 H LYS 16 H LYS 16 16.692 -5.652 -24.341 123 HA LYS 16 HA LYS 16 18.350 -4.406 -22.307 124 HB2 LYS 16 HB2 LYS 16 18.885 -5.037 -25.216 125 HB3 LYS 16 HB3 LYS 16 20.068 -4.353 -24.108 126 HG2 LYS 16 HG2 LYS 16 18.844 -6.776 -23.075 127 HG3 LYS 16 HG3 LYS 16 19.667 -7.025 -24.616 128 HD2 LYS 16 HD2 LYS 16 21.700 -6.039 -23.707 129 HD3 LYS 16 HD3 LYS 16 20.879 -5.724 -22.177 130 HE2 LYS 16 HE2 LYS 16 20.409 -8.308 -22.273 131 HE3 LYS 16 HE3 LYS 16 21.810 -8.305 -23.345 132 HZ1 LYS 16 HZ1 LYS 16 23.164 -7.418 -21.649 133 HZ2 LYS 16 HZ2 LYS 16 22.292 -8.676 -20.929 134 HZ3 LYS 16 HZ3 LYS 16 21.843 -7.069 -20.651 135 H LEU 17 H LEU 17 18.855 -2.281 -22.182 136 HA LEU 17 HA LEU 17 17.322 -0.466 -23.883 137 HB2 LEU 17 HB2 LEU 17 18.795 -0.095 -21.289 138 HB3 LEU 17 HB3 LEU 17 18.121 1.252 -22.204 139 HG LEU 17 HG LEU 17 16.289 -0.971 -21.483 140 HD11 LEU 17 HD11 LEU 17 17.461 0.975 -19.518 141 HD12 LEU 17 HD12 LEU 17 17.335 -0.777 -19.385 142 HD13 LEU 17 HD13 LEU 17 15.884 0.220 -19.282 143 HD21 LEU 17 HD21 LEU 17 15.036 1.349 -20.924 144 HD22 LEU 17 HD22 LEU 17 15.048 0.599 -22.521 145 HD23 LEU 17 HD23 LEU 17 16.182 1.897 -22.147 146 HA PRO 18 HA PRO 18 20.744 0.986 -26.214 147 HB2 PRO 18 HB2 PRO 18 20.151 3.622 -26.483 148 HB3 PRO 18 HB3 PRO 18 19.267 2.346 -27.330 149 HG2 PRO 18 HG2 PRO 18 18.531 3.819 -24.831 150 HG3 PRO 18 HG3 PRO 18 17.510 3.381 -26.214 151 HD2 PRO 18 HD2 PRO 18 17.510 1.974 -23.900 152 HD3 PRO 18 HD3 PRO 18 17.226 1.215 -25.479 153 H ASN 19 H ASN 19 20.148 2.175 -23.063 154 HA ASN 19 HA ASN 19 22.398 3.952 -22.918 155 HB2 ASN 19 HB2 ASN 19 21.077 2.740 -20.511 156 HB3 ASN 19 HB3 ASN 19 21.768 4.347 -20.704 157 HD21 ASN 19 HD21 ASN 19 19.030 3.122 -19.990 158 HD22 ASN 19 HD22 ASN 19 17.926 4.073 -20.917 159 H GLY 20 H GLY 20 21.926 0.571 -22.640 160 HA2 GLY 20 HA2 GLY 20 23.917 -0.824 -22.769 161 HA3 GLY 20 HA3 GLY 20 24.696 0.295 -21.659 162 H GLN 21 H GLN 21 22.105 0.403 -20.092 163 HA GLN 21 HA GLN 21 22.660 -1.983 -18.494 164 HB2 GLN 21 HB2 GLN 21 20.997 0.438 -17.784 165 HB3 GLN 21 HB3 GLN 21 21.499 -0.843 -16.690 166 HG2 GLN 21 HG2 GLN 21 23.248 1.197 -18.037 167 HG3 GLN 21 HG3 GLN 21 22.886 1.058 -16.318 168 HE21 GLN 21 HE21 GLN 21 25.470 1.097 -17.544 169 HE22 GLN 21 HE22 GLN 21 26.236 -0.405 -17.168 170 H LEU 22 H LEU 22 20.727 -2.974 -17.374 171 HA LEU 22 HA LEU 22 18.707 -3.546 -19.399 172 HB2 LEU 22 HB2 LEU 22 19.481 -4.878 -16.818 173 HB3 LEU 22 HB3 LEU 22 18.048 -5.344 -17.730 174 HG LEU 22 HG LEU 22 20.911 -5.539 -18.662 175 HD11 LEU 22 HD11 LEU 22 18.881 -7.655 -17.960 176 HD12 LEU 22 HD12 LEU 22 20.310 -7.229 -17.020 177 HD13 LEU 22 HD13 LEU 22 20.490 -7.947 -18.619 178 HD21 LEU 22 HD21 LEU 22 18.319 -6.180 -20.062 179 HD22 LEU 22 HD22 LEU 22 19.905 -6.723 -20.610 180 HD23 LEU 22 HD23 LEU 22 19.537 -4.999 -20.548 181 H CYS 23 H CYS 23 16.440 -3.674 -18.819 182 HA CYS 23 HA CYS 23 15.437 -1.356 -17.676 183 HB2 CYS 23 HB2 CYS 23 13.997 -4.009 -17.868 184 HB3 CYS 23 HB3 CYS 23 13.255 -2.416 -17.762 185 H LYS 24 H LYS 24 13.870 -1.304 -15.787 186 HA LYS 24 HA LYS 24 15.120 -2.665 -13.493 187 HB2 LYS 24 HB2 LYS 24 14.036 0.063 -13.901 188 HB3 LYS 24 HB3 LYS 24 13.714 -0.673 -12.338 189 HG2 LYS 24 HG2 LYS 24 16.442 -0.340 -13.569 190 HG3 LYS 24 HG3 LYS 24 15.742 0.704 -12.330 191 HD2 LYS 24 HD2 LYS 24 16.601 -0.665 -10.801 192 HD3 LYS 24 HD3 LYS 24 15.464 -1.898 -11.349 193 HE2 LYS 24 HE2 LYS 24 17.329 -2.228 -13.214 194 HE3 LYS 24 HE3 LYS 24 18.356 -1.569 -11.941 195 HZ1 LYS 24 HZ1 LYS 24 17.615 -4.171 -12.200 196 HZ2 LYS 24 HZ2 LYS 24 16.573 -3.604 -10.993 197 HZ3 LYS 24 HZ3 LYS 24 18.248 -3.461 -10.800 198 H GLU 25 H GLU 25 13.732 -3.322 -11.735 199 HA GLU 25 HA GLU 25 11.212 -4.393 -12.720 200 HB2 GLU 25 HB2 GLU 25 12.527 -4.846 -10.038 201 HB3 GLU 25 HB3 GLU 25 11.223 -5.787 -10.749 202 HG2 GLU 25 HG2 GLU 25 13.460 -5.727 -12.535 203 HG3 GLU 25 HG3 GLU 25 13.980 -6.246 -10.932 204 HA PRO 26 HA PRO 26 8.575 -1.529 -10.693 205 HB2 PRO 26 HB2 PRO 26 6.470 -3.121 -10.054 206 HB3 PRO 26 HB3 PRO 26 6.822 -2.612 -11.709 207 HG2 PRO 26 HG2 PRO 26 7.460 -5.200 -10.347 208 HG3 PRO 26 HG3 PRO 26 6.834 -4.920 -11.984 209 HD2 PRO 26 HD2 PRO 26 9.444 -5.454 -11.492 210 HD3 PRO 26 HD3 PRO 26 8.917 -4.409 -12.828 211 H GLY 27 H GLY 27 9.139 -0.722 -8.762 212 HA2 GLY 27 HA2 GLY 27 8.540 -0.703 -6.402 213 HA3 GLY 27 HA3 GLY 27 8.755 -2.446 -6.398 214 H ASP 28 H ASP 28 11.215 -2.340 -7.968 215 HA ASP 28 HA ASP 28 13.033 -1.885 -5.779 216 HB2 ASP 28 HB2 ASP 28 13.014 -3.662 -7.837 217 HB3 ASP 28 HB3 ASP 28 14.155 -2.467 -8.446 218 H SER 29 H SER 29 14.891 -0.528 -5.854 219 HA SER 29 HA SER 29 14.364 2.079 -6.792 220 HB2 SER 29 HB2 SER 29 16.567 2.647 -5.959 221 HB3 SER 29 HB3 SER 29 15.804 1.533 -4.825 222 HG SER 29 HG SER 29 18.048 1.208 -6.369 223 H CYS 30 H CYS 30 15.384 3.306 -8.408 224 HA CYS 30 HA CYS 30 16.734 1.735 -10.504 225 HB2 CYS 30 HB2 CYS 30 14.996 4.094 -11.157 226 HB3 CYS 30 HB3 CYS 30 15.494 2.764 -12.197 227 H SER 31 H SER 31 17.748 3.370 -12.166 228 HA SER 31 HA SER 31 19.367 5.233 -10.573 229 HB2 SER 31 HB2 SER 31 19.898 3.739 -13.136 230 HB3 SER 31 HB3 SER 31 20.895 5.107 -12.643 231 HG SER 31 HG SER 31 21.302 2.702 -11.934 232 H LYS 32 H LYS 32 17.321 4.984 -13.404 233 HA LYS 32 HA LYS 32 16.920 7.840 -13.407 234 HB2 LYS 32 HB2 LYS 32 18.411 6.448 -15.607 235 HB3 LYS 32 HB3 LYS 32 17.424 7.858 -15.964 236 HG2 LYS 32 HG2 LYS 32 18.748 9.029 -14.119 237 HG3 LYS 32 HG3 LYS 32 19.872 7.673 -14.246 238 HD2 LYS 32 HD2 LYS 32 20.782 9.252 -15.691 239 HD3 LYS 32 HD3 LYS 32 19.867 8.200 -16.774 240 HE2 LYS 32 HE2 LYS 32 17.986 9.802 -16.672 241 HE3 LYS 32 HE3 LYS 32 18.978 10.865 -15.675 242 HZ1 LYS 32 HZ1 LYS 32 20.600 10.502 -17.736 243 HZ2 LYS 32 HZ2 LYS 32 19.464 11.754 -17.672 244 HZ3 LYS 32 HZ3 LYS 32 19.116 10.337 -18.532 245 H ARG 33 H ARG 33 15.113 8.493 -14.677 246 HA ARG 33 HA ARG 33 12.950 6.761 -14.653 247 HB2 ARG 33 HB2 ARG 33 12.917 9.290 -14.818 248 HB3 ARG 33 HB3 ARG 33 13.226 9.101 -16.538 249 HG2 ARG 33 HG2 ARG 33 11.149 7.858 -16.790 250 HG3 ARG 33 HG3 ARG 33 10.843 8.007 -15.059 251 HD2 ARG 33 HD2 ARG 33 11.025 10.258 -17.057 252 HD3 ARG 33 HD3 ARG 33 9.560 9.661 -16.278 253 HE ARG 33 HE ARG 33 11.333 10.414 -14.269 254 HH11 ARG 33 HH11 ARG 33 9.541 11.889 -16.863 255 HH12 ARG 33 HH12 ARG 33 9.390 13.419 -16.063 256 HH21 ARG 33 HH21 ARG 33 11.142 12.423 -13.205 257 HH22 ARG 33 HH22 ARG 33 10.301 13.721 -13.983 258 H ASP 34 H ASP 34 15.316 7.359 -17.165 259 HA ASP 34 HA ASP 34 13.941 6.091 -19.287 260 HB2 ASP 34 HB2 ASP 34 16.908 6.501 -18.852 261 HB3 ASP 34 HB3 ASP 34 16.176 5.975 -20.366 262 H GLU 35 H GLU 35 15.749 4.888 -16.596 263 HA GLU 35 HA GLU 35 16.458 2.357 -17.620 264 HB2 GLU 35 HB2 GLU 35 15.887 3.146 -14.758 265 HB3 GLU 35 HB3 GLU 35 16.736 1.696 -15.273 266 HG2 GLU 35 HG2 GLU 35 17.672 4.503 -15.811 267 HG3 GLU 35 HG3 GLU 35 18.228 3.495 -14.477 268 H CYS 36 H CYS 36 13.510 3.615 -16.231 269 HA CYS 36 HA CYS 36 12.262 1.092 -15.785 270 HB2 CYS 36 HB2 CYS 36 11.705 3.604 -14.973 271 HB3 CYS 36 HB3 CYS 36 10.559 3.462 -16.301 272 H CYS 37 H CYS 37 11.542 -0.269 -17.269 273 HA CYS 37 HA CYS 37 11.249 0.569 -20.021 274 HB2 CYS 37 HB2 CYS 37 11.500 -1.973 -18.571 275 HB3 CYS 37 HB3 CYS 37 10.392 -2.037 -19.936 276 H LYS 38 H LYS 38 9.255 -0.745 -21.112 277 HA LYS 38 HA LYS 38 6.869 0.343 -19.785 278 HB2 LYS 38 HB2 LYS 38 7.087 -0.458 -22.683 279 HB3 LYS 38 HB3 LYS 38 5.862 0.554 -21.930 280 HG2 LYS 38 HG2 LYS 38 7.835 2.135 -21.392 281 HG3 LYS 38 HG3 LYS 38 8.687 1.223 -22.640 282 HD2 LYS 38 HD2 LYS 38 7.121 1.851 -24.299 283 HD3 LYS 38 HD3 LYS 38 5.980 2.456 -23.097 284 HE2 LYS 38 HE2 LYS 38 7.215 4.376 -22.704 285 HE3 LYS 38 HE3 LYS 38 8.708 3.662 -23.313 286 HZ1 LYS 38 HZ1 LYS 38 8.288 4.524 -25.291 287 HZ2 LYS 38 HZ2 LYS 38 6.887 5.256 -24.693 288 HZ3 LYS 38 HZ3 LYS 38 6.807 3.712 -25.382 289 H ALA 39 H ALA 39 4.945 -0.878 -19.711 290 HA ALA 39 HA ALA 39 5.344 -3.667 -19.259 291 HB1 ALA 39 HB1 ALA 39 3.735 -2.167 -18.019 292 HB2 ALA 39 HB2 ALA 39 2.689 -2.266 -19.437 293 HB3 ALA 39 HB3 ALA 39 3.093 -3.727 -18.536 294 H ASP 40 H ASP 40 3.882 -5.332 -20.234 295 HA ASP 40 HA ASP 40 4.327 -5.627 -22.942 296 HB2 ASP 40 HB2 ASP 40 2.293 -6.866 -21.102 297 HB3 ASP 40 HB3 ASP 40 2.369 -7.303 -22.806 298 H ASP 41 H ASP 41 1.453 -4.353 -21.312 299 HA ASP 41 HA ASP 41 0.384 -3.545 -23.930 300 HB2 ASP 41 HB2 ASP 41 -0.939 -4.984 -22.156 301 HB3 ASP 41 HB3 ASP 41 -1.243 -3.410 -21.426 302 H GLN 42 H GLN 42 2.383 -1.963 -23.240 303 HA GLN 42 HA GLN 42 1.983 0.142 -21.495 304 HB2 GLN 42 HB2 GLN 42 3.523 1.430 -22.948 305 HB3 GLN 42 HB3 GLN 42 4.107 -0.193 -22.600 306 HG2 GLN 42 HG2 GLN 42 3.272 -0.927 -24.802 307 HG3 GLN 42 HG3 GLN 42 2.800 0.736 -25.146 308 HE21 GLN 42 HE21 GLN 42 4.276 2.111 -25.924 309 HE22 GLN 42 HE22 GLN 42 5.951 1.746 -26.136 310 H LYS 43 H LYS 43 0.522 -0.462 -24.584 311 HA LYS 43 HA LYS 43 -0.326 2.091 -25.294 312 HB2 LYS 43 HB2 LYS 43 -1.853 -0.485 -25.702 313 HB3 LYS 43 HB3 LYS 43 -2.035 0.998 -26.630 314 HG2 LYS 43 HG2 LYS 43 0.477 -0.658 -26.523 315 HG3 LYS 43 HG3 LYS 43 -0.738 -0.744 -27.801 316 HD2 LYS 43 HD2 LYS 43 -0.302 1.883 -27.844 317 HD3 LYS 43 HD3 LYS 43 1.264 1.368 -27.211 318 HE2 LYS 43 HE2 LYS 43 0.139 -0.048 -29.578 319 HE3 LYS 43 HE3 LYS 43 0.826 1.560 -29.804 320 HZ1 LYS 43 HZ1 LYS 43 2.785 0.524 -28.451 321 HZ2 LYS 43 HZ2 LYS 43 2.657 0.259 -30.116 322 HZ3 LYS 43 HZ3 LYS 43 2.155 -0.936 -29.030 323 H THR 44 H THR 44 -1.518 -0.090 -22.859 324 HA THR 44 HA THR 44 -3.707 1.791 -22.260 325 HB THR 44 HB THR 44 -4.564 -0.231 -20.861 326 HG1 THR 44 HG1 THR 44 -2.469 -1.373 -21.463 327 HG21 THR 44 HG21 THR 44 -5.199 -1.230 -23.363 328 HG22 THR 44 HG22 THR 44 -4.844 0.471 -23.668 329 HG23 THR 44 HG23 THR 44 -6.076 0.025 -22.489 330 H TYR 45 H TYR 45 -1.077 -0.113 -20.884 331 HA TYR 45 HA TYR 45 -1.467 1.181 -18.286 332 HB2 TYR 45 HB2 TYR 45 0.582 -0.934 -18.922 333 HB3 TYR 45 HB3 TYR 45 -0.085 -0.497 -17.354 334 HD1 TYR 45 HD1 TYR 45 -3.000 -0.432 -18.102 335 HD2 TYR 45 HD2 TYR 45 0.073 -3.233 -19.007 336 HE1 TYR 45 HE1 TYR 45 -4.689 -2.206 -18.324 337 HE2 TYR 45 HE2 TYR 45 -1.609 -5.014 -19.230 338 HH TYR 45 HH TYR 45 -3.873 -5.512 -18.493 339 H SER 46 H SER 46 0.231 2.280 -17.227 340 HA SER 46 HA SER 46 2.144 3.506 -19.085 341 HB2 SER 46 HB2 SER 46 0.495 4.894 -17.676 342 HB3 SER 46 HB3 SER 46 1.530 4.494 -16.305 343 HG SER 46 HG SER 46 2.829 5.994 -16.960 344 H SER 47 H SER 47 4.261 4.186 -18.019 345 HA SER 47 HA SER 47 5.221 2.424 -15.933 346 HB2 SER 47 HB2 SER 47 6.841 1.261 -17.181 347 HB3 SER 47 HB3 SER 47 5.405 1.204 -18.201 348 HG SER 47 HG SER 47 7.707 2.817 -18.477 349 H GLY 48 H GLY 48 6.938 3.263 -14.835 350 HA2 GLY 48 HA2 GLY 48 8.829 5.071 -15.809 351 HA3 GLY 48 HA3 GLY 48 7.509 6.013 -15.135 352 H CYS 49 H CYS 49 10.181 6.012 -14.173 353 HA CYS 49 HA CYS 49 9.752 4.863 -11.494 354 HB2 CYS 49 HB2 CYS 49 11.568 3.776 -12.987 355 HB3 CYS 49 HB3 CYS 49 12.493 5.240 -12.672 356 H ALA 50 H ALA 50 9.254 6.547 -10.240 357 HA ALA 50 HA ALA 50 11.017 8.905 -10.343 358 HB1 ALA 50 HB1 ALA 50 8.038 8.774 -10.270 359 HB2 ALA 50 HB2 ALA 50 8.867 10.122 -9.492 360 HB3 ALA 50 HB3 ALA 50 9.096 9.822 -11.215 361 H GLN 51 H GLN 51 11.261 10.049 -8.331 362 HA GLN 51 HA GLN 51 11.746 8.391 -6.137 363 HB2 GLN 51 HB2 GLN 51 11.309 11.380 -6.081 364 HB3 GLN 51 HB3 GLN 51 12.172 10.424 -4.882 365 HG2 GLN 51 HG2 GLN 51 13.933 9.955 -6.405 366 HG3 GLN 51 HG3 GLN 51 13.026 10.635 -7.755 367 HE21 GLN 51 HE21 GLN 51 15.165 11.256 -5.183 368 HE22 GLN 51 HE22 GLN 51 15.297 12.965 -5.393 369 H THR 52 H THR 52 10.646 7.937 -4.274 370 HA THR 52 HA THR 52 8.053 9.159 -3.783 371 HB THR 52 HB THR 52 6.919 6.957 -3.564 372 HG1 THR 52 HG1 THR 52 9.321 6.021 -4.781 373 HG21 THR 52 HG21 THR 52 6.561 6.598 -5.944 374 HG22 THR 52 HG22 THR 52 8.037 7.488 -6.319 375 HG23 THR 52 HG23 THR 52 6.661 8.324 -5.599 376 H TRP 53 H TRP 53 7.756 9.452 -1.670 377 HA TRP 53 HA TRP 53 9.657 8.910 0.252 378 HB2 TRP 53 HB2 TRP 53 7.954 10.556 0.666 379 HB3 TRP 53 HB3 TRP 53 6.682 9.342 0.558 380 HD1 TRP 53 HD1 TRP 53 6.030 8.103 2.745 381 HE1 TRP 53 HE1 TRP 53 6.857 8.190 5.181 382 HE3 TRP 53 HE3 TRP 53 10.233 10.937 2.073 383 HZ2 TRP 53 HZ2 TRP 53 9.006 9.312 6.626 384 HZ3 TRP 53 HZ3 TRP 53 11.619 11.473 4.033 385 HH2 TRP 53 HH2 TRP 53 11.016 10.677 6.263 386 H SER 54 H SER 54 10.417 6.989 0.841 387 HA SER 54 HA SER 54 8.563 4.716 1.014 388 HB2 SER 54 HB2 SER 54 10.501 4.366 -0.441 389 HB3 SER 54 HB3 SER 54 11.590 4.760 0.890 390 HG SER 54 HG SER 54 9.803 2.558 0.742 391 H ALA 55 H ALA 55 7.795 4.309 2.970 392 HA ALA 55 HA ALA 55 8.971 5.338 5.354 393 HB1 ALA 55 HB1 ALA 55 7.014 3.156 5.617 394 HB2 ALA 55 HB2 ALA 55 7.040 4.758 6.355 395 HB3 ALA 55 HB3 ALA 55 6.474 4.560 4.696 396 H MET 56 H MET 56 8.926 2.184 3.780 397 HA MET 56 HA MET 56 10.103 0.736 5.910 398 HB2 MET 56 HB2 MET 56 9.866 0.229 2.952 399 HB3 MET 56 HB3 MET 56 10.718 -0.886 4.014 400 HG2 MET 56 HG2 MET 56 7.955 -0.063 4.737 401 HG3 MET 56 HG3 MET 56 8.182 -1.213 3.423 402 HE1 MET 56 HE1 MET 56 8.484 -4.254 4.488 403 HE2 MET 56 HE2 MET 56 9.359 -3.141 3.435 404 HE3 MET 56 HE3 MET 56 10.193 -3.928 4.776 405 H GLU 57 H GLU 57 11.492 2.104 2.927 406 HA GLU 57 HA GLU 57 14.170 1.426 3.627 407 HB2 GLU 57 HB2 GLU 57 13.280 3.529 1.650 408 HB3 GLU 57 HB3 GLU 57 14.822 2.685 1.687 409 HG2 GLU 57 HG2 GLU 57 12.188 1.310 1.234 410 HG3 GLU 57 HG3 GLU 57 13.219 1.909 -0.065 411 H GLY 58 H GLY 58 12.126 4.232 4.103 412 HA2 GLY 58 HA2 GLY 58 12.386 5.971 5.606 413 HA3 GLY 58 HA3 GLY 58 13.909 5.254 6.113 414 H GLY 59 H GLY 59 13.125 6.097 2.792 415 HA2 GLY 59 HA2 GLY 59 14.384 8.645 2.810 416 HA3 GLY 59 HA3 GLY 59 15.512 7.409 2.273 417 H PHE 60 H PHE 60 14.175 9.720 0.887 418 HA PHE 60 HA PHE 60 12.256 8.840 -0.935 419 HB2 PHE 60 HB2 PHE 60 14.315 11.024 -1.007 420 HB3 PHE 60 HB3 PHE 60 13.311 10.705 -2.416 421 HD1 PHE 60 HD1 PHE 60 13.570 12.495 0.597 422 HD2 PHE 60 HD2 PHE 60 10.741 10.609 -1.963 423 HE1 PHE 60 HE1 PHE 60 11.776 13.870 1.571 424 HE2 PHE 60 HE2 PHE 60 8.944 11.981 -0.994 425 HZ PHE 60 HZ PHE 60 9.460 13.613 0.775 426 H VAL 61 H VAL 61 12.351 7.337 -2.454 427 HA VAL 61 HA VAL 61 14.842 6.966 -3.955 428 HB VAL 61 HB VAL 61 14.403 4.464 -3.897 429 HG11 VAL 61 HG11 VAL 61 15.751 6.176 -2.062 430 HG12 VAL 61 HG12 VAL 61 15.119 4.784 -1.180 431 HG13 VAL 61 HG13 VAL 61 16.178 4.541 -2.569 432 HG21 VAL 61 HG21 VAL 61 13.003 3.519 -2.310 433 HG22 VAL 61 HG22 VAL 61 12.947 4.987 -1.333 434 HG23 VAL 61 HG23 VAL 61 12.068 4.910 -2.859 435 H ARG 62 H ARG 62 14.584 6.250 -6.068 436 HA ARG 62 HA ARG 62 11.946 6.707 -7.180 437 HB2 ARG 62 HB2 ARG 62 14.523 6.025 -8.606 438 HB3 ARG 62 HB3 ARG 62 13.050 6.644 -9.341 439 HG2 ARG 62 HG2 ARG 62 13.348 8.772 -8.436 440 HG3 ARG 62 HG3 ARG 62 14.505 8.195 -7.234 441 HD2 ARG 62 HD2 ARG 62 16.214 7.981 -8.810 442 HD3 ARG 62 HD3 ARG 62 15.087 7.992 -10.167 443 HE ARG 62 HE ARG 62 14.747 10.441 -9.107 444 HH11 ARG 62 HH11 ARG 62 17.587 8.651 -10.026 445 HH12 ARG 62 HH12 ARG 62 18.505 10.063 -10.431 446 HH21 ARG 62 HH21 ARG 62 15.944 12.309 -9.636 447 HH22 ARG 62 HH22 ARG 62 17.571 12.143 -10.207 448 H GLU 63 H GLU 63 10.543 5.080 -7.212 449 HA GLU 63 HA GLU 63 11.547 2.379 -7.830 450 HB2 GLU 63 HB2 GLU 63 9.689 1.475 -6.557 451 HB3 GLU 63 HB3 GLU 63 10.612 2.586 -5.555 452 HG2 GLU 63 HG2 GLU 63 8.928 4.338 -6.036 453 HG3 GLU 63 HG3 GLU 63 7.978 3.133 -6.902 454 H CYS 64 H CYS 64 10.658 1.274 -9.488 455 HA CYS 64 HA CYS 64 9.214 2.663 -11.471 456 HB2 CYS 64 HB2 CYS 64 10.144 -0.128 -11.064 457 HB3 CYS 64 HB3 CYS 64 8.839 0.110 -12.220 458 H TYR 65 H TYR 65 7.088 2.369 -12.233 459 HA TYR 65 HA TYR 65 5.213 0.905 -10.555 460 HB2 TYR 65 HB2 TYR 65 3.714 2.902 -10.380 461 HB3 TYR 65 HB3 TYR 65 5.208 3.048 -9.461 462 HD1 TYR 65 HD1 TYR 65 3.612 4.035 -12.671 463 HD2 TYR 65 HD2 TYR 65 6.627 4.881 -9.791 464 HE1 TYR 65 HE1 TYR 65 4.096 6.161 -13.810 465 HE2 TYR 65 HE2 TYR 65 7.119 7.010 -10.920 466 HH TYR 65 HH TYR 65 6.794 7.876 -13.434 467 H ILE 66 H ILE 66 3.319 0.326 -11.600 468 HA ILE 66 HA ILE 66 2.968 1.230 -14.367 469 HB ILE 66 HB ILE 66 3.023 -1.661 -13.500 470 HG12 ILE 66 HG12 ILE 66 4.679 -0.359 -15.651 471 HG13 ILE 66 HG13 ILE 66 5.205 -0.377 -13.971 472 HG21 ILE 66 HG21 ILE 66 1.853 -0.314 -15.853 473 HG22 ILE 66 HG22 ILE 66 2.772 -1.785 -16.166 474 HG23 ILE 66 HG23 ILE 66 1.397 -1.824 -15.063 475 HD11 ILE 66 HD11 ILE 66 4.804 -2.694 -15.827 476 HD12 ILE 66 HD12 ILE 66 6.267 -2.199 -14.974 477 HD13 ILE 66 HD13 ILE 66 4.919 -2.898 -14.078 478 H CYS 67 H CYS 67 0.960 1.916 -14.646 479 HA CYS 67 HA CYS 67 -1.261 0.465 -13.444 480 HB2 CYS 67 HB2 CYS 67 -0.288 2.766 -12.222 481 HB3 CYS 67 HB3 CYS 67 -1.665 3.334 -13.161 482 H ALA 68 H ALA 68 -3.302 0.923 -14.424 483 HA ALA 68 HA ALA 68 -3.131 1.381 -17.220 484 HB1 ALA 68 HB1 ALA 68 -4.875 -0.003 -16.864 485 HB2 ALA 68 HB2 ALA 68 -5.253 0.700 -15.291 486 HB3 ALA 68 HB3 ALA 68 -5.781 1.507 -16.767 487 H VAL 69 H VAL 69 -3.598 3.141 -18.436 488 HA VAL 69 HA VAL 69 -3.599 5.702 -17.162 489 HB VAL 69 HB VAL 69 -4.119 5.133 -20.078 490 HG11 VAL 69 HG11 VAL 69 -4.459 7.460 -18.936 491 HG12 VAL 69 HG12 VAL 69 -2.697 7.529 -19.006 492 HG13 VAL 69 HG13 VAL 69 -3.633 7.346 -20.490 493 HG21 VAL 69 HG21 VAL 69 -1.498 5.828 -19.953 494 HG22 VAL 69 HG22 VAL 69 -1.668 4.874 -18.481 495 HG23 VAL 69 HG23 VAL 69 -2.087 4.167 -20.040 496 H GLU 70 H GLU 70 -5.978 3.875 -19.067 497 HA GLU 70 HA GLU 70 -8.008 5.869 -18.833 498 HB2 GLU 70 HB2 GLU 70 -9.508 4.059 -19.701 499 HB3 GLU 70 HB3 GLU 70 -8.104 4.387 -20.708 500 HG2 GLU 70 HG2 GLU 70 -6.988 2.429 -19.902 501 HG3 GLU 70 HG3 GLU 70 -8.259 2.141 -18.714 502 H SER 71 H SER 71 -7.139 2.978 -17.040 503 HA SER 71 HA SER 71 -9.463 3.305 -15.291 504 HB2 SER 71 HB2 SER 71 -7.564 1.086 -15.875 505 HB3 SER 71 HB3 SER 71 -8.270 1.147 -14.260 506 HG SER 71 HG SER 71 -9.699 1.126 -16.716 507 H SER 72 H SER 72 -8.313 5.406 -14.660 508 HA SER 72 HA SER 72 -5.976 5.463 -13.154 509 HB2 SER 72 HB2 SER 72 -6.742 7.575 -13.736 510 HB3 SER 72 HB3 SER 72 -8.406 7.211 -13.284 511 HG SER 72 HG SER 72 -7.085 8.629 -11.842 512 H MET 73 H MET 73 -9.204 4.488 -12.278 513 HA MET 73 HA MET 73 -9.187 4.679 -9.536 514 HB2 MET 73 HB2 MET 73 -10.749 2.800 -9.512 515 HB3 MET 73 HB3 MET 73 -11.119 3.901 -10.832 516 HG2 MET 73 HG2 MET 73 -9.943 2.385 -12.380 517 HG3 MET 73 HG3 MET 73 -9.681 1.267 -11.045 518 HE1 MET 73 HE1 MET 73 -11.989 0.680 -9.448 519 HE2 MET 73 HE2 MET 73 -13.017 -0.376 -10.417 520 HE3 MET 73 HE3 MET 73 -11.266 -0.583 -10.445 521 H CYS 74 H CYS 74 -7.495 2.390 -11.573 522 HA CYS 74 HA CYS 74 -6.824 0.403 -9.788 523 HB2 CYS 74 HB2 CYS 74 -5.012 -0.138 -11.218 524 HB3 CYS 74 HB3 CYS 74 -6.250 0.554 -12.262 Start of MODEL 14 1 H1 SER 1 H SER 1 1.303 1.186 -2.165 2 HA SER 1 HA SER 1 4.061 0.710 -1.239 3 HB2 SER 1 HB2 SER 1 2.927 1.422 0.698 4 HB3 SER 1 HB3 SER 1 1.458 0.547 0.268 5 HG SER 1 HG SER 1 3.596 -0.296 1.685 6 H ASN 2 H ASN 2 0.910 -0.811 -1.857 7 HA ASN 2 HA ASN 2 1.816 -3.475 -1.738 8 HB2 ASN 2 HB2 ASN 2 -0.589 -2.127 -2.916 9 HB3 ASN 2 HB3 ASN 2 -0.291 -3.830 -3.253 10 HD21 ASN 2 HD21 ASN 2 -2.392 -3.997 -2.133 11 HD22 ASN 2 HD22 ASN 2 -2.382 -4.144 -0.412 12 H ARG 3 H ARG 3 1.955 -4.995 -3.551 13 HA ARG 3 HA ARG 3 3.791 -4.102 -5.510 14 HB2 ARG 3 HB2 ARG 3 2.251 -6.679 -5.202 15 HB3 ARG 3 HB3 ARG 3 3.424 -6.414 -6.485 16 HG2 ARG 3 HG2 ARG 3 4.083 -6.170 -3.562 17 HG3 ARG 3 HG3 ARG 3 4.282 -7.655 -4.494 18 HD2 ARG 3 HD2 ARG 3 5.886 -6.634 -5.928 19 HD3 ARG 3 HD3 ARG 3 5.547 -5.036 -5.265 20 HE ARG 3 HE ARG 3 6.497 -6.927 -3.318 21 HH11 ARG 3 HH11 ARG 3 7.406 -4.573 -5.715 22 HH12 ARG 3 HH12 ARG 3 8.957 -4.262 -5.009 23 HH21 ARG 3 HH21 ARG 3 8.536 -6.525 -2.378 24 HH22 ARG 3 HH22 ARG 3 9.599 -5.372 -3.112 25 H TRP 4 H TRP 4 0.337 -4.802 -5.583 26 HA TRP 4 HA TRP 4 -0.136 -4.768 -8.305 27 HB2 TRP 4 HB2 TRP 4 -1.947 -3.530 -6.224 28 HB3 TRP 4 HB3 TRP 4 -2.419 -4.192 -7.786 29 HD1 TRP 4 HD1 TRP 4 -2.881 -5.102 -4.437 30 HE1 TRP 4 HE1 TRP 4 -2.919 -7.647 -4.055 31 HE3 TRP 4 HE3 TRP 4 -0.717 -6.610 -8.816 32 HZ2 TRP 4 HZ2 TRP 4 -2.133 -9.984 -5.430 33 HZ3 TRP 4 HZ3 TRP 4 -0.396 -9.018 -9.205 34 HH2 TRP 4 HH2 TRP 4 -1.090 -10.668 -7.544 35 H ASN 5 H ASN 5 0.315 -2.066 -6.091 36 HA ASN 5 HA ASN 5 -0.498 0.023 -7.745 37 HB2 ASN 5 HB2 ASN 5 1.633 -0.064 -5.604 38 HB3 ASN 5 HB3 ASN 5 1.085 1.423 -6.372 39 HD21 ASN 5 HD21 ASN 5 0.361 2.227 -4.397 40 HD22 ASN 5 HD22 ASN 5 -1.089 1.651 -3.654 41 H LEU 6 H LEU 6 2.530 -1.751 -7.624 42 HA LEU 6 HA LEU 6 3.745 -0.014 -9.619 43 HB2 LEU 6 HB2 LEU 6 4.806 -2.490 -8.264 44 HB3 LEU 6 HB3 LEU 6 5.724 -1.429 -9.330 45 HG LEU 6 HG LEU 6 6.419 -0.817 -7.195 46 HD11 LEU 6 HD11 LEU 6 5.497 1.058 -8.683 47 HD12 LEU 6 HD12 LEU 6 5.797 1.418 -6.983 48 HD13 LEU 6 HD13 LEU 6 4.152 1.114 -7.543 49 HD21 LEU 6 HD21 LEU 6 5.237 -1.014 -5.286 50 HD22 LEU 6 HD22 LEU 6 4.208 -2.049 -6.275 51 HD23 LEU 6 HD23 LEU 6 3.763 -0.364 -6.003 52 H GLY 7 H GLY 7 1.438 -2.111 -9.940 53 HA2 GLY 7 HA2 GLY 7 0.718 -3.564 -11.568 54 HA3 GLY 7 HA3 GLY 7 1.778 -2.650 -12.629 55 H TYR 8 H TYR 8 2.921 -4.486 -9.874 56 HA TYR 8 HA TYR 8 4.900 -5.827 -11.323 57 HB2 TYR 8 HB2 TYR 8 5.145 -5.592 -8.954 58 HB3 TYR 8 HB3 TYR 8 3.633 -6.442 -8.652 59 HD1 TYR 8 HD1 TYR 8 6.598 -7.255 -10.780 60 HD2 TYR 8 HD2 TYR 8 4.089 -8.418 -7.547 61 HE1 TYR 8 HE1 TYR 8 7.832 -9.374 -10.591 62 HE2 TYR 8 HE2 TYR 8 5.318 -10.538 -7.347 63 HH TYR 8 HH TYR 8 7.932 -11.365 -9.598 64 H GLY 9 H GLY 9 1.706 -6.941 -10.233 65 HA2 GLY 9 HA2 GLY 9 1.833 -9.580 -11.064 66 HA3 GLY 9 HA3 GLY 9 0.357 -8.627 -11.015 67 H ILE 10 H ILE 10 0.990 -6.717 -12.970 68 HA ILE 10 HA ILE 10 0.129 -7.954 -15.294 69 HB ILE 10 HB ILE 10 1.751 -5.412 -15.112 70 HG12 ILE 10 HG12 ILE 10 -1.244 -5.846 -15.036 71 HG13 ILE 10 HG13 ILE 10 -0.239 -5.356 -13.675 72 HG21 ILE 10 HG21 ILE 10 1.586 -6.375 -17.381 73 HG22 ILE 10 HG22 ILE 10 -0.171 -6.321 -17.248 74 HG23 ILE 10 HG23 ILE 10 0.760 -4.824 -17.234 75 HD11 ILE 10 HD11 ILE 10 -1.437 -3.759 -15.743 76 HD12 ILE 10 HD12 ILE 10 -0.679 -3.261 -14.229 77 HD13 ILE 10 HD13 ILE 10 0.305 -3.500 -15.672 78 HA PRO 11 HA PRO 11 3.742 -10.037 -16.768 79 HB2 PRO 11 HB2 PRO 11 2.846 -10.551 -19.279 80 HB3 PRO 11 HB3 PRO 11 2.286 -11.442 -17.858 81 HG2 PRO 11 HG2 PRO 11 0.978 -9.174 -19.310 82 HG3 PRO 11 HG3 PRO 11 0.254 -10.663 -18.677 83 HD2 PRO 11 HD2 PRO 11 0.083 -8.293 -17.377 84 HD3 PRO 11 HD3 PRO 11 0.153 -9.848 -16.522 85 H HIS 12 H HIS 12 5.568 -9.039 -17.311 86 HA HIS 12 HA HIS 12 5.482 -7.000 -19.440 87 HB2 HIS 12 HB2 HIS 12 7.557 -7.078 -17.258 88 HB3 HIS 12 HB3 HIS 12 7.149 -5.744 -18.333 89 HD1 HIS 12 HD1 HIS 12 6.905 -6.430 -14.971 90 HD2 HIS 12 HD2 HIS 12 4.082 -5.233 -17.776 91 HE1 HIS 12 HE1 HIS 12 5.040 -5.387 -13.645 92 H LYS 13 H LYS 13 7.495 -6.767 -20.679 93 HA LYS 13 HA LYS 13 8.876 -9.355 -20.970 94 HB2 LYS 13 HB2 LYS 13 9.144 -8.827 -23.347 95 HB3 LYS 13 HB3 LYS 13 7.445 -8.838 -22.888 96 HG2 LYS 13 HG2 LYS 13 7.697 -6.303 -22.627 97 HG3 LYS 13 HG3 LYS 13 9.199 -6.499 -23.533 98 HD2 LYS 13 HD2 LYS 13 8.032 -7.400 -25.413 99 HD3 LYS 13 HD3 LYS 13 6.525 -7.500 -24.498 100 HE2 LYS 13 HE2 LYS 13 6.305 -5.139 -24.441 101 HE3 LYS 13 HE3 LYS 13 7.951 -4.902 -25.027 102 HZ1 LYS 13 HZ1 LYS 13 7.221 -6.023 -27.118 103 HZ2 LYS 13 HZ2 LYS 13 6.495 -4.523 -26.835 104 HZ3 LYS 13 HZ3 LYS 13 5.631 -5.949 -26.547 105 H GLN 14 H GLN 14 10.977 -9.346 -20.539 106 HA GLN 14 HA GLN 14 12.362 -6.924 -19.938 107 HB2 GLN 14 HB2 GLN 14 12.758 -9.131 -18.809 108 HB3 GLN 14 HB3 GLN 14 13.535 -9.685 -20.286 109 HG2 GLN 14 HG2 GLN 14 15.313 -9.036 -18.959 110 HG3 GLN 14 HG3 GLN 14 15.060 -7.641 -20.008 111 HE21 GLN 14 HE21 GLN 14 16.451 -7.160 -17.829 112 HE22 GLN 14 HE22 GLN 14 15.523 -6.321 -16.639 113 H VAL 15 H VAL 15 13.894 -5.839 -21.087 114 HA VAL 15 HA VAL 15 14.863 -6.902 -23.609 115 HB VAL 15 HB VAL 15 14.238 -4.750 -24.797 116 HG11 VAL 15 HG11 VAL 15 11.850 -6.393 -23.999 117 HG12 VAL 15 HG12 VAL 15 12.178 -5.615 -25.549 118 HG13 VAL 15 HG13 VAL 15 13.123 -7.018 -25.047 119 HG21 VAL 15 HG21 VAL 15 13.441 -3.915 -22.335 120 HG22 VAL 15 HG22 VAL 15 12.917 -3.195 -23.856 121 HG23 VAL 15 HG23 VAL 15 11.904 -4.397 -23.055 122 H LYS 16 H LYS 16 16.779 -5.984 -24.289 123 HA LYS 16 HA LYS 16 18.340 -4.681 -22.303 124 HB2 LYS 16 HB2 LYS 16 19.007 -4.959 -25.234 125 HB3 LYS 16 HB3 LYS 16 20.132 -4.745 -23.900 126 HG2 LYS 16 HG2 LYS 16 19.244 -6.970 -23.022 127 HG3 LYS 16 HG3 LYS 16 18.529 -7.173 -24.624 128 HD2 LYS 16 HD2 LYS 16 20.555 -8.222 -24.909 129 HD3 LYS 16 HD3 LYS 16 20.948 -6.586 -25.442 130 HE2 LYS 16 HE2 LYS 16 22.697 -6.955 -24.022 131 HE3 LYS 16 HE3 LYS 16 21.534 -6.277 -22.884 132 HZ1 LYS 16 HZ1 LYS 16 22.199 -9.138 -23.293 133 HZ2 LYS 16 HZ2 LYS 16 20.874 -8.617 -22.380 134 HZ3 LYS 16 HZ3 LYS 16 22.443 -8.209 -21.899 135 H LEU 17 H LEU 17 18.773 -2.580 -21.982 136 HA LEU 17 HA LEU 17 17.347 -0.634 -23.606 137 HB2 LEU 17 HB2 LEU 17 18.859 -0.452 -21.013 138 HB3 LEU 17 HB3 LEU 17 18.226 0.966 -21.846 139 HG LEU 17 HG LEU 17 16.327 -1.232 -21.221 140 HD11 LEU 17 HD11 LEU 17 17.593 0.569 -19.181 141 HD12 LEU 17 HD12 LEU 17 17.372 -1.179 -19.124 142 HD13 LEU 17 HD13 LEU 17 15.979 -0.109 -18.964 143 HD21 LEU 17 HD21 LEU 17 16.165 1.779 -21.150 144 HD22 LEU 17 HD22 LEU 17 14.824 0.670 -20.865 145 HD23 LEU 17 HD23 LEU 17 15.593 0.736 -22.451 146 HA PRO 18 HA PRO 18 20.780 0.850 -25.903 147 HB2 PRO 18 HB2 PRO 18 20.266 3.513 -26.007 148 HB3 PRO 18 HB3 PRO 18 19.331 2.318 -26.912 149 HG2 PRO 18 HG2 PRO 18 18.679 3.664 -24.320 150 HG3 PRO 18 HG3 PRO 18 17.624 3.341 -25.708 151 HD2 PRO 18 HD2 PRO 18 17.613 1.801 -23.480 152 HD3 PRO 18 HD3 PRO 18 17.282 1.145 -25.096 153 H ASN 19 H ASN 19 20.284 1.827 -22.670 154 HA ASN 19 HA ASN 19 22.592 3.533 -22.463 155 HB2 ASN 19 HB2 ASN 19 21.038 2.219 -20.226 156 HB3 ASN 19 HB3 ASN 19 22.095 3.622 -20.104 157 HD21 ASN 19 HD21 ASN 19 19.020 2.813 -19.971 158 HD22 ASN 19 HD22 ASN 19 18.273 4.211 -20.656 159 H GLY 20 H GLY 20 21.993 0.158 -22.357 160 HA2 GLY 20 HA2 GLY 20 23.923 -1.304 -22.594 161 HA3 GLY 20 HA3 GLY 20 24.769 -0.272 -21.451 162 H GLN 21 H GLN 21 22.195 -0.150 -19.836 163 HA GLN 21 HA GLN 21 22.686 -2.640 -18.376 164 HB2 GLN 21 HB2 GLN 21 21.157 -0.198 -17.465 165 HB3 GLN 21 HB3 GLN 21 21.677 -1.549 -16.468 166 HG2 GLN 21 HG2 GLN 21 23.561 0.298 -17.910 167 HG3 GLN 21 HG3 GLN 21 23.055 0.507 -16.235 168 HE21 GLN 21 HE21 GLN 21 23.385 -1.486 -14.853 169 HE22 GLN 21 HE22 GLN 21 24.881 -2.325 -15.058 170 H LEU 22 H LEU 22 20.731 -3.581 -17.244 171 HA LEU 22 HA LEU 22 18.667 -4.016 -19.239 172 HB2 LEU 22 HB2 LEU 22 19.350 -5.331 -16.628 173 HB3 LEU 22 HB3 LEU 22 17.869 -5.708 -17.504 174 HG LEU 22 HG LEU 22 20.691 -6.147 -18.481 175 HD11 LEU 22 HD11 LEU 22 20.322 -8.438 -18.163 176 HD12 LEU 22 HD12 LEU 22 18.586 -8.219 -17.943 177 HD13 LEU 22 HD13 LEU 22 19.707 -7.680 -16.693 178 HD21 LEU 22 HD21 LEU 22 19.306 -5.556 -20.349 179 HD22 LEU 22 HD22 LEU 22 18.032 -6.649 -19.810 180 HD23 LEU 22 HD23 LEU 22 19.571 -7.299 -20.377 181 H CYS 23 H CYS 23 16.388 -3.991 -18.676 182 HA CYS 23 HA CYS 23 15.490 -1.588 -17.673 183 HB2 CYS 23 HB2 CYS 23 14.079 -4.253 -17.847 184 HB3 CYS 23 HB3 CYS 23 13.259 -2.753 -17.425 185 H LYS 24 H LYS 24 13.957 -1.331 -15.764 186 HA LYS 24 HA LYS 24 15.299 -2.398 -13.384 187 HB2 LYS 24 HB2 LYS 24 13.739 0.088 -13.959 188 HB3 LYS 24 HB3 LYS 24 13.812 -0.513 -12.307 189 HG2 LYS 24 HG2 LYS 24 16.251 0.040 -13.975 190 HG3 LYS 24 HG3 LYS 24 15.515 1.224 -12.894 191 HD2 LYS 24 HD2 LYS 24 16.312 0.213 -11.044 192 HD3 LYS 24 HD3 LYS 24 16.028 -1.407 -11.687 193 HE2 LYS 24 HE2 LYS 24 18.415 -0.969 -11.352 194 HE3 LYS 24 HE3 LYS 24 18.032 -1.235 -13.053 195 HZ1 LYS 24 HZ1 LYS 24 18.999 0.693 -13.486 196 HZ2 LYS 24 HZ2 LYS 24 19.234 1.012 -11.843 197 HZ3 LYS 24 HZ3 LYS 24 17.798 1.489 -12.599 198 H GLU 25 H GLU 25 14.022 -3.053 -11.547 199 HA GLU 25 HA GLU 25 11.637 -4.502 -12.373 200 HB2 GLU 25 HB2 GLU 25 12.958 -4.557 -9.662 201 HB3 GLU 25 HB3 GLU 25 11.861 -5.747 -10.348 202 HG2 GLU 25 HG2 GLU 25 14.056 -5.509 -12.110 203 HG3 GLU 25 HG3 GLU 25 14.697 -5.646 -10.475 204 HA PRO 26 HA PRO 26 8.700 -1.799 -10.549 205 HB2 PRO 26 HB2 PRO 26 6.813 -3.563 -9.719 206 HB3 PRO 26 HB3 PRO 26 7.078 -3.170 -11.422 207 HG2 PRO 26 HG2 PRO 26 8.041 -5.529 -9.851 208 HG3 PRO 26 HG3 PRO 26 7.366 -5.477 -11.490 209 HD2 PRO 26 HD2 PRO 26 10.026 -5.649 -11.015 210 HD3 PRO 26 HD3 PRO 26 9.360 -4.801 -12.425 211 H GLY 27 H GLY 27 9.206 -0.759 -8.713 212 HA2 GLY 27 HA2 GLY 27 8.703 -0.531 -6.366 213 HA3 GLY 27 HA3 GLY 27 8.966 -2.260 -6.189 214 H ASP 28 H ASP 28 11.404 -2.244 -7.800 215 HA ASP 28 HA ASP 28 13.243 -1.596 -5.696 216 HB2 ASP 28 HB2 ASP 28 13.521 -2.772 -8.447 217 HB3 ASP 28 HB3 ASP 28 14.944 -2.301 -7.522 218 H SER 29 H SER 29 14.942 -0.098 -5.755 219 HA SER 29 HA SER 29 14.324 2.426 -6.781 220 HB2 SER 29 HB2 SER 29 16.450 3.136 -5.962 221 HB3 SER 29 HB3 SER 29 15.888 1.883 -4.855 222 HG SER 29 HG SER 29 18.059 1.904 -6.527 223 H CYS 30 H CYS 30 15.388 3.692 -8.396 224 HA CYS 30 HA CYS 30 16.668 2.114 -10.528 225 HB2 CYS 30 HB2 CYS 30 14.861 4.425 -11.165 226 HB3 CYS 30 HB3 CYS 30 15.357 3.088 -12.199 227 H SER 31 H SER 31 17.593 3.754 -12.241 228 HA SER 31 HA SER 31 19.156 5.730 -10.720 229 HB2 SER 31 HB2 SER 31 20.079 3.652 -12.245 230 HB3 SER 31 HB3 SER 31 20.133 4.989 -13.394 231 HG SER 31 HG SER 31 21.520 4.650 -10.982 232 H LYS 32 H LYS 32 17.159 5.225 -13.541 233 HA LYS 32 HA LYS 32 16.726 8.069 -13.778 234 HB2 LYS 32 HB2 LYS 32 18.167 6.497 -15.896 235 HB3 LYS 32 HB3 LYS 32 17.219 7.918 -16.310 236 HG2 LYS 32 HG2 LYS 32 18.604 9.206 -14.666 237 HG3 LYS 32 HG3 LYS 32 19.635 7.781 -14.525 238 HD2 LYS 32 HD2 LYS 32 20.769 8.882 -16.166 239 HD3 LYS 32 HD3 LYS 32 19.628 7.990 -17.175 240 HE2 LYS 32 HE2 LYS 32 18.282 9.874 -17.512 241 HE3 LYS 32 HE3 LYS 32 18.988 10.735 -16.146 242 HZ1 LYS 32 HZ1 LYS 32 21.003 10.110 -18.017 243 HZ2 LYS 32 HZ2 LYS 32 20.481 11.631 -17.491 244 HZ3 LYS 32 HZ3 LYS 32 19.730 10.893 -18.816 245 H ARG 33 H ARG 33 14.902 8.598 -15.078 246 HA ARG 33 HA ARG 33 12.757 6.850 -14.891 247 HB2 ARG 33 HB2 ARG 33 12.582 9.312 -15.192 248 HB3 ARG 33 HB3 ARG 33 13.063 9.114 -16.872 249 HG2 ARG 33 HG2 ARG 33 10.822 7.412 -16.177 250 HG3 ARG 33 HG3 ARG 33 10.486 9.120 -15.886 251 HD2 ARG 33 HD2 ARG 33 10.729 9.685 -18.105 252 HD3 ARG 33 HD3 ARG 33 11.777 8.309 -18.448 253 HE ARG 33 HE ARG 33 9.918 7.042 -18.891 254 HH11 ARG 33 HH11 ARG 33 8.958 9.970 -17.271 255 HH12 ARG 33 HH12 ARG 33 7.264 9.709 -17.523 256 HH21 ARG 33 HH21 ARG 33 7.690 6.686 -19.228 257 HH22 ARG 33 HH22 ARG 33 6.544 7.840 -18.635 258 H ASP 34 H ASP 34 15.108 7.256 -17.446 259 HA ASP 34 HA ASP 34 13.720 5.828 -19.460 260 HB2 ASP 34 HB2 ASP 34 16.656 6.412 -19.058 261 HB3 ASP 34 HB3 ASP 34 16.021 5.591 -20.482 262 H GLU 35 H GLU 35 15.489 4.846 -16.675 263 HA GLU 35 HA GLU 35 16.278 2.266 -17.497 264 HB2 GLU 35 HB2 GLU 35 15.605 3.253 -14.719 265 HB3 GLU 35 HB3 GLU 35 16.479 1.775 -15.095 266 HG2 GLU 35 HG2 GLU 35 17.390 4.580 -15.691 267 HG3 GLU 35 HG3 GLU 35 18.000 3.529 -14.413 268 H CYS 36 H CYS 36 13.264 3.553 -16.291 269 HA CYS 36 HA CYS 36 12.030 1.090 -15.642 270 HB2 CYS 36 HB2 CYS 36 11.352 3.604 -15.136 271 HB3 CYS 36 HB3 CYS 36 10.403 3.400 -16.605 272 H CYS 37 H CYS 37 11.310 -0.467 -16.924 273 HA CYS 37 HA CYS 37 11.414 -0.218 -19.769 274 HB2 CYS 37 HB2 CYS 37 11.378 -2.327 -17.910 275 HB3 CYS 37 HB3 CYS 37 9.928 -2.531 -18.888 276 H LYS 38 H LYS 38 9.273 -1.583 -20.736 277 HA LYS 38 HA LYS 38 6.959 0.088 -20.003 278 HB2 LYS 38 HB2 LYS 38 7.539 -0.850 -22.808 279 HB3 LYS 38 HB3 LYS 38 6.363 0.351 -22.290 280 HG2 LYS 38 HG2 LYS 38 8.500 1.601 -21.419 281 HG3 LYS 38 HG3 LYS 38 9.308 0.597 -22.626 282 HD2 LYS 38 HD2 LYS 38 6.983 1.650 -23.841 283 HD3 LYS 38 HD3 LYS 38 7.780 2.983 -23.002 284 HE2 LYS 38 HE2 LYS 38 8.962 3.100 -24.924 285 HE3 LYS 38 HE3 LYS 38 9.916 1.838 -24.148 286 HZ1 LYS 38 HZ1 LYS 38 7.734 1.441 -26.120 287 HZ2 LYS 38 HZ2 LYS 38 8.531 0.189 -25.310 288 HZ3 LYS 38 HZ3 LYS 38 9.385 1.186 -26.378 289 H ALA 39 H ALA 39 5.293 -1.073 -19.322 290 HA ALA 39 HA ALA 39 5.172 -3.824 -19.185 291 HB1 ALA 39 HB1 ALA 39 3.030 -3.589 -18.358 292 HB2 ALA 39 HB2 ALA 39 3.712 -1.990 -18.059 293 HB3 ALA 39 HB3 ALA 39 2.645 -2.251 -19.439 294 H ASP 40 H ASP 40 3.824 -5.375 -20.282 295 HA ASP 40 HA ASP 40 4.176 -5.503 -23.012 296 HB2 ASP 40 HB2 ASP 40 2.238 -6.862 -21.161 297 HB3 ASP 40 HB3 ASP 40 2.184 -7.166 -22.896 298 H ASP 41 H ASP 41 1.375 -4.301 -21.216 299 HA ASP 41 HA ASP 41 0.151 -3.438 -23.740 300 HB2 ASP 41 HB2 ASP 41 -1.002 -4.734 -21.662 301 HB3 ASP 41 HB3 ASP 41 -1.321 -3.063 -21.201 302 H GLN 42 H GLN 42 2.345 -1.978 -23.085 303 HA GLN 42 HA GLN 42 2.084 0.205 -21.422 304 HB2 GLN 42 HB2 GLN 42 3.665 1.359 -22.963 305 HB3 GLN 42 HB3 GLN 42 4.176 -0.263 -22.515 306 HG2 GLN 42 HG2 GLN 42 2.812 -0.787 -24.783 307 HG3 GLN 42 HG3 GLN 42 3.422 0.830 -25.134 308 HE21 GLN 42 HE21 GLN 42 5.529 1.103 -25.611 309 HE22 GLN 42 HE22 GLN 42 6.687 -0.175 -25.677 310 H LYS 43 H LYS 43 0.609 -0.380 -24.522 311 HA LYS 43 HA LYS 43 -0.112 2.191 -25.283 312 HB2 LYS 43 HB2 LYS 43 -1.625 -0.401 -25.635 313 HB3 LYS 43 HB3 LYS 43 -2.020 1.097 -26.467 314 HG2 LYS 43 HG2 LYS 43 0.573 -0.417 -26.703 315 HG3 LYS 43 HG3 LYS 43 -0.737 -0.407 -27.887 316 HD2 LYS 43 HD2 LYS 43 -0.395 2.190 -27.785 317 HD3 LYS 43 HD3 LYS 43 1.201 1.750 -27.175 318 HE2 LYS 43 HE2 LYS 43 1.788 0.662 -29.150 319 HE3 LYS 43 HE3 LYS 43 0.111 0.499 -29.671 320 HZ1 LYS 43 HZ1 LYS 43 0.282 2.393 -30.773 321 HZ2 LYS 43 HZ2 LYS 43 1.916 2.500 -30.350 322 HZ3 LYS 43 HZ3 LYS 43 0.741 3.227 -29.375 323 H THR 44 H THR 44 -1.451 0.123 -22.814 324 HA THR 44 HA THR 44 -3.532 2.132 -22.262 325 HB THR 44 HB THR 44 -4.470 0.221 -20.779 326 HG1 THR 44 HG1 THR 44 -2.896 -1.298 -22.609 327 HG21 THR 44 HG21 THR 44 -5.169 -0.905 -23.183 328 HG22 THR 44 HG22 THR 44 -4.673 0.721 -23.653 329 HG23 THR 44 HG23 THR 44 -5.943 0.498 -22.449 330 H TYR 45 H TYR 45 -0.923 0.243 -20.851 331 HA TYR 45 HA TYR 45 -1.267 1.619 -18.290 332 HB2 TYR 45 HB2 TYR 45 0.736 -0.550 -18.900 333 HB3 TYR 45 HB3 TYR 45 0.134 -0.039 -17.328 334 HD1 TYR 45 HD1 TYR 45 -2.813 0.072 -18.058 335 HD2 TYR 45 HD2 TYR 45 0.189 -2.852 -18.794 336 HE1 TYR 45 HE1 TYR 45 -4.545 -1.673 -18.148 337 HE2 TYR 45 HE2 TYR 45 -1.534 -4.606 -18.888 338 HH TYR 45 HH TYR 45 -3.995 -4.745 -19.373 339 H SER 46 H SER 46 0.203 3.027 -17.468 340 HA SER 46 HA SER 46 2.309 3.916 -19.305 341 HB2 SER 46 HB2 SER 46 0.438 5.438 -18.203 342 HB3 SER 46 HB3 SER 46 1.581 5.468 -16.859 343 HG SER 46 HG SER 46 2.560 6.952 -17.964 344 H SER 47 H SER 47 4.372 3.511 -18.879 345 HA SER 47 HA SER 47 5.078 2.524 -16.204 346 HB2 SER 47 HB2 SER 47 7.039 1.513 -17.277 347 HB3 SER 47 HB3 SER 47 5.558 1.005 -18.087 348 HG SER 47 HG SER 47 7.529 2.817 -18.960 349 H GLY 48 H GLY 48 6.780 3.382 -15.044 350 HA2 GLY 48 HA2 GLY 48 8.639 5.259 -16.004 351 HA3 GLY 48 HA3 GLY 48 7.277 6.134 -15.318 352 H CYS 49 H CYS 49 9.946 6.224 -14.347 353 HA CYS 49 HA CYS 49 9.563 5.001 -11.694 354 HB2 CYS 49 HB2 CYS 49 11.441 4.046 -13.196 355 HB3 CYS 49 HB3 CYS 49 12.282 5.555 -12.855 356 H ALA 50 H ALA 50 8.968 6.624 -10.401 357 HA ALA 50 HA ALA 50 10.602 9.075 -10.436 358 HB1 ALA 50 HB1 ALA 50 7.614 8.858 -10.120 359 HB2 ALA 50 HB2 ALA 50 8.538 10.315 -9.755 360 HB3 ALA 50 HB3 ALA 50 8.507 9.679 -11.400 361 H GLN 51 H GLN 51 10.760 10.186 -8.394 362 HA GLN 51 HA GLN 51 11.320 8.506 -6.236 363 HB2 GLN 51 HB2 GLN 51 10.713 11.464 -6.117 364 HB3 GLN 51 HB3 GLN 51 11.611 10.532 -4.926 365 HG2 GLN 51 HG2 GLN 51 13.427 10.215 -6.406 366 HG3 GLN 51 HG3 GLN 51 12.502 10.817 -7.779 367 HE21 GLN 51 HE21 GLN 51 14.050 12.377 -8.246 368 HE22 GLN 51 HE22 GLN 51 14.249 13.793 -7.278 369 H THR 52 H THR 52 10.212 7.880 -4.446 370 HA THR 52 HA THR 52 7.550 8.954 -3.941 371 HB THR 52 HB THR 52 6.546 6.691 -3.792 372 HG1 THR 52 HG1 THR 52 8.998 5.889 -5.009 373 HG21 THR 52 HG21 THR 52 6.173 7.996 -5.800 374 HG22 THR 52 HG22 THR 52 6.372 6.297 -6.230 375 HG23 THR 52 HG23 THR 52 7.697 7.432 -6.484 376 H TRP 53 H TRP 53 7.219 9.192 -1.827 377 HA TRP 53 HA TRP 53 9.128 8.719 0.108 378 HB2 TRP 53 HB2 TRP 53 7.335 10.262 0.533 379 HB3 TRP 53 HB3 TRP 53 6.130 8.986 0.385 380 HD1 TRP 53 HD1 TRP 53 5.670 7.487 2.501 381 HE1 TRP 53 HE1 TRP 53 6.404 7.642 4.963 382 HE3 TRP 53 HE3 TRP 53 9.365 10.989 2.029 383 HZ2 TRP 53 HZ2 TRP 53 8.299 9.060 6.501 384 HZ3 TRP 53 HZ3 TRP 53 10.589 11.690 4.044 385 HH2 TRP 53 HH2 TRP 53 10.065 10.745 6.233 386 H SER 54 H SER 54 9.982 6.830 0.668 387 HA SER 54 HA SER 54 8.245 4.463 0.794 388 HB2 SER 54 HB2 SER 54 10.400 4.520 -0.630 389 HB3 SER 54 HB3 SER 54 11.253 4.401 0.909 390 HG SER 54 HG SER 54 9.621 2.528 -0.380 391 H ALA 55 H ALA 55 7.640 3.730 2.712 392 HA ALA 55 HA ALA 55 8.658 4.872 5.133 393 HB1 ALA 55 HB1 ALA 55 6.863 2.471 4.979 394 HB2 ALA 55 HB2 ALA 55 6.960 3.699 6.243 395 HB3 ALA 55 HB3 ALA 55 6.268 4.103 4.671 396 H MET 56 H MET 56 8.871 1.693 3.574 397 HA MET 56 HA MET 56 10.257 0.366 5.614 398 HB2 MET 56 HB2 MET 56 10.224 -0.056 2.626 399 HB3 MET 56 HB3 MET 56 11.050 -1.138 3.737 400 HG2 MET 56 HG2 MET 56 8.699 -1.188 4.913 401 HG3 MET 56 HG3 MET 56 8.143 -0.710 3.310 402 HE1 MET 56 HE1 MET 56 9.789 -4.490 4.935 403 HE2 MET 56 HE2 MET 56 11.126 -3.809 4.006 404 HE3 MET 56 HE3 MET 56 10.365 -2.859 5.284 405 H GLU 57 H GLU 57 11.510 2.007 2.711 406 HA GLU 57 HA GLU 57 14.241 1.651 3.469 407 HB2 GLU 57 HB2 GLU 57 13.191 3.680 1.501 408 HB3 GLU 57 HB3 GLU 57 14.786 2.944 1.544 409 HG2 GLU 57 HG2 GLU 57 13.412 0.729 1.221 410 HG3 GLU 57 HG3 GLU 57 12.210 1.837 0.563 411 H GLY 58 H GLY 58 11.842 4.165 3.911 412 HA2 GLY 58 HA2 GLY 58 11.834 5.926 5.404 413 HA3 GLY 58 HA3 GLY 58 13.393 5.373 5.996 414 H GLY 59 H GLY 59 12.729 6.144 2.635 415 HA2 GLY 59 HA2 GLY 59 13.728 8.813 2.749 416 HA3 GLY 59 HA3 GLY 59 14.978 7.692 2.229 417 H PHE 60 H PHE 60 13.547 9.901 0.818 418 HA PHE 60 HA PHE 60 11.739 8.940 -1.069 419 HB2 PHE 60 HB2 PHE 60 13.694 11.219 -1.073 420 HB3 PHE 60 HB3 PHE 60 12.744 10.859 -2.510 421 HD1 PHE 60 HD1 PHE 60 12.842 12.666 0.495 422 HD2 PHE 60 HD2 PHE 60 10.165 10.621 -2.105 423 HE1 PHE 60 HE1 PHE 60 10.961 13.950 1.426 424 HE2 PHE 60 HE2 PHE 60 8.279 11.902 -1.179 425 HZ PHE 60 HZ PHE 60 8.677 13.570 0.588 426 H VAL 61 H VAL 61 11.938 7.506 -2.646 427 HA VAL 61 HA VAL 61 14.473 7.265 -4.082 428 HB VAL 61 HB VAL 61 14.282 4.755 -3.994 429 HG11 VAL 61 HG11 VAL 61 15.818 4.746 -2.362 430 HG12 VAL 61 HG12 VAL 61 15.577 6.494 -2.338 431 HG13 VAL 61 HG13 VAL 61 14.716 5.470 -1.190 432 HG21 VAL 61 HG21 VAL 61 11.851 5.269 -2.807 433 HG22 VAL 61 HG22 VAL 61 12.673 3.710 -2.848 434 HG23 VAL 61 HG23 VAL 61 12.863 4.769 -1.452 435 H ARG 62 H ARG 62 14.273 6.611 -6.200 436 HA ARG 62 HA ARG 62 11.610 6.804 -7.318 437 HB2 ARG 62 HB2 ARG 62 14.247 6.371 -8.731 438 HB3 ARG 62 HB3 ARG 62 12.726 6.843 -9.475 439 HG2 ARG 62 HG2 ARG 62 12.813 8.991 -8.585 440 HG3 ARG 62 HG3 ARG 62 13.993 8.533 -7.355 441 HD2 ARG 62 HD2 ARG 62 15.333 9.650 -8.847 442 HD3 ARG 62 HD3 ARG 62 15.494 7.994 -9.431 443 HE ARG 62 HE ARG 62 13.352 9.194 -10.768 444 HH11 ARG 62 HH11 ARG 62 16.815 9.459 -10.539 445 HH12 ARG 62 HH12 ARG 62 17.007 10.051 -12.156 446 HH21 ARG 62 HH21 ARG 62 13.592 9.973 -12.898 447 HH22 ARG 62 HH22 ARG 62 15.172 10.344 -13.497 448 H GLU 63 H GLU 63 10.361 5.058 -7.377 449 HA GLU 63 HA GLU 63 11.610 2.459 -7.976 450 HB2 GLU 63 HB2 GLU 63 9.749 1.410 -6.772 451 HB3 GLU 63 HB3 GLU 63 10.638 2.519 -5.738 452 HG2 GLU 63 HG2 GLU 63 8.884 4.236 -6.216 453 HG3 GLU 63 HG3 GLU 63 7.965 2.974 -7.035 454 H CYS 64 H CYS 64 10.905 1.325 -9.690 455 HA CYS 64 HA CYS 64 9.379 2.567 -11.694 456 HB2 CYS 64 HB2 CYS 64 11.087 0.675 -11.933 457 HB3 CYS 64 HB3 CYS 64 9.780 -0.412 -11.471 458 H TYR 65 H TYR 65 7.261 2.600 -12.148 459 HA TYR 65 HA TYR 65 5.479 0.787 -10.671 460 HB2 TYR 65 HB2 TYR 65 3.874 2.688 -10.414 461 HB3 TYR 65 HB3 TYR 65 5.360 2.881 -9.491 462 HD1 TYR 65 HD1 TYR 65 3.673 3.921 -12.634 463 HD2 TYR 65 HD2 TYR 65 6.700 4.787 -9.771 464 HE1 TYR 65 HE1 TYR 65 4.032 6.113 -13.687 465 HE2 TYR 65 HE2 TYR 65 7.066 6.984 -10.817 466 HH TYR 65 HH TYR 65 5.102 8.525 -12.596 467 H ILE 66 H ILE 66 3.549 0.236 -11.718 468 HA ILE 66 HA ILE 66 3.224 1.173 -14.478 469 HB ILE 66 HB ILE 66 3.238 -1.732 -13.652 470 HG12 ILE 66 HG12 ILE 66 5.000 -0.390 -15.696 471 HG13 ILE 66 HG13 ILE 66 5.458 -0.493 -13.999 472 HG21 ILE 66 HG21 ILE 66 1.532 -1.521 -15.258 473 HG22 ILE 66 HG22 ILE 66 2.466 -0.378 -16.220 474 HG23 ILE 66 HG23 ILE 66 2.947 -2.073 -16.155 475 HD11 ILE 66 HD11 ILE 66 6.512 -2.275 -15.166 476 HD12 ILE 66 HD12 ILE 66 5.232 -2.967 -14.170 477 HD13 ILE 66 HD13 ILE 66 4.989 -2.768 -15.906 478 H CYS 67 H CYS 67 1.264 2.038 -14.556 479 HA CYS 67 HA CYS 67 -0.993 0.512 -13.484 480 HB2 CYS 67 HB2 CYS 67 -0.056 3.120 -12.527 481 HB3 CYS 67 HB3 CYS 67 -1.762 3.102 -12.963 482 H ALA 68 H ALA 68 -3.110 1.415 -14.282 483 HA ALA 68 HA ALA 68 -2.912 1.837 -17.125 484 HB1 ALA 68 HB1 ALA 68 -5.580 2.086 -15.998 485 HB2 ALA 68 HB2 ALA 68 -4.957 0.951 -17.197 486 HB3 ALA 68 HB3 ALA 68 -4.753 0.617 -15.477 487 H VAL 69 H VAL 69 -3.821 3.586 -18.285 488 HA VAL 69 HA VAL 69 -3.424 6.133 -17.023 489 HB VAL 69 HB VAL 69 -4.553 5.633 -19.774 490 HG11 VAL 69 HG11 VAL 69 -4.062 7.828 -20.260 491 HG12 VAL 69 HG12 VAL 69 -4.544 7.952 -18.567 492 HG13 VAL 69 HG13 VAL 69 -2.833 7.944 -19.000 493 HG21 VAL 69 HG21 VAL 69 -2.606 4.705 -20.321 494 HG22 VAL 69 HG22 VAL 69 -1.851 6.269 -20.016 495 HG23 VAL 69 HG23 VAL 69 -1.921 5.060 -18.736 496 H GLU 70 H GLU 70 -6.209 4.424 -18.418 497 HA GLU 70 HA GLU 70 -8.044 6.501 -17.625 498 HB2 GLU 70 HB2 GLU 70 -9.782 4.904 -18.447 499 HB3 GLU 70 HB3 GLU 70 -8.549 5.295 -19.638 500 HG2 GLU 70 HG2 GLU 70 -7.460 3.191 -19.291 501 HG3 GLU 70 HG3 GLU 70 -8.530 2.810 -17.944 502 H SER 71 H SER 71 -7.041 3.354 -16.436 503 HA SER 71 HA SER 71 -8.979 3.516 -14.247 504 HB2 SER 71 HB2 SER 71 -7.389 1.320 -15.485 505 HB3 SER 71 HB3 SER 71 -7.798 1.172 -13.776 506 HG SER 71 HG SER 71 -9.838 0.895 -14.277 507 H SER 72 H SER 72 -8.418 3.930 -12.191 508 HA SER 72 HA SER 72 -5.627 4.627 -11.675 509 HB2 SER 72 HB2 SER 72 -7.681 6.127 -11.128 510 HB3 SER 72 HB3 SER 72 -7.877 5.068 -9.732 511 HG SER 72 HG SER 72 -6.571 6.664 -9.028 512 H MET 73 H MET 73 -8.164 2.466 -10.551 513 HA MET 73 HA MET 73 -6.476 1.371 -8.462 514 HB2 MET 73 HB2 MET 73 -9.301 0.903 -9.357 515 HB3 MET 73 HB3 MET 73 -8.509 -0.252 -8.294 516 HG2 MET 73 HG2 MET 73 -8.116 1.513 -6.658 517 HG3 MET 73 HG3 MET 73 -8.895 2.677 -7.725 518 HE1 MET 73 HE1 MET 73 -9.909 3.064 -5.295 519 HE2 MET 73 HE2 MET 73 -11.394 2.271 -4.766 520 HE3 MET 73 HE3 MET 73 -9.829 1.530 -4.428 521 H CYS 74 H CYS 74 -5.109 1.010 -10.702 522 HA CYS 74 HA CYS 74 -5.613 -1.211 -12.289 523 HB2 CYS 74 HB2 CYS 74 -3.254 -1.200 -12.828 524 HB3 CYS 74 HB3 CYS 74 -3.816 0.464 -12.691 Start of MODEL 15 1 H1 SER 1 H SER 1 0.166 1.212 -1.969 2 HA SER 1 HA SER 1 2.874 0.729 -1.289 3 HB2 SER 1 HB2 SER 1 1.689 -0.594 0.652 4 HB3 SER 1 HB3 SER 1 1.569 1.165 0.578 5 HG SER 1 HG SER 1 -0.486 1.018 -0.065 6 H ASN 2 H ASN 2 0.167 -1.478 -1.983 7 HA ASN 2 HA ASN 2 1.701 -3.846 -1.793 8 HB2 ASN 2 HB2 ASN 2 -0.918 -3.421 -1.851 9 HB3 ASN 2 HB3 ASN 2 -0.696 -3.740 -3.568 10 HD21 ASN 2 HD21 ASN 2 -2.274 -5.407 -2.235 11 HD22 ASN 2 HD22 ASN 2 -1.502 -6.932 -1.975 12 H ARG 3 H ARG 3 1.986 -5.373 -3.671 13 HA ARG 3 HA ARG 3 3.693 -4.213 -5.585 14 HB2 ARG 3 HB2 ARG 3 2.529 -6.924 -5.149 15 HB3 ARG 3 HB3 ARG 3 3.265 -6.577 -6.709 16 HG2 ARG 3 HG2 ARG 3 5.046 -7.447 -5.571 17 HG3 ARG 3 HG3 ARG 3 5.257 -5.727 -5.244 18 HD2 ARG 3 HD2 ARG 3 5.544 -6.842 -3.175 19 HD3 ARG 3 HD3 ARG 3 3.952 -6.086 -3.120 20 HE ARG 3 HE ARG 3 3.889 -8.806 -4.031 21 HH11 ARG 3 HH11 ARG 3 3.923 -6.740 -1.230 22 HH12 ARG 3 HH12 ARG 3 3.159 -7.904 -0.199 23 HH21 ARG 3 HH21 ARG 3 2.885 -10.350 -2.685 24 HH22 ARG 3 HH22 ARG 3 2.570 -9.958 -1.027 25 H TRP 4 H TRP 4 0.320 -5.231 -5.725 26 HA TRP 4 HA TRP 4 -0.150 -5.112 -8.441 27 HB2 TRP 4 HB2 TRP 4 -2.060 -4.125 -6.316 28 HB3 TRP 4 HB3 TRP 4 -2.475 -4.747 -7.910 29 HD1 TRP 4 HD1 TRP 4 -2.415 -5.823 -4.449 30 HE1 TRP 4 HE1 TRP 4 -2.418 -8.391 -4.255 31 HE3 TRP 4 HE3 TRP 4 -1.200 -7.003 -9.273 32 HZ2 TRP 4 HZ2 TRP 4 -1.963 -10.620 -5.926 33 HZ3 TRP 4 HZ3 TRP 4 -1.005 -9.376 -9.893 34 HH2 TRP 4 HH2 TRP 4 -1.378 -11.146 -8.253 35 H ASN 5 H ASN 5 0.098 -2.480 -6.121 36 HA ASN 5 HA ASN 5 -0.894 -0.399 -7.698 37 HB2 ASN 5 HB2 ASN 5 1.203 -0.409 -5.521 38 HB3 ASN 5 HB3 ASN 5 0.580 1.066 -6.252 39 HD21 ASN 5 HD21 ASN 5 -1.469 1.758 -5.764 40 HD22 ASN 5 HD22 ASN 5 -2.418 1.065 -4.499 41 H LEU 6 H LEU 6 2.276 -1.910 -7.603 42 HA LEU 6 HA LEU 6 3.352 -0.000 -9.519 43 HB2 LEU 6 HB2 LEU 6 4.614 -2.416 -8.233 44 HB3 LEU 6 HB3 LEU 6 5.446 -1.250 -9.258 45 HG LEU 6 HG LEU 6 6.068 -0.649 -7.097 46 HD11 LEU 6 HD11 LEU 6 5.044 1.196 -8.529 47 HD12 LEU 6 HD12 LEU 6 5.230 1.518 -6.805 48 HD13 LEU 6 HD13 LEU 6 3.648 1.090 -7.454 49 HD21 LEU 6 HD21 LEU 6 4.940 -1.209 -5.263 50 HD22 LEU 6 HD22 LEU 6 3.768 -1.994 -6.320 51 HD23 LEU 6 HD23 LEU 6 3.506 -0.332 -5.792 52 H GLY 7 H GLY 7 1.243 -2.279 -9.943 53 HA2 GLY 7 HA2 GLY 7 0.666 -3.720 -11.636 54 HA3 GLY 7 HA3 GLY 7 1.668 -2.691 -12.649 55 H TYR 8 H TYR 8 2.866 -4.557 -9.927 56 HA TYR 8 HA TYR 8 4.957 -5.703 -11.433 57 HB2 TYR 8 HB2 TYR 8 5.232 -5.422 -9.065 58 HB3 TYR 8 HB3 TYR 8 3.818 -6.416 -8.726 59 HD1 TYR 8 HD1 TYR 8 6.863 -6.880 -10.855 60 HD2 TYR 8 HD2 TYR 8 4.425 -8.392 -7.713 61 HE1 TYR 8 HE1 TYR 8 8.305 -8.866 -10.700 62 HE2 TYR 8 HE2 TYR 8 5.861 -10.381 -7.548 63 HH TYR 8 HH TYR 8 8.611 -10.735 -8.316 64 H GLY 9 H GLY 9 1.895 -7.055 -10.236 65 HA2 GLY 9 HA2 GLY 9 2.212 -9.681 -11.078 66 HA3 GLY 9 HA3 GLY 9 0.665 -8.858 -10.948 67 H ILE 10 H ILE 10 1.252 -6.853 -12.941 68 HA ILE 10 HA ILE 10 0.283 -8.127 -15.223 69 HB ILE 10 HB ILE 10 1.811 -5.524 -15.102 70 HG12 ILE 10 HG12 ILE 10 -1.175 -5.995 -14.992 71 HG13 ILE 10 HG13 ILE 10 -0.172 -5.662 -13.584 72 HG21 ILE 10 HG21 ILE 10 -0.165 -6.504 -17.157 73 HG22 ILE 10 HG22 ILE 10 0.703 -4.970 -17.175 74 HG23 ILE 10 HG23 ILE 10 1.587 -6.485 -17.366 75 HD11 ILE 10 HD11 ILE 10 -0.214 -3.478 -13.970 76 HD12 ILE 10 HD12 ILE 10 0.200 -3.693 -15.673 77 HD13 ILE 10 HD13 ILE 10 -1.480 -3.811 -15.150 78 HA PRO 11 HA PRO 11 3.904 -10.066 -16.861 79 HB2 PRO 11 HB2 PRO 11 2.919 -10.610 -19.332 80 HB3 PRO 11 HB3 PRO 11 2.457 -11.525 -17.891 81 HG2 PRO 11 HG2 PRO 11 0.999 -9.306 -19.276 82 HG3 PRO 11 HG3 PRO 11 0.363 -10.825 -18.616 83 HD2 PRO 11 HD2 PRO 11 0.158 -8.466 -17.303 84 HD3 PRO 11 HD3 PRO 11 0.326 -10.016 -16.457 85 H HIS 12 H HIS 12 5.633 -8.877 -17.370 86 HA HIS 12 HA HIS 12 5.379 -6.865 -19.507 87 HB2 HIS 12 HB2 HIS 12 7.577 -6.913 -17.447 88 HB3 HIS 12 HB3 HIS 12 7.058 -5.572 -18.464 89 HD1 HIS 12 HD1 HIS 12 7.052 -6.304 -15.115 90 HD2 HIS 12 HD2 HIS 12 3.997 -5.225 -17.716 91 HE1 HIS 12 HE1 HIS 12 5.228 -5.369 -13.658 92 H LYS 13 H LYS 13 7.316 -6.540 -20.847 93 HA LYS 13 HA LYS 13 8.667 -9.104 -21.354 94 HB2 LYS 13 HB2 LYS 13 7.282 -8.354 -23.210 95 HB3 LYS 13 HB3 LYS 13 8.098 -6.795 -23.221 96 HG2 LYS 13 HG2 LYS 13 10.133 -7.780 -23.973 97 HG3 LYS 13 HG3 LYS 13 9.494 -9.410 -23.738 98 HD2 LYS 13 HD2 LYS 13 9.347 -9.004 -26.055 99 HD3 LYS 13 HD3 LYS 13 7.708 -8.792 -25.437 100 HE2 LYS 13 HE2 LYS 13 7.760 -6.503 -25.713 101 HE3 LYS 13 HE3 LYS 13 9.519 -6.427 -25.623 102 HZ1 LYS 13 HZ1 LYS 13 8.217 -6.189 -27.891 103 HZ2 LYS 13 HZ2 LYS 13 8.357 -7.875 -27.875 104 HZ3 LYS 13 HZ3 LYS 13 9.745 -6.910 -27.809 105 H GLN 14 H GLN 14 10.686 -9.175 -20.638 106 HA GLN 14 HA GLN 14 12.183 -6.832 -19.996 107 HB2 GLN 14 HB2 GLN 14 12.380 -9.019 -18.796 108 HB3 GLN 14 HB3 GLN 14 13.179 -9.676 -20.218 109 HG2 GLN 14 HG2 GLN 14 14.921 -9.115 -18.788 110 HG3 GLN 14 HG3 GLN 14 14.858 -7.777 -19.934 111 HE21 GLN 14 HE21 GLN 14 16.147 -6.957 -17.975 112 HE22 GLN 14 HE22 GLN 14 15.233 -6.084 -16.796 113 H VAL 15 H VAL 15 13.873 -5.883 -21.050 114 HA VAL 15 HA VAL 15 14.884 -7.045 -23.517 115 HB VAL 15 HB VAL 15 14.520 -4.907 -24.768 116 HG11 VAL 15 HG11 VAL 15 11.943 -6.206 -23.907 117 HG12 VAL 15 HG12 VAL 15 12.306 -5.448 -25.460 118 HG13 VAL 15 HG13 VAL 15 13.096 -6.960 -25.007 119 HG21 VAL 15 HG21 VAL 15 14.133 -3.444 -22.857 120 HG22 VAL 15 HG22 VAL 15 12.774 -3.382 -23.979 121 HG23 VAL 15 HG23 VAL 15 12.641 -4.307 -22.484 122 H LYS 16 H LYS 16 16.824 -6.056 -24.272 123 HA LYS 16 HA LYS 16 18.406 -4.941 -22.128 124 HB2 LYS 16 HB2 LYS 16 19.183 -5.554 -24.986 125 HB3 LYS 16 HB3 LYS 16 20.289 -5.181 -23.670 126 HG2 LYS 16 HG2 LYS 16 19.072 -7.253 -22.556 127 HG3 LYS 16 HG3 LYS 16 18.794 -7.673 -24.249 128 HD2 LYS 16 HD2 LYS 16 20.826 -8.717 -23.655 129 HD3 LYS 16 HD3 LYS 16 21.279 -7.297 -24.600 130 HE2 LYS 16 HE2 LYS 16 22.047 -6.148 -22.738 131 HE3 LYS 16 HE3 LYS 16 21.103 -7.128 -21.619 132 HZ1 LYS 16 HZ1 LYS 16 22.575 -8.965 -21.969 133 HZ2 LYS 16 HZ2 LYS 16 23.505 -7.611 -21.563 134 HZ3 LYS 16 HZ3 LYS 16 23.426 -8.132 -23.170 135 H LEU 17 H LEU 17 19.143 -2.891 -21.940 136 HA LEU 17 HA LEU 17 17.993 -0.909 -23.744 137 HB2 LEU 17 HB2 LEU 17 19.331 -0.720 -21.060 138 HB3 LEU 17 HB3 LEU 17 18.910 0.701 -22.013 139 HG LEU 17 HG LEU 17 16.746 -1.246 -21.432 140 HD11 LEU 17 HD11 LEU 17 18.031 0.528 -19.374 141 HD12 LEU 17 HD12 LEU 17 17.679 -1.197 -19.268 142 HD13 LEU 17 HD13 LEU 17 16.362 -0.025 -19.248 143 HD21 LEU 17 HD21 LEU 17 16.977 1.753 -21.610 144 HD22 LEU 17 HD22 LEU 17 15.495 0.904 -21.167 145 HD23 LEU 17 HD23 LEU 17 16.209 0.661 -22.762 146 HA PRO 18 HA PRO 18 21.712 0.080 -25.854 147 HB2 PRO 18 HB2 PRO 18 21.486 2.770 -26.144 148 HB3 PRO 18 HB3 PRO 18 20.497 1.620 -27.050 149 HG2 PRO 18 HG2 PRO 18 19.807 3.182 -24.592 150 HG3 PRO 18 HG3 PRO 18 18.826 2.879 -26.037 151 HD2 PRO 18 HD2 PRO 18 18.499 1.490 -23.734 152 HD3 PRO 18 HD3 PRO 18 18.215 0.770 -25.332 153 H ASN 19 H ASN 19 21.088 1.330 -22.735 154 HA ASN 19 HA ASN 19 23.544 2.796 -22.447 155 HB2 ASN 19 HB2 ASN 19 21.512 1.853 -20.413 156 HB3 ASN 19 HB3 ASN 19 22.899 2.867 -20.028 157 HD21 ASN 19 HD21 ASN 19 20.135 3.497 -19.660 158 HD22 ASN 19 HD22 ASN 19 19.799 4.894 -20.621 159 H GLY 20 H GLY 20 22.593 -0.487 -22.199 160 HA2 GLY 20 HA2 GLY 20 24.376 -2.143 -22.198 161 HA3 GLY 20 HA3 GLY 20 25.232 -1.133 -21.044 162 H GLN 21 H GLN 21 22.589 -0.651 -19.642 163 HA GLN 21 HA GLN 21 22.709 -3.073 -18.007 164 HB2 GLN 21 HB2 GLN 21 21.373 -0.423 -17.426 165 HB3 GLN 21 HB3 GLN 21 21.567 -1.756 -16.296 166 HG2 GLN 21 HG2 GLN 21 23.988 -0.583 -17.567 167 HG3 GLN 21 HG3 GLN 21 23.191 0.293 -16.260 168 HE21 GLN 21 HE21 GLN 21 22.970 -0.767 -14.214 169 HE22 GLN 21 HE22 GLN 21 24.108 -1.978 -13.739 170 H LEU 22 H LEU 22 20.592 -3.779 -17.012 171 HA LEU 22 HA LEU 22 18.647 -4.099 -19.162 172 HB2 LEU 22 HB2 LEU 22 19.057 -5.488 -16.528 173 HB3 LEU 22 HB3 LEU 22 17.644 -5.774 -17.541 174 HG LEU 22 HG LEU 22 20.515 -6.353 -18.264 175 HD11 LEU 22 HD11 LEU 22 18.256 -8.303 -17.943 176 HD12 LEU 22 HD12 LEU 22 19.312 -7.858 -16.604 177 HD13 LEU 22 HD13 LEU 22 19.987 -8.629 -18.040 178 HD21 LEU 22 HD21 LEU 22 17.970 -6.704 -19.840 179 HD22 LEU 22 HD22 LEU 22 19.527 -7.410 -20.278 180 HD23 LEU 22 HD23 LEU 22 19.332 -5.656 -20.237 181 H CYS 23 H CYS 23 16.354 -3.901 -18.743 182 HA CYS 23 HA CYS 23 15.583 -1.462 -17.711 183 HB2 CYS 23 HB2 CYS 23 13.857 -3.940 -17.897 184 HB3 CYS 23 HB3 CYS 23 13.288 -2.275 -17.839 185 H LYS 24 H LYS 24 14.150 -0.994 -15.871 186 HA LYS 24 HA LYS 24 15.147 -2.323 -13.469 187 HB2 LYS 24 HB2 LYS 24 13.935 0.335 -14.066 188 HB3 LYS 24 HB3 LYS 24 13.739 -0.316 -12.445 189 HG2 LYS 24 HG2 LYS 24 16.380 0.084 -13.835 190 HG3 LYS 24 HG3 LYS 24 15.675 1.185 -12.650 191 HD2 LYS 24 HD2 LYS 24 16.619 -0.012 -11.032 192 HD3 LYS 24 HD3 LYS 24 15.616 -1.387 -11.500 193 HE2 LYS 24 HE2 LYS 24 17.462 -1.692 -13.343 194 HE3 LYS 24 HE3 LYS 24 18.443 -0.759 -12.214 195 HZ1 LYS 24 HZ1 LYS 24 18.535 -2.452 -10.761 196 HZ2 LYS 24 HZ2 LYS 24 18.190 -3.406 -12.113 197 HZ3 LYS 24 HZ3 LYS 24 16.948 -2.958 -11.056 198 H GLU 25 H GLU 25 13.776 -3.101 -11.831 199 HA GLU 25 HA GLU 25 11.238 -4.110 -12.831 200 HB2 GLU 25 HB2 GLU 25 12.459 -4.681 -10.137 201 HB3 GLU 25 HB3 GLU 25 11.278 -5.640 -11.016 202 HG2 GLU 25 HG2 GLU 25 13.494 -5.459 -12.705 203 HG3 GLU 25 HG3 GLU 25 14.146 -5.747 -11.095 204 HA PRO 26 HA PRO 26 8.644 -1.303 -10.672 205 HB2 PRO 26 HB2 PRO 26 6.531 -2.899 -10.078 206 HB3 PRO 26 HB3 PRO 26 6.873 -2.329 -11.716 207 HG2 PRO 26 HG2 PRO 26 7.498 -4.974 -10.462 208 HG3 PRO 26 HG3 PRO 26 6.861 -4.624 -12.080 209 HD2 PRO 26 HD2 PRO 26 9.470 -5.201 -11.632 210 HD3 PRO 26 HD3 PRO 26 8.942 -4.100 -12.922 211 H GLY 27 H GLY 27 9.126 -0.552 -8.704 212 HA2 GLY 27 HA2 GLY 27 8.518 -0.680 -6.342 213 HA3 GLY 27 HA3 GLY 27 8.855 -2.404 -6.419 214 H ASP 28 H ASP 28 11.294 -2.052 -7.988 215 HA ASP 28 HA ASP 28 13.077 -1.527 -5.777 216 HB2 ASP 28 HB2 ASP 28 13.342 -2.707 -8.505 217 HB3 ASP 28 HB3 ASP 28 14.791 -2.069 -7.731 218 H SER 29 H SER 29 15.031 -0.184 -6.073 219 HA SER 29 HA SER 29 14.296 2.440 -6.930 220 HB2 SER 29 HB2 SER 29 16.421 3.141 -6.063 221 HB3 SER 29 HB3 SER 29 15.793 1.912 -4.967 222 HG SER 29 HG SER 29 17.992 1.842 -6.644 223 H CYS 30 H CYS 30 15.267 3.711 -8.549 224 HA CYS 30 HA CYS 30 16.675 2.192 -10.645 225 HB2 CYS 30 HB2 CYS 30 14.832 4.469 -11.306 226 HB3 CYS 30 HB3 CYS 30 15.382 3.153 -12.338 227 H SER 31 H SER 31 17.609 3.862 -12.317 228 HA SER 31 HA SER 31 19.131 5.820 -10.740 229 HB2 SER 31 HB2 SER 31 19.770 4.162 -13.143 230 HB3 SER 31 HB3 SER 31 20.592 5.709 -12.946 231 HG SER 31 HG SER 31 21.331 4.995 -10.925 232 H LYS 32 H LYS 32 17.183 5.412 -13.630 233 HA LYS 32 HA LYS 32 16.671 8.263 -13.695 234 HB2 LYS 32 HB2 LYS 32 17.973 6.819 -16.007 235 HB3 LYS 32 HB3 LYS 32 17.191 8.387 -16.154 236 HG2 LYS 32 HG2 LYS 32 19.532 7.783 -14.357 237 HG3 LYS 32 HG3 LYS 32 19.633 8.553 -15.942 238 HD2 LYS 32 HD2 LYS 32 18.114 9.625 -13.563 239 HD3 LYS 32 HD3 LYS 32 19.690 10.197 -14.117 240 HE2 LYS 32 HE2 LYS 32 17.066 10.347 -15.594 241 HE3 LYS 32 HE3 LYS 32 17.998 11.691 -14.935 242 HZ1 LYS 32 HZ1 LYS 32 18.665 11.776 -17.088 243 HZ2 LYS 32 HZ2 LYS 32 18.459 10.118 -17.355 244 HZ3 LYS 32 HZ3 LYS 32 19.820 10.678 -16.521 245 H ARG 33 H ARG 33 14.813 8.824 -14.911 246 HA ARG 33 HA ARG 33 12.706 7.026 -14.806 247 HB2 ARG 33 HB2 ARG 33 12.380 9.443 -14.923 248 HB3 ARG 33 HB3 ARG 33 13.004 9.465 -16.566 249 HG2 ARG 33 HG2 ARG 33 11.103 7.989 -17.227 250 HG3 ARG 33 HG3 ARG 33 10.449 8.204 -15.602 251 HD2 ARG 33 HD2 ARG 33 10.001 10.453 -15.943 252 HD3 ARG 33 HD3 ARG 33 11.156 10.585 -17.269 253 HE ARG 33 HE ARG 33 9.160 8.819 -18.070 254 HH11 ARG 33 HH11 ARG 33 9.492 12.181 -17.228 255 HH12 ARG 33 HH12 ARG 33 8.194 12.700 -18.253 256 HH21 ARG 33 HH21 ARG 33 7.453 9.490 -19.424 257 HH22 ARG 33 HH22 ARG 33 7.034 11.168 -19.502 258 H ASP 34 H ASP 34 14.995 7.650 -17.377 259 HA ASP 34 HA ASP 34 13.606 6.310 -19.448 260 HB2 ASP 34 HB2 ASP 34 15.894 6.189 -20.521 261 HB3 ASP 34 HB3 ASP 34 15.355 7.805 -20.071 262 H GLU 35 H GLU 35 15.498 5.207 -16.778 263 HA GLU 35 HA GLU 35 16.290 2.693 -17.779 264 HB2 GLU 35 HB2 GLU 35 15.723 3.498 -14.919 265 HB3 GLU 35 HB3 GLU 35 16.618 2.073 -15.426 266 HG2 GLU 35 HG2 GLU 35 17.454 4.892 -16.059 267 HG3 GLU 35 HG3 GLU 35 18.026 3.978 -14.663 268 H CYS 36 H CYS 36 13.314 3.856 -16.369 269 HA CYS 36 HA CYS 36 12.160 1.309 -15.852 270 HB2 CYS 36 HB2 CYS 36 11.502 3.838 -15.150 271 HB3 CYS 36 HB3 CYS 36 10.354 3.574 -16.459 272 H CYS 37 H CYS 37 11.534 -0.137 -17.300 273 HA CYS 37 HA CYS 37 11.279 0.523 -20.080 274 HB2 CYS 37 HB2 CYS 37 11.423 -1.902 -18.454 275 HB3 CYS 37 HB3 CYS 37 10.285 -2.042 -19.790 276 H LYS 38 H LYS 38 9.275 -0.727 -21.177 277 HA LYS 38 HA LYS 38 6.878 0.463 -19.949 278 HB2 LYS 38 HB2 LYS 38 7.287 -0.252 -22.855 279 HB3 LYS 38 HB3 LYS 38 5.953 0.663 -22.166 280 HG2 LYS 38 HG2 LYS 38 7.862 2.276 -21.389 281 HG3 LYS 38 HG3 LYS 38 8.757 1.504 -22.700 282 HD2 LYS 38 HD2 LYS 38 7.743 3.404 -23.660 283 HD3 LYS 38 HD3 LYS 38 6.758 2.033 -24.177 284 HE2 LYS 38 HE2 LYS 38 5.136 3.521 -23.515 285 HE3 LYS 38 HE3 LYS 38 5.375 2.598 -22.032 286 HZ1 LYS 38 HZ1 LYS 38 7.197 4.727 -22.063 287 HZ2 LYS 38 HZ2 LYS 38 5.913 4.460 -20.994 288 HZ3 LYS 38 HZ3 LYS 38 5.664 5.349 -22.412 289 H ALA 39 H ALA 39 5.051 -0.739 -19.659 290 HA ALA 39 HA ALA 39 5.312 -3.535 -19.386 291 HB1 ALA 39 HB1 ALA 39 2.728 -1.989 -19.512 292 HB2 ALA 39 HB2 ALA 39 3.020 -3.540 -18.722 293 HB3 ALA 39 HB3 ALA 39 3.759 -2.073 -18.083 294 H ASP 40 H ASP 40 3.808 -5.128 -20.411 295 HA ASP 40 HA ASP 40 4.243 -5.338 -23.135 296 HB2 ASP 40 HB2 ASP 40 2.269 -6.637 -21.282 297 HB3 ASP 40 HB3 ASP 40 2.224 -6.978 -23.009 298 H ASP 41 H ASP 41 1.411 -4.078 -21.426 299 HA ASP 41 HA ASP 41 0.323 -3.173 -24.007 300 HB2 ASP 41 HB2 ASP 41 -0.970 -4.659 -22.187 301 HB3 ASP 41 HB3 ASP 41 -1.342 -3.061 -21.548 302 H GLN 42 H GLN 42 2.336 -1.633 -23.248 303 HA GLN 42 HA GLN 42 1.950 0.399 -21.416 304 HB2 GLN 42 HB2 GLN 42 3.494 1.738 -22.818 305 HB3 GLN 42 HB3 GLN 42 4.070 0.101 -22.536 306 HG2 GLN 42 HG2 GLN 42 2.809 -0.315 -24.837 307 HG3 GLN 42 HG3 GLN 42 3.173 1.398 -25.038 308 HE21 GLN 42 HE21 GLN 42 4.867 1.576 -26.312 309 HE22 GLN 42 HE22 GLN 42 6.328 0.660 -26.198 310 H LYS 43 H LYS 43 0.520 -0.041 -24.558 311 HA LYS 43 HA LYS 43 -0.319 2.521 -25.178 312 HB2 LYS 43 HB2 LYS 43 -1.779 -0.089 -25.620 313 HB3 LYS 43 HB3 LYS 43 -2.182 1.431 -26.407 314 HG2 LYS 43 HG2 LYS 43 0.433 -0.038 -26.674 315 HG3 LYS 43 HG3 LYS 43 -0.876 -0.037 -27.857 316 HD2 LYS 43 HD2 LYS 43 -0.578 2.580 -27.666 317 HD3 LYS 43 HD3 LYS 43 1.043 2.122 -27.138 318 HE2 LYS 43 HE2 LYS 43 1.328 2.330 -29.418 319 HE3 LYS 43 HE3 LYS 43 1.008 0.604 -29.251 320 HZ1 LYS 43 HZ1 LYS 43 -0.243 1.981 -31.031 321 HZ2 LYS 43 HZ2 LYS 43 -1.226 2.452 -29.738 322 HZ3 LYS 43 HZ3 LYS 43 -1.084 0.815 -30.139 323 H THR 44 H THR 44 -1.525 0.320 -22.765 324 HA THR 44 HA THR 44 -3.659 2.238 -22.094 325 HB THR 44 HB THR 44 -4.534 0.219 -20.711 326 HG1 THR 44 HG1 THR 44 -3.108 -1.221 -22.701 327 HG21 THR 44 HG21 THR 44 -5.614 -0.728 -22.826 328 HG22 THR 44 HG22 THR 44 -4.662 0.469 -23.705 329 HG23 THR 44 HG23 THR 44 -5.846 0.989 -22.506 330 H TYR 45 H TYR 45 -0.988 0.334 -20.833 331 HA TYR 45 HA TYR 45 -1.336 1.524 -18.182 332 HB2 TYR 45 HB2 TYR 45 0.750 -0.509 -18.953 333 HB3 TYR 45 HB3 TYR 45 0.118 -0.148 -17.349 334 HD1 TYR 45 HD1 TYR 45 -2.823 -0.128 -18.054 335 HD2 TYR 45 HD2 TYR 45 0.306 -2.824 -19.070 336 HE1 TYR 45 HE1 TYR 45 -4.469 -1.940 -18.291 337 HE2 TYR 45 HE2 TYR 45 -1.331 -4.644 -19.311 338 HH TYR 45 HH TYR 45 -4.477 -4.448 -18.171 339 H SER 46 H SER 46 0.107 2.912 -17.276 340 HA SER 46 HA SER 46 2.137 4.021 -19.080 341 HB2 SER 46 HB2 SER 46 0.235 5.372 -17.802 342 HB3 SER 46 HB3 SER 46 1.431 5.354 -16.506 343 HG SER 46 HG SER 46 1.514 6.606 -18.998 344 H SER 47 H SER 47 4.224 3.673 -18.727 345 HA SER 47 HA SER 47 5.031 2.560 -16.126 346 HB2 SER 47 HB2 SER 47 6.776 1.399 -17.220 347 HB3 SER 47 HB3 SER 47 5.388 1.231 -18.295 348 HG SER 47 HG SER 47 7.738 2.690 -18.623 349 H GLY 48 H GLY 48 6.796 3.383 -15.024 350 HA2 GLY 48 HA2 GLY 48 8.629 5.261 -15.975 351 HA3 GLY 48 HA3 GLY 48 7.278 6.155 -15.293 352 H CYS 49 H CYS 49 9.948 6.224 -14.326 353 HA CYS 49 HA CYS 49 9.556 5.022 -11.664 354 HB2 CYS 49 HB2 CYS 49 11.425 4.044 -13.166 355 HB3 CYS 49 HB3 CYS 49 12.280 5.544 -12.826 356 H ALA 50 H ALA 50 8.972 6.660 -10.386 357 HA ALA 50 HA ALA 50 10.631 9.095 -10.433 358 HB1 ALA 50 HB1 ALA 50 8.671 9.923 -11.323 359 HB2 ALA 50 HB2 ALA 50 7.656 8.841 -10.368 360 HB3 ALA 50 HB3 ALA 50 8.439 10.223 -9.600 361 H GLN 51 H GLN 51 10.808 10.211 -8.399 362 HA GLN 51 HA GLN 51 11.343 8.541 -6.229 363 HB2 GLN 51 HB2 GLN 51 10.772 11.507 -6.127 364 HB3 GLN 51 HB3 GLN 51 11.663 10.569 -4.935 365 HG2 GLN 51 HG2 GLN 51 13.452 10.189 -6.467 366 HG3 GLN 51 HG3 GLN 51 12.532 10.895 -7.794 367 HE21 GLN 51 HE21 GLN 51 15.039 11.794 -7.240 368 HE22 GLN 51 HE22 GLN 51 14.963 13.391 -6.584 369 H THR 52 H THR 52 10.242 7.992 -4.396 370 HA THR 52 HA THR 52 7.596 9.094 -3.903 371 HB THR 52 HB THR 52 6.567 6.825 -3.734 372 HG1 THR 52 HG1 THR 52 8.539 5.625 -3.629 373 HG21 THR 52 HG21 THR 52 6.299 6.495 -6.174 374 HG22 THR 52 HG22 THR 52 7.621 7.631 -6.447 375 HG23 THR 52 HG23 THR 52 6.126 8.182 -5.690 376 H TRP 53 H TRP 53 7.224 9.279 -1.784 377 HA TRP 53 HA TRP 53 9.132 8.812 0.151 378 HB2 TRP 53 HB2 TRP 53 7.314 10.321 0.589 379 HB3 TRP 53 HB3 TRP 53 6.129 9.028 0.419 380 HD1 TRP 53 HD1 TRP 53 5.725 7.451 2.503 381 HE1 TRP 53 HE1 TRP 53 6.429 7.601 4.975 382 HE3 TRP 53 HE3 TRP 53 9.266 11.119 2.118 383 HZ2 TRP 53 HZ2 TRP 53 8.246 9.077 6.552 384 HZ3 TRP 53 HZ3 TRP 53 10.441 11.843 4.156 385 HH2 TRP 53 HH2 TRP 53 9.940 10.843 6.325 386 H SER 54 H SER 54 10.013 6.930 0.693 387 HA SER 54 HA SER 54 8.314 4.535 0.782 388 HB2 SER 54 HB2 SER 54 10.195 4.224 -0.671 389 HB3 SER 54 HB3 SER 54 11.309 4.864 0.537 390 HG SER 54 HG SER 54 9.752 2.526 0.924 391 H ALA 55 H ALA 55 7.732 3.744 2.686 392 HA ALA 55 HA ALA 55 8.728 4.878 5.126 393 HB1 ALA 55 HB1 ALA 55 6.473 4.392 5.255 394 HB2 ALA 55 HB2 ALA 55 6.655 2.835 4.444 395 HB3 ALA 55 HB3 ALA 55 7.197 3.029 6.111 396 H MET 56 H MET 56 8.937 1.707 3.546 397 HA MET 56 HA MET 56 10.365 0.396 5.578 398 HB2 MET 56 HB2 MET 56 10.120 -0.063 2.616 399 HB3 MET 56 HB3 MET 56 11.145 -1.083 3.616 400 HG2 MET 56 HG2 MET 56 8.252 -0.635 4.258 401 HG3 MET 56 HG3 MET 56 8.780 -1.885 3.134 402 HE1 MET 56 HE1 MET 56 8.995 -4.723 5.072 403 HE2 MET 56 HE2 MET 56 9.140 -3.878 3.531 404 HE3 MET 56 HE3 MET 56 10.586 -4.250 4.472 405 H GLU 57 H GLU 57 11.521 2.023 2.631 406 HA GLU 57 HA GLU 57 14.277 1.640 3.261 407 HB2 GLU 57 HB2 GLU 57 13.109 3.688 1.374 408 HB3 GLU 57 HB3 GLU 57 14.739 3.028 1.355 409 HG2 GLU 57 HG2 GLU 57 12.263 1.389 0.885 410 HG3 GLU 57 HG3 GLU 57 13.217 2.126 -0.399 411 H GLY 58 H GLY 58 11.924 4.165 3.868 412 HA2 GLY 58 HA2 GLY 58 12.000 5.904 5.382 413 HA3 GLY 58 HA3 GLY 58 13.567 5.309 5.913 414 H GLY 59 H GLY 59 12.771 6.191 2.600 415 HA2 GLY 59 HA2 GLY 59 13.817 8.830 2.721 416 HA3 GLY 59 HA3 GLY 59 15.052 7.708 2.168 417 H PHE 60 H PHE 60 13.582 9.942 0.818 418 HA PHE 60 HA PHE 60 11.754 8.994 -1.059 419 HB2 PHE 60 HB2 PHE 60 13.679 11.297 -1.045 420 HB3 PHE 60 HB3 PHE 60 12.723 10.950 -2.481 421 HD1 PHE 60 HD1 PHE 60 12.836 12.854 0.402 422 HD2 PHE 60 HD2 PHE 60 10.132 10.519 -1.910 423 HE1 PHE 60 HE1 PHE 60 10.944 14.094 1.369 424 HE2 PHE 60 HE2 PHE 60 8.234 11.757 -0.948 425 HZ PHE 60 HZ PHE 60 8.641 13.546 0.695 426 H VAL 61 H VAL 61 11.960 7.536 -2.612 427 HA VAL 61 HA VAL 61 14.483 7.357 -4.091 428 HB VAL 61 HB VAL 61 14.232 4.832 -4.072 429 HG11 VAL 61 HG11 VAL 61 15.474 6.602 -2.250 430 HG12 VAL 61 HG12 VAL 61 14.874 5.224 -1.324 431 HG13 VAL 61 HG13 VAL 61 15.961 4.965 -2.688 432 HG21 VAL 61 HG21 VAL 61 11.855 5.262 -2.907 433 HG22 VAL 61 HG22 VAL 61 12.768 3.766 -2.713 434 HG23 VAL 61 HG23 VAL 61 12.846 5.014 -1.470 435 H ARG 62 H ARG 62 14.289 6.604 -6.210 436 HA ARG 62 HA ARG 62 11.638 6.920 -7.343 437 HB2 ARG 62 HB2 ARG 62 14.263 6.385 -8.746 438 HB3 ARG 62 HB3 ARG 62 12.763 6.913 -9.497 439 HG2 ARG 62 HG2 ARG 62 12.920 9.055 -8.571 440 HG3 ARG 62 HG3 ARG 62 14.127 8.548 -7.388 441 HD2 ARG 62 HD2 ARG 62 15.374 9.708 -8.974 442 HD3 ARG 62 HD3 ARG 62 15.599 8.019 -9.427 443 HE ARG 62 HE ARG 62 13.448 8.859 -10.894 444 HH11 ARG 62 HH11 ARG 62 16.750 9.892 -10.514 445 HH12 ARG 62 HH12 ARG 62 16.881 10.508 -12.128 446 HH21 ARG 62 HH21 ARG 62 13.607 9.666 -13.022 447 HH22 ARG 62 HH22 ARG 62 15.091 10.379 -13.554 448 H GLU 63 H GLU 63 10.327 5.219 -7.382 449 HA GLU 63 HA GLU 63 11.482 2.576 -7.990 450 HB2 GLU 63 HB2 GLU 63 9.626 1.584 -6.752 451 HB3 GLU 63 HB3 GLU 63 10.525 2.700 -5.734 452 HG2 GLU 63 HG2 GLU 63 8.782 4.426 -6.260 453 HG3 GLU 63 HG3 GLU 63 7.849 3.142 -7.028 454 H CYS 64 H CYS 64 10.670 1.426 -9.658 455 HA CYS 64 HA CYS 64 9.171 2.736 -11.654 456 HB2 CYS 64 HB2 CYS 64 10.275 0.013 -11.249 457 HB3 CYS 64 HB3 CYS 64 8.956 0.159 -12.406 458 H TYR 65 H TYR 65 7.052 2.576 -12.280 459 HA TYR 65 HA TYR 65 5.254 0.903 -10.684 460 HB2 TYR 65 HB2 TYR 65 3.658 2.841 -10.519 461 HB3 TYR 65 HB3 TYR 65 5.121 3.009 -9.554 462 HD1 TYR 65 HD1 TYR 65 3.515 4.076 -12.723 463 HD2 TYR 65 HD2 TYR 65 6.565 4.846 -9.857 464 HE1 TYR 65 HE1 TYR 65 3.965 6.244 -13.793 465 HE2 TYR 65 HE2 TYR 65 7.022 7.016 -10.918 466 HH TYR 65 HH TYR 65 5.255 8.051 -13.821 467 H ILE 66 H ILE 66 3.368 0.275 -11.731 468 HA ILE 66 HA ILE 66 3.002 1.173 -14.499 469 HB ILE 66 HB ILE 66 3.117 -1.719 -13.637 470 HG12 ILE 66 HG12 ILE 66 4.787 -0.362 -15.744 471 HG13 ILE 66 HG13 ILE 66 5.284 -0.398 -14.055 472 HG21 ILE 66 HG21 ILE 66 2.741 -2.165 -16.076 473 HG22 ILE 66 HG22 ILE 66 1.349 -1.509 -15.214 474 HG23 ILE 66 HG23 ILE 66 2.317 -0.462 -16.253 475 HD11 ILE 66 HD11 ILE 66 5.015 -2.932 -14.226 476 HD12 ILE 66 HD12 ILE 66 4.986 -2.677 -15.972 477 HD13 ILE 66 HD13 ILE 66 6.398 -2.190 -15.031 478 H CYS 67 H CYS 67 1.029 2.017 -14.527 479 HA CYS 67 HA CYS 67 -1.193 0.419 -13.492 480 HB2 CYS 67 HB2 CYS 67 -0.247 2.886 -12.325 481 HB3 CYS 67 HB3 CYS 67 -1.890 3.083 -12.926 482 H ALA 68 H ALA 68 -3.283 1.077 -14.356 483 HA ALA 68 HA ALA 68 -3.107 1.709 -17.138 484 HB1 ALA 68 HB1 ALA 68 -5.300 1.048 -17.294 485 HB2 ALA 68 HB2 ALA 68 -4.788 0.168 -15.853 486 HB3 ALA 68 HB3 ALA 68 -5.713 1.661 -15.693 487 H VAL 69 H VAL 69 -4.074 3.467 -18.231 488 HA VAL 69 HA VAL 69 -3.699 5.982 -16.973 489 HB VAL 69 HB VAL 69 -5.194 5.504 -19.548 490 HG11 VAL 69 HG11 VAL 69 -4.388 7.723 -20.134 491 HG12 VAL 69 HG12 VAL 69 -5.299 7.776 -18.623 492 HG13 VAL 69 HG13 VAL 69 -3.536 7.838 -18.593 493 HG21 VAL 69 HG21 VAL 69 -3.336 4.595 -20.372 494 HG22 VAL 69 HG22 VAL 69 -2.567 6.170 -20.175 495 HG23 VAL 69 HG23 VAL 69 -2.428 4.954 -18.904 496 H GLU 70 H GLU 70 -6.605 4.216 -18.004 497 HA GLU 70 HA GLU 70 -8.339 6.228 -16.843 498 HB2 GLU 70 HB2 GLU 70 -10.170 4.781 -17.640 499 HB3 GLU 70 HB3 GLU 70 -9.030 5.171 -18.919 500 HG2 GLU 70 HG2 GLU 70 -9.113 2.983 -19.350 501 HG3 GLU 70 HG3 GLU 70 -7.987 2.852 -18.002 502 H SER 71 H SER 71 -7.195 2.992 -16.110 503 HA SER 71 HA SER 71 -8.855 2.900 -13.702 504 HB2 SER 71 HB2 SER 71 -8.467 0.932 -15.414 505 HB3 SER 71 HB3 SER 71 -6.992 0.689 -14.478 506 HG SER 71 HG SER 71 -8.546 -0.529 -13.502 507 H SER 72 H SER 72 -8.009 3.888 -11.993 508 HA SER 72 HA SER 72 -5.130 4.065 -11.651 509 HB2 SER 72 HB2 SER 72 -6.792 5.968 -11.202 510 HB3 SER 72 HB3 SER 72 -7.210 5.098 -9.727 511 HG SER 72 HG SER 72 -5.004 5.238 -9.121 512 H MET 73 H MET 73 -7.894 2.473 -10.177 513 HA MET 73 HA MET 73 -6.616 1.533 -7.852 514 HB2 MET 73 HB2 MET 73 -9.033 0.663 -9.402 515 HB3 MET 73 HB3 MET 73 -8.452 -0.306 -8.053 516 HG2 MET 73 HG2 MET 73 -9.999 1.019 -7.017 517 HG3 MET 73 HG3 MET 73 -8.525 1.952 -6.762 518 HE1 MET 73 HE1 MET 73 -11.773 1.441 -8.287 519 HE2 MET 73 HE2 MET 73 -12.299 3.021 -8.870 520 HE3 MET 73 HE3 MET 73 -11.379 1.951 -9.929 521 H CYS 74 H CYS 74 -6.809 0.266 -11.125 522 HA CYS 74 HA CYS 74 -5.841 -1.531 -12.145 523 HB2 CYS 74 HB2 CYS 74 -3.614 -1.212 -10.140 524 HB3 CYS 74 HB3 CYS 74 -3.506 -1.756 -11.810 Start of MODEL 16 1 H1 SER 1 H SER 1 1.907 1.454 -1.569 2 HA SER 1 HA SER 1 3.979 -0.115 -0.382 3 HB2 SER 1 HB2 SER 1 1.151 0.549 0.266 4 HB3 SER 1 HB3 SER 1 1.828 -0.905 1.001 5 HG SER 1 HG SER 1 2.222 0.854 2.339 6 H ASN 2 H ASN 2 0.843 -0.948 -1.855 7 HA ASN 2 HA ASN 2 1.409 -3.760 -1.807 8 HB2 ASN 2 HB2 ASN 2 -0.749 -2.355 -3.387 9 HB3 ASN 2 HB3 ASN 2 -0.722 -4.040 -2.874 10 HD21 ASN 2 HD21 ASN 2 -2.826 -2.282 -2.351 11 HD22 ASN 2 HD22 ASN 2 -2.923 -2.039 -0.642 12 H ARG 3 H ARG 3 2.055 -5.079 -3.456 13 HA ARG 3 HA ARG 3 3.740 -4.082 -5.430 14 HB2 ARG 3 HB2 ARG 3 2.387 -6.715 -4.993 15 HB3 ARG 3 HB3 ARG 3 3.248 -6.431 -6.500 16 HG2 ARG 3 HG2 ARG 3 4.907 -7.375 -5.260 17 HG3 ARG 3 HG3 ARG 3 5.172 -5.672 -4.879 18 HD2 ARG 3 HD2 ARG 3 3.850 -5.936 -2.830 19 HD3 ARG 3 HD3 ARG 3 3.610 -7.640 -3.210 20 HE ARG 3 HE ARG 3 5.711 -8.069 -2.420 21 HH11 ARG 3 HH11 ARG 3 5.409 -4.656 -3.034 22 HH12 ARG 3 HH12 ARG 3 6.939 -4.260 -2.324 23 HH21 ARG 3 HH21 ARG 3 7.729 -7.560 -1.483 24 HH22 ARG 3 HH22 ARG 3 8.258 -5.912 -1.444 25 H TRP 4 H TRP 4 0.312 -4.875 -5.559 26 HA TRP 4 HA TRP 4 -0.143 -4.821 -8.281 27 HB2 TRP 4 HB2 TRP 4 -1.983 -3.628 -6.200 28 HB3 TRP 4 HB3 TRP 4 -2.439 -4.273 -7.773 29 HD1 TRP 4 HD1 TRP 4 -2.739 -5.226 -4.365 30 HE1 TRP 4 HE1 TRP 4 -2.816 -7.780 -4.049 31 HE3 TRP 4 HE3 TRP 4 -0.943 -6.666 -8.930 32 HZ2 TRP 4 HZ2 TRP 4 -2.197 -10.097 -5.536 33 HZ3 TRP 4 HZ3 TRP 4 -0.715 -9.069 -9.404 34 HH2 TRP 4 HH2 TRP 4 -1.330 -10.748 -7.741 35 H ASN 5 H ASN 5 0.301 -2.135 -6.056 36 HA ASN 5 HA ASN 5 -0.544 -0.044 -7.708 37 HB2 ASN 5 HB2 ASN 5 1.639 -0.031 -5.611 38 HB3 ASN 5 HB3 ASN 5 0.873 1.400 -6.292 39 HD21 ASN 5 HD21 ASN 5 0.672 1.469 -3.776 40 HD22 ASN 5 HD22 ASN 5 -0.850 0.919 -3.167 41 H LEU 6 H LEU 6 2.510 -1.775 -7.548 42 HA LEU 6 HA LEU 6 3.724 -0.016 -9.525 43 HB2 LEU 6 HB2 LEU 6 4.806 -2.470 -8.148 44 HB3 LEU 6 HB3 LEU 6 5.722 -1.402 -9.210 45 HG LEU 6 HG LEU 6 6.381 -0.771 -7.069 46 HD11 LEU 6 HD11 LEU 6 5.336 1.060 -8.618 47 HD12 LEU 6 HD12 LEU 6 5.828 1.452 -6.971 48 HD13 LEU 6 HD13 LEU 6 4.128 1.160 -7.337 49 HD21 LEU 6 HD21 LEU 6 4.108 -1.990 -6.202 50 HD22 LEU 6 HD22 LEU 6 3.745 -0.296 -5.876 51 HD23 LEU 6 HD23 LEU 6 5.189 -1.036 -5.186 52 H GLY 7 H GLY 7 1.458 -2.155 -9.876 53 HA2 GLY 7 HA2 GLY 7 0.791 -3.627 -11.508 54 HA3 GLY 7 HA3 GLY 7 1.836 -2.685 -12.562 55 H TYR 8 H TYR 8 2.984 -4.513 -9.796 56 HA TYR 8 HA TYR 8 5.020 -5.792 -11.220 57 HB2 TYR 8 HB2 TYR 8 5.199 -5.568 -8.838 58 HB3 TYR 8 HB3 TYR 8 3.717 -6.482 -8.584 59 HD1 TYR 8 HD1 TYR 8 6.698 -7.187 -10.719 60 HD2 TYR 8 HD2 TYR 8 4.284 -8.412 -7.435 61 HE1 TYR 8 HE1 TYR 8 8.013 -9.258 -10.532 62 HE2 TYR 8 HE2 TYR 8 5.592 -10.486 -7.239 63 HH TYR 8 HH TYR 8 8.539 -10.937 -8.617 64 H GLY 9 H GLY 9 1.885 -7.069 -10.109 65 HA2 GLY 9 HA2 GLY 9 2.112 -9.665 -11.045 66 HA3 GLY 9 HA3 GLY 9 0.594 -8.788 -10.915 67 H ILE 10 H ILE 10 1.097 -6.773 -12.817 68 HA ILE 10 HA ILE 10 0.182 -7.919 -15.151 69 HB ILE 10 HB ILE 10 1.828 -5.395 -14.939 70 HG12 ILE 10 HG12 ILE 10 -1.166 -5.812 -14.782 71 HG13 ILE 10 HG13 ILE 10 -0.117 -5.380 -13.436 72 HG21 ILE 10 HG21 ILE 10 -0.169 -6.223 -17.042 73 HG22 ILE 10 HG22 ILE 10 0.767 -4.729 -17.004 74 HG23 ILE 10 HG23 ILE 10 1.584 -6.275 -17.233 75 HD11 ILE 10 HD11 ILE 10 -0.559 -3.694 -15.889 76 HD12 ILE 10 HD12 ILE 10 -1.365 -3.468 -14.337 77 HD13 ILE 10 HD13 ILE 10 0.380 -3.257 -14.463 78 HA PRO 11 HA PRO 11 3.725 -9.976 -16.819 79 HB2 PRO 11 HB2 PRO 11 2.738 -10.402 -19.312 80 HB3 PRO 11 HB3 PRO 11 2.223 -11.335 -17.902 81 HG2 PRO 11 HG2 PRO 11 0.880 -9.013 -19.231 82 HG3 PRO 11 HG3 PRO 11 0.167 -10.518 -18.621 83 HD2 PRO 11 HD2 PRO 11 0.059 -8.191 -17.240 84 HD3 PRO 11 HD3 PRO 11 0.150 -9.774 -16.440 85 H HIS 12 H HIS 12 5.544 -9.005 -17.431 86 HA HIS 12 HA HIS 12 5.397 -6.892 -19.481 87 HB2 HIS 12 HB2 HIS 12 7.537 -7.041 -17.364 88 HB3 HIS 12 HB3 HIS 12 7.113 -5.676 -18.396 89 HD1 HIS 12 HD1 HIS 12 6.968 -6.409 -15.048 90 HD2 HIS 12 HD2 HIS 12 4.051 -5.181 -17.740 91 HE1 HIS 12 HE1 HIS 12 5.149 -5.387 -13.646 92 H LYS 13 H LYS 13 7.371 -6.631 -20.777 93 HA LYS 13 HA LYS 13 8.690 -9.228 -21.217 94 HB2 LYS 13 HB2 LYS 13 7.146 -8.201 -23.022 95 HB3 LYS 13 HB3 LYS 13 8.464 -7.071 -23.299 96 HG2 LYS 13 HG2 LYS 13 9.887 -8.726 -24.089 97 HG3 LYS 13 HG3 LYS 13 8.952 -10.023 -23.341 98 HD2 LYS 13 HD2 LYS 13 7.140 -9.654 -24.924 99 HD3 LYS 13 HD3 LYS 13 8.025 -8.309 -25.647 100 HE2 LYS 13 HE2 LYS 13 9.176 -11.080 -25.509 101 HE3 LYS 13 HE3 LYS 13 8.127 -10.572 -26.833 102 HZ1 LYS 13 HZ1 LYS 13 9.811 -9.516 -27.783 103 HZ2 LYS 13 HZ2 LYS 13 10.847 -10.182 -26.625 104 HZ3 LYS 13 HZ3 LYS 13 10.166 -8.654 -26.370 105 H GLN 14 H GLN 14 10.688 -9.214 -20.427 106 HA GLN 14 HA GLN 14 12.177 -6.836 -19.961 107 HB2 GLN 14 HB2 GLN 14 12.554 -8.701 -18.515 108 HB3 GLN 14 HB3 GLN 14 12.923 -9.758 -19.872 109 HG2 GLN 14 HG2 GLN 14 15.031 -8.898 -20.153 110 HG3 GLN 14 HG3 GLN 14 14.614 -7.354 -19.411 111 HE21 GLN 14 HE21 GLN 14 16.018 -7.177 -17.790 112 HE22 GLN 14 HE22 GLN 14 16.239 -8.337 -16.530 113 H VAL 15 H VAL 15 13.711 -5.852 -21.153 114 HA VAL 15 HA VAL 15 14.808 -7.186 -23.504 115 HB VAL 15 HB VAL 15 14.361 -5.148 -24.905 116 HG11 VAL 15 HG11 VAL 15 13.080 -7.256 -25.104 117 HG12 VAL 15 HG12 VAL 15 11.895 -6.609 -23.969 118 HG13 VAL 15 HG13 VAL 15 12.137 -5.832 -25.533 119 HG21 VAL 15 HG21 VAL 15 13.857 -3.521 -23.234 120 HG22 VAL 15 HG22 VAL 15 12.397 -3.764 -24.194 121 HG23 VAL 15 HG23 VAL 15 12.535 -4.500 -22.598 122 H LYS 16 H LYS 16 16.718 -6.208 -24.320 123 HA LYS 16 HA LYS 16 18.290 -4.926 -22.290 124 HB2 LYS 16 HB2 LYS 16 19.062 -5.399 -25.169 125 HB3 LYS 16 HB3 LYS 16 20.137 -5.170 -23.797 126 HG2 LYS 16 HG2 LYS 16 18.886 -7.317 -22.906 127 HG3 LYS 16 HG3 LYS 16 18.608 -7.572 -24.631 128 HD2 LYS 16 HD2 LYS 16 20.610 -8.666 -24.341 129 HD3 LYS 16 HD3 LYS 16 21.171 -7.060 -24.810 130 HE2 LYS 16 HE2 LYS 16 21.641 -6.480 -22.549 131 HE3 LYS 16 HE3 LYS 16 20.828 -7.924 -21.947 132 HZ1 LYS 16 HZ1 LYS 16 23.035 -8.364 -23.788 133 HZ2 LYS 16 HZ2 LYS 16 22.598 -9.220 -22.395 134 HZ3 LYS 16 HZ3 LYS 16 23.451 -7.765 -22.260 135 H LEU 17 H LEU 17 18.724 -2.824 -22.047 136 HA LEU 17 HA LEU 17 17.460 -0.928 -23.841 137 HB2 LEU 17 HB2 LEU 17 18.890 -0.667 -21.212 138 HB3 LEU 17 HB3 LEU 17 18.382 0.736 -22.151 139 HG LEU 17 HG LEU 17 16.322 -1.298 -21.489 140 HD11 LEU 17 HD11 LEU 17 15.954 -0.068 -19.309 141 HD12 LEU 17 HD12 LEU 17 17.591 0.558 -19.495 142 HD13 LEU 17 HD13 LEU 17 17.323 -1.179 -19.359 143 HD21 LEU 17 HD21 LEU 17 14.918 0.681 -21.339 144 HD22 LEU 17 HD22 LEU 17 15.808 0.668 -22.861 145 HD23 LEU 17 HD23 LEU 17 16.329 1.718 -21.543 146 HA PRO 18 HA PRO 18 21.008 0.287 -26.121 147 HB2 PRO 18 HB2 PRO 18 20.611 2.960 -26.384 148 HB3 PRO 18 HB3 PRO 18 19.647 1.757 -27.248 149 HG2 PRO 18 HG2 PRO 18 18.991 3.270 -24.750 150 HG3 PRO 18 HG3 PRO 18 17.958 2.914 -26.147 151 HD2 PRO 18 HD2 PRO 18 17.826 1.501 -23.840 152 HD3 PRO 18 HD3 PRO 18 17.506 0.772 -25.426 153 H ASN 19 H ASN 19 20.481 1.449 -22.960 154 HA ASN 19 HA ASN 19 22.864 3.059 -22.790 155 HB2 ASN 19 HB2 ASN 19 20.906 2.060 -20.717 156 HB3 ASN 19 HB3 ASN 19 22.319 3.030 -20.313 157 HD21 ASN 19 HD21 ASN 19 19.158 3.004 -21.664 158 HD22 ASN 19 HD22 ASN 19 18.999 4.712 -21.879 159 H GLY 20 H GLY 20 22.078 -0.264 -22.488 160 HA2 GLY 20 HA2 GLY 20 23.931 -1.839 -22.563 161 HA3 GLY 20 HA3 GLY 20 24.796 -0.780 -21.457 162 H GLN 21 H GLN 21 22.189 -0.414 -19.942 163 HA GLN 21 HA GLN 21 22.507 -2.807 -18.293 164 HB2 GLN 21 HB2 GLN 21 21.019 -0.258 -17.650 165 HB3 GLN 21 HB3 GLN 21 21.436 -1.544 -16.526 166 HG2 GLN 21 HG2 GLN 21 23.862 -1.038 -17.102 167 HG3 GLN 21 HG3 GLN 21 23.252 0.439 -17.847 168 HE21 GLN 21 HE21 GLN 21 24.966 -0.091 -15.456 169 HE22 GLN 21 HE22 GLN 21 24.209 0.780 -14.170 170 H LEU 22 H LEU 22 20.473 -3.604 -17.192 171 HA LEU 22 HA LEU 22 18.466 -4.072 -19.253 172 HB2 LEU 22 HB2 LEU 22 19.044 -5.356 -16.598 173 HB3 LEU 22 HB3 LEU 22 17.600 -5.733 -17.534 174 HG LEU 22 HG LEU 22 20.458 -6.216 -18.371 175 HD11 LEU 22 HD11 LEU 22 19.473 -7.730 -16.628 176 HD12 LEU 22 HD12 LEU 22 19.978 -8.527 -18.118 177 HD13 LEU 22 HD13 LEU 22 18.269 -8.208 -17.825 178 HD21 LEU 22 HD21 LEU 22 17.863 -6.724 -19.821 179 HD22 LEU 22 HD22 LEU 22 19.431 -7.367 -20.310 180 HD23 LEU 22 HD23 LEU 22 19.154 -5.625 -20.307 181 H CYS 23 H CYS 23 16.178 -3.985 -18.743 182 HA CYS 23 HA CYS 23 15.318 -1.549 -17.778 183 HB2 CYS 23 HB2 CYS 23 13.718 -4.117 -17.767 184 HB3 CYS 23 HB3 CYS 23 13.069 -2.481 -17.776 185 H LYS 24 H LYS 24 13.965 -1.058 -15.894 186 HA LYS 24 HA LYS 24 15.133 -2.226 -13.486 187 HB2 LYS 24 HB2 LYS 24 14.007 0.371 -14.229 188 HB3 LYS 24 HB3 LYS 24 13.456 -0.196 -12.659 189 HG2 LYS 24 HG2 LYS 24 16.344 0.015 -13.479 190 HG3 LYS 24 HG3 LYS 24 15.468 1.229 -12.543 191 HD2 LYS 24 HD2 LYS 24 15.263 -0.175 -10.692 192 HD3 LYS 24 HD3 LYS 24 15.585 -1.628 -11.641 193 HE2 LYS 24 HE2 LYS 24 17.634 0.534 -11.209 194 HE3 LYS 24 HE3 LYS 24 17.449 -0.838 -10.117 195 HZ1 LYS 24 HZ1 LYS 24 18.395 -0.799 -12.901 196 HZ2 LYS 24 HZ2 LYS 24 17.665 -2.199 -12.296 197 HZ3 LYS 24 HZ3 LYS 24 19.056 -1.584 -11.555 198 H GLU 25 H GLU 25 13.870 -2.971 -11.740 199 HA GLU 25 HA GLU 25 11.359 -4.178 -12.577 200 HB2 GLU 25 HB2 GLU 25 12.771 -4.523 -9.933 201 HB3 GLU 25 HB3 GLU 25 11.546 -5.568 -10.638 202 HG2 GLU 25 HG2 GLU 25 13.680 -5.393 -12.484 203 HG3 GLU 25 HG3 GLU 25 14.368 -5.706 -10.892 204 HA PRO 26 HA PRO 26 8.694 -1.402 -10.466 205 HB2 PRO 26 HB2 PRO 26 6.699 -3.077 -9.700 206 HB3 PRO 26 HB3 PRO 26 6.945 -2.580 -11.378 207 HG2 PRO 26 HG2 PRO 26 7.769 -5.113 -10.013 208 HG3 PRO 26 HG3 PRO 26 7.051 -4.891 -11.619 209 HD2 PRO 26 HD2 PRO 26 9.703 -5.296 -11.249 210 HD3 PRO 26 HD3 PRO 26 9.064 -4.300 -12.573 211 H GLY 27 H GLY 27 9.231 -0.522 -8.565 212 HA2 GLY 27 HA2 GLY 27 8.791 -0.482 -6.188 213 HA3 GLY 27 HA3 GLY 27 9.052 -2.220 -6.162 214 H ASP 28 H ASP 28 11.436 -2.079 -7.846 215 HA ASP 28 HA ASP 28 13.337 -1.534 -5.750 216 HB2 ASP 28 HB2 ASP 28 13.510 -2.699 -8.512 217 HB3 ASP 28 HB3 ASP 28 14.974 -2.234 -7.650 218 H SER 29 H SER 29 14.966 -0.002 -5.755 219 HA SER 29 HA SER 29 14.380 2.514 -6.794 220 HB2 SER 29 HB2 SER 29 16.581 3.186 -6.038 221 HB3 SER 29 HB3 SER 29 15.898 2.063 -4.862 222 HG SER 29 HG SER 29 18.199 1.798 -5.754 223 H CYS 30 H CYS 30 15.372 3.766 -8.435 224 HA CYS 30 HA CYS 30 16.668 2.191 -10.561 225 HB2 CYS 30 HB2 CYS 30 14.897 4.534 -11.182 226 HB3 CYS 30 HB3 CYS 30 15.369 3.195 -12.222 227 H SER 31 H SER 31 17.623 3.821 -12.262 228 HA SER 31 HA SER 31 19.243 5.738 -10.730 229 HB2 SER 31 HB2 SER 31 19.791 4.078 -13.169 230 HB3 SER 31 HB3 SER 31 20.718 5.550 -12.882 231 HG SER 31 HG SER 31 21.883 4.310 -11.653 232 H LYS 32 H LYS 32 17.157 5.367 -13.506 233 HA LYS 32 HA LYS 32 16.764 8.222 -13.635 234 HB2 LYS 32 HB2 LYS 32 18.193 6.719 -15.804 235 HB3 LYS 32 HB3 LYS 32 17.201 8.115 -16.202 236 HG2 LYS 32 HG2 LYS 32 18.616 9.273 -14.329 237 HG3 LYS 32 HG3 LYS 32 19.757 7.972 -14.682 238 HD2 LYS 32 HD2 LYS 32 19.614 8.632 -17.098 239 HD3 LYS 32 HD3 LYS 32 18.674 10.038 -16.594 240 HE2 LYS 32 HE2 LYS 32 21.336 9.477 -15.349 241 HE3 LYS 32 HE3 LYS 32 21.244 10.254 -16.929 242 HZ1 LYS 32 HZ1 LYS 32 20.264 12.119 -16.056 243 HZ2 LYS 32 HZ2 LYS 32 21.293 11.684 -14.786 244 HZ3 LYS 32 HZ3 LYS 32 19.643 11.315 -14.702 245 H ARG 33 H ARG 33 14.916 8.821 -14.852 246 HA ARG 33 HA ARG 33 12.761 7.079 -14.712 247 HB2 ARG 33 HB2 ARG 33 12.834 9.658 -15.012 248 HB3 ARG 33 HB3 ARG 33 12.845 9.297 -16.732 249 HG2 ARG 33 HG2 ARG 33 10.752 7.962 -16.366 250 HG3 ARG 33 HG3 ARG 33 10.714 8.614 -14.726 251 HD2 ARG 33 HD2 ARG 33 10.535 10.857 -15.559 252 HD3 ARG 33 HD3 ARG 33 10.784 10.308 -17.217 253 HE ARG 33 HE ARG 33 8.564 8.960 -16.343 254 HH11 ARG 33 HH11 ARG 33 9.497 12.300 -16.650 255 HH12 ARG 33 HH12 ARG 33 7.880 12.862 -16.921 256 HH21 ARG 33 HH21 ARG 33 6.431 9.689 -16.700 257 HH22 ARG 33 HH22 ARG 33 6.137 11.376 -16.948 258 H ASP 34 H ASP 34 15.056 7.610 -17.296 259 HA ASP 34 HA ASP 34 13.612 6.291 -19.346 260 HB2 ASP 34 HB2 ASP 34 15.570 7.851 -19.669 261 HB3 ASP 34 HB3 ASP 34 16.616 6.537 -19.135 262 H GLU 35 H GLU 35 15.449 5.167 -16.661 263 HA GLU 35 HA GLU 35 16.225 2.637 -17.636 264 HB2 GLU 35 HB2 GLU 35 15.600 3.456 -14.792 265 HB3 GLU 35 HB3 GLU 35 16.491 2.019 -15.276 266 HG2 GLU 35 HG2 GLU 35 17.359 4.847 -15.823 267 HG3 GLU 35 HG3 GLU 35 17.940 3.848 -14.493 268 H CYS 36 H CYS 36 13.235 3.846 -16.288 269 HA CYS 36 HA CYS 36 12.035 1.309 -15.810 270 HB2 CYS 36 HB2 CYS 36 11.365 3.607 -14.855 271 HB3 CYS 36 HB3 CYS 36 10.509 3.842 -16.375 272 H CYS 37 H CYS 37 11.454 -0.113 -17.297 273 HA CYS 37 HA CYS 37 11.192 0.623 -20.065 274 HB2 CYS 37 HB2 CYS 37 11.320 -1.877 -18.505 275 HB3 CYS 37 HB3 CYS 37 10.336 -1.959 -19.963 276 H LYS 38 H LYS 38 9.233 -0.652 -21.201 277 HA LYS 38 HA LYS 38 6.806 0.451 -19.962 278 HB2 LYS 38 HB2 LYS 38 7.101 -0.369 -22.846 279 HB3 LYS 38 HB3 LYS 38 5.883 0.681 -22.135 280 HG2 LYS 38 HG2 LYS 38 7.533 2.403 -21.756 281 HG3 LYS 38 HG3 LYS 38 8.815 1.341 -22.345 282 HD2 LYS 38 HD2 LYS 38 6.494 1.840 -24.133 283 HD3 LYS 38 HD3 LYS 38 7.652 3.153 -23.902 284 HE2 LYS 38 HE2 LYS 38 8.534 2.047 -25.728 285 HE3 LYS 38 HE3 LYS 38 9.428 1.324 -24.393 286 HZ1 LYS 38 HZ1 LYS 38 8.164 -0.081 -26.274 287 HZ2 LYS 38 HZ2 LYS 38 6.954 -0.009 -25.094 288 HZ3 LYS 38 HZ3 LYS 38 8.466 -0.663 -24.715 289 H ALA 39 H ALA 39 4.919 -0.768 -19.835 290 HA ALA 39 HA ALA 39 5.284 -3.559 -19.418 291 HB1 ALA 39 HB1 ALA 39 2.641 -2.134 -19.618 292 HB2 ALA 39 HB2 ALA 39 3.022 -3.608 -18.724 293 HB3 ALA 39 HB3 ALA 39 3.670 -2.058 -18.188 294 H ASP 40 H ASP 40 3.817 -5.211 -20.414 295 HA ASP 40 HA ASP 40 4.292 -5.501 -23.117 296 HB2 ASP 40 HB2 ASP 40 2.255 -6.734 -21.282 297 HB3 ASP 40 HB3 ASP 40 2.288 -7.144 -22.995 298 H ASP 41 H ASP 41 1.414 -4.203 -21.516 299 HA ASP 41 HA ASP 41 0.379 -3.384 -24.147 300 HB2 ASP 41 HB2 ASP 41 -0.957 -4.792 -22.318 301 HB3 ASP 41 HB3 ASP 41 -1.304 -3.181 -21.698 302 H GLN 42 H GLN 42 2.385 -1.818 -23.447 303 HA GLN 42 HA GLN 42 1.993 0.290 -21.701 304 HB2 GLN 42 HB2 GLN 42 3.537 1.571 -23.186 305 HB3 GLN 42 HB3 GLN 42 4.126 -0.029 -22.755 306 HG2 GLN 42 HG2 GLN 42 4.017 -0.794 -24.872 307 HG3 GLN 42 HG3 GLN 42 2.587 0.159 -25.261 308 HE21 GLN 42 HE21 GLN 42 3.270 2.676 -24.884 309 HE22 GLN 42 HE22 GLN 42 4.612 3.134 -25.870 310 H LYS 43 H LYS 43 0.555 -0.298 -24.806 311 HA LYS 43 HA LYS 43 -0.260 2.258 -25.532 312 HB2 LYS 43 HB2 LYS 43 -1.553 -0.432 -25.965 313 HB3 LYS 43 HB3 LYS 43 -2.184 1.047 -26.674 314 HG2 LYS 43 HG2 LYS 43 -0.357 1.305 -28.078 315 HG3 LYS 43 HG3 LYS 43 0.669 0.255 -27.098 316 HD2 LYS 43 HD2 LYS 43 -0.304 -1.681 -27.924 317 HD3 LYS 43 HD3 LYS 43 -1.777 -0.848 -28.423 318 HE2 LYS 43 HE2 LYS 43 0.904 -0.345 -29.695 319 HE3 LYS 43 HE3 LYS 43 -0.217 -1.574 -30.278 320 HZ1 LYS 43 HZ1 LYS 43 -1.728 0.697 -30.046 321 HZ2 LYS 43 HZ2 LYS 43 -1.130 0.034 -31.481 322 HZ3 LYS 43 HZ3 LYS 43 -0.262 1.247 -30.684 323 H THR 44 H THR 44 -1.501 0.108 -23.091 324 HA THR 44 HA THR 44 -3.654 2.032 -22.506 325 HB THR 44 HB THR 44 -4.561 0.034 -21.109 326 HG1 THR 44 HG1 THR 44 -3.950 -1.988 -22.193 327 HG21 THR 44 HG21 THR 44 -6.077 0.218 -22.735 328 HG22 THR 44 HG22 THR 44 -5.130 -0.931 -23.679 329 HG23 THR 44 HG23 THR 44 -4.860 0.801 -23.869 330 H TYR 45 H TYR 45 -1.074 0.075 -21.112 331 HA TYR 45 HA TYR 45 -1.454 1.364 -18.514 332 HB2 TYR 45 HB2 TYR 45 0.588 -0.755 -19.153 333 HB3 TYR 45 HB3 TYR 45 -0.091 -0.330 -17.586 334 HD1 TYR 45 HD1 TYR 45 -3.001 -0.246 -18.379 335 HD2 TYR 45 HD2 TYR 45 0.075 -3.053 -19.249 336 HE1 TYR 45 HE1 TYR 45 -4.692 -2.014 -18.630 337 HE2 TYR 45 HE2 TYR 45 -1.607 -4.829 -19.504 338 HH TYR 45 HH TYR 45 -4.540 -4.507 -20.120 339 H SER 46 H SER 46 0.219 2.478 -17.457 340 HA SER 46 HA SER 46 2.210 3.626 -19.291 341 HB2 SER 46 HB2 SER 46 0.596 5.201 -18.228 342 HB3 SER 46 HB3 SER 46 1.228 4.734 -16.649 343 HG SER 46 HG SER 46 2.855 5.774 -18.721 344 H SER 47 H SER 47 4.281 4.326 -18.203 345 HA SER 47 HA SER 47 5.103 2.693 -15.945 346 HB2 SER 47 HB2 SER 47 6.965 1.647 -17.106 347 HB3 SER 47 HB3 SER 47 5.463 1.244 -17.938 348 HG SER 47 HG SER 47 6.014 3.133 -19.315 349 H GLY 48 H GLY 48 6.824 3.539 -14.823 350 HA2 GLY 48 HA2 GLY 48 8.704 5.370 -15.793 351 HA3 GLY 48 HA3 GLY 48 7.360 6.289 -15.131 352 H CYS 49 H CYS 49 10.022 6.339 -14.146 353 HA CYS 49 HA CYS 49 9.618 5.135 -11.486 354 HB2 CYS 49 HB2 CYS 49 11.525 4.214 -12.975 355 HB3 CYS 49 HB3 CYS 49 12.338 5.735 -12.621 356 H ALA 50 H ALA 50 8.987 6.746 -10.195 357 HA ALA 50 HA ALA 50 10.563 9.236 -10.236 358 HB1 ALA 50 HB1 ALA 50 7.610 8.853 -10.174 359 HB2 ALA 50 HB2 ALA 50 8.311 10.227 -9.318 360 HB3 ALA 50 HB3 ALA 50 8.577 10.040 -11.052 361 H GLN 51 H GLN 51 10.711 10.351 -8.191 362 HA GLN 51 HA GLN 51 11.369 8.684 -6.049 363 HB2 GLN 51 HB2 GLN 51 10.657 11.616 -5.904 364 HB3 GLN 51 HB3 GLN 51 11.616 10.713 -4.739 365 HG2 GLN 51 HG2 GLN 51 13.397 10.449 -6.289 366 HG3 GLN 51 HG3 GLN 51 12.419 11.088 -7.610 367 HE21 GLN 51 HE21 GLN 51 14.927 11.839 -5.802 368 HE22 GLN 51 HE22 GLN 51 14.743 13.551 -5.660 369 H THR 52 H THR 52 10.331 8.064 -4.202 370 HA THR 52 HA THR 52 7.645 9.031 -3.649 371 HB THR 52 HB THR 52 6.681 6.764 -3.531 372 HG1 THR 52 HG1 THR 52 8.112 5.203 -3.495 373 HG21 THR 52 HG21 THR 52 6.445 6.391 -5.933 374 HG22 THR 52 HG22 THR 52 7.847 7.416 -6.242 375 HG23 THR 52 HG23 THR 52 6.376 8.113 -5.562 376 H TRP 53 H TRP 53 7.382 9.258 -1.527 377 HA TRP 53 HA TRP 53 9.342 8.783 0.354 378 HB2 TRP 53 HB2 TRP 53 7.550 10.308 0.839 379 HB3 TRP 53 HB3 TRP 53 6.352 9.023 0.707 380 HD1 TRP 53 HD1 TRP 53 5.734 7.781 2.886 381 HE1 TRP 53 HE1 TRP 53 6.613 7.806 5.304 382 HE3 TRP 53 HE3 TRP 53 9.914 10.644 2.201 383 HZ2 TRP 53 HZ2 TRP 53 8.790 8.895 6.733 384 HZ3 TRP 53 HZ3 TRP 53 11.340 11.132 4.145 385 HH2 TRP 53 HH2 TRP 53 10.788 10.275 6.364 386 H SER 54 H SER 54 10.226 6.897 0.877 387 HA SER 54 HA SER 54 8.520 4.509 1.002 388 HB2 SER 54 HB2 SER 54 10.591 4.514 -0.459 389 HB3 SER 54 HB3 SER 54 11.541 4.588 1.025 390 HG SER 54 HG SER 54 9.624 2.574 0.459 391 H ALA 55 H ALA 55 7.786 4.024 2.955 392 HA ALA 55 HA ALA 55 8.921 5.049 5.355 393 HB1 ALA 55 HB1 ALA 55 6.469 4.281 4.781 394 HB2 ALA 55 HB2 ALA 55 7.047 2.739 5.414 395 HB3 ALA 55 HB3 ALA 55 7.095 4.183 6.426 396 H MET 56 H MET 56 8.908 1.854 3.817 397 HA MET 56 HA MET 56 10.245 0.470 5.862 398 HB2 MET 56 HB2 MET 56 9.903 0.005 2.917 399 HB3 MET 56 HB3 MET 56 10.949 -1.045 3.864 400 HG2 MET 56 HG2 MET 56 8.921 -1.327 5.411 401 HG3 MET 56 HG3 MET 56 7.990 -0.656 4.073 402 HE1 MET 56 HE1 MET 56 7.530 -3.241 1.615 403 HE2 MET 56 HE2 MET 56 7.516 -1.534 2.059 404 HE3 MET 56 HE3 MET 56 8.930 -2.226 1.264 405 H GLU 57 H GLU 57 11.510 1.976 2.894 406 HA GLU 57 HA GLU 57 14.230 1.408 3.504 407 HB2 GLU 57 HB2 GLU 57 13.197 3.566 1.663 408 HB3 GLU 57 HB3 GLU 57 14.775 2.792 1.618 409 HG2 GLU 57 HG2 GLU 57 12.185 1.341 1.144 410 HG3 GLU 57 HG3 GLU 57 13.178 2.032 -0.138 411 H GLY 58 H GLY 58 12.074 4.086 4.176 412 HA2 GLY 58 HA2 GLY 58 12.296 5.744 5.777 413 HA3 GLY 58 HA3 GLY 58 13.874 5.086 6.187 414 H GLY 59 H GLY 59 12.926 6.056 2.945 415 HA2 GLY 59 HA2 GLY 59 14.012 8.674 3.047 416 HA3 GLY 59 HA3 GLY 59 15.216 7.546 2.441 417 H PHE 60 H PHE 60 13.800 9.797 1.127 418 HA PHE 60 HA PHE 60 11.880 8.862 -0.691 419 HB2 PHE 60 HB2 PHE 60 13.780 11.189 -0.699 420 HB3 PHE 60 HB3 PHE 60 12.771 10.857 -2.102 421 HD1 PHE 60 HD1 PHE 60 12.965 12.516 0.996 422 HD2 PHE 60 HD2 PHE 60 10.227 10.582 -1.626 423 HE1 PHE 60 HE1 PHE 60 11.100 13.720 2.060 424 HE2 PHE 60 HE2 PHE 60 8.359 11.783 -0.568 425 HZ PHE 60 HZ PHE 60 8.794 13.356 1.278 426 H VAL 61 H VAL 61 12.064 7.432 -2.271 427 HA VAL 61 HA VAL 61 14.561 7.300 -3.804 428 HB VAL 61 HB VAL 61 14.273 4.770 -3.858 429 HG11 VAL 61 HG11 VAL 61 15.082 4.879 -1.209 430 HG12 VAL 61 HG12 VAL 61 16.113 5.050 -2.632 431 HG13 VAL 61 HG13 VAL 61 15.454 6.483 -1.842 432 HG21 VAL 61 HG21 VAL 61 11.936 5.098 -2.703 433 HG22 VAL 61 HG22 VAL 61 12.920 3.675 -2.361 434 HG23 VAL 61 HG23 VAL 61 12.896 5.026 -1.227 435 H ARG 62 H ARG 62 14.334 6.618 -5.944 436 HA ARG 62 HA ARG 62 11.657 6.950 -7.018 437 HB2 ARG 62 HB2 ARG 62 14.271 6.551 -8.483 438 HB3 ARG 62 HB3 ARG 62 12.746 7.069 -9.189 439 HG2 ARG 62 HG2 ARG 62 12.872 9.178 -8.231 440 HG3 ARG 62 HG3 ARG 62 14.033 8.658 -7.009 441 HD2 ARG 62 HD2 ARG 62 15.305 9.908 -8.520 442 HD3 ARG 62 HD3 ARG 62 15.624 8.232 -8.961 443 HE ARG 62 HE ARG 62 14.568 8.584 -10.970 444 HH11 ARG 62 HH11 ARG 62 13.931 11.254 -8.829 445 HH12 ARG 62 HH12 ARG 62 13.208 12.238 -10.057 446 HH21 ARG 62 HH21 ARG 62 13.618 9.871 -12.598 447 HH22 ARG 62 HH22 ARG 62 13.030 11.449 -12.201 448 H GLU 63 H GLU 63 10.384 5.225 -7.133 449 HA GLU 63 HA GLU 63 11.592 2.641 -7.877 450 HB2 GLU 63 HB2 GLU 63 9.887 1.522 -6.617 451 HB3 GLU 63 HB3 GLU 63 10.605 2.748 -5.581 452 HG2 GLU 63 HG2 GLU 63 8.707 4.234 -6.060 453 HG3 GLU 63 HG3 GLU 63 7.978 2.959 -7.035 454 H CYS 64 H CYS 64 10.801 1.565 -9.599 455 HA CYS 64 HA CYS 64 9.224 2.935 -11.498 456 HB2 CYS 64 HB2 CYS 64 10.942 1.141 -11.973 457 HB3 CYS 64 HB3 CYS 64 9.751 -0.038 -11.436 458 H TYR 65 H TYR 65 7.117 2.599 -12.201 459 HA TYR 65 HA TYR 65 5.414 0.817 -10.629 460 HB2 TYR 65 HB2 TYR 65 3.729 2.631 -10.344 461 HB3 TYR 65 HB3 TYR 65 5.221 2.923 -9.458 462 HD1 TYR 65 HD1 TYR 65 3.297 3.882 -12.470 463 HD2 TYR 65 HD2 TYR 65 6.548 4.840 -9.895 464 HE1 TYR 65 HE1 TYR 65 3.502 6.080 -13.553 465 HE2 TYR 65 HE2 TYR 65 6.761 7.041 -10.973 466 HH TYR 65 HH TYR 65 5.867 7.860 -13.675 467 H ILE 66 H ILE 66 3.508 0.179 -11.671 468 HA ILE 66 HA ILE 66 3.131 1.103 -14.428 469 HB ILE 66 HB ILE 66 3.289 -1.800 -13.606 470 HG12 ILE 66 HG12 ILE 66 4.985 -0.294 -15.602 471 HG13 ILE 66 HG13 ILE 66 5.459 -0.542 -13.926 472 HG21 ILE 66 HG21 ILE 66 1.573 -1.691 -15.202 473 HG22 ILE 66 HG22 ILE 66 2.423 -0.478 -16.158 474 HG23 ILE 66 HG23 ILE 66 3.011 -2.140 -16.119 475 HD11 ILE 66 HD11 ILE 66 6.508 -2.156 -15.419 476 HD12 ILE 66 HD12 ILE 66 5.435 -2.948 -14.264 477 HD13 ILE 66 HD13 ILE 66 4.918 -2.716 -15.934 478 H CYS 67 H CYS 67 1.084 1.624 -14.787 479 HA CYS 67 HA CYS 67 -1.081 0.055 -13.688 480 HB2 CYS 67 HB2 CYS 67 -0.245 2.108 -12.118 481 HB3 CYS 67 HB3 CYS 67 -1.437 2.930 -13.121 482 H ALA 68 H ALA 68 -3.210 0.805 -14.501 483 HA ALA 68 HA ALA 68 -3.022 1.425 -17.288 484 HB1 ALA 68 HB1 ALA 68 -5.125 0.632 -17.436 485 HB2 ALA 68 HB2 ALA 68 -4.797 0.021 -15.814 486 HB3 ALA 68 HB3 ALA 68 -5.677 1.534 -16.024 487 H VAL 69 H VAL 69 -3.643 3.259 -18.371 488 HA VAL 69 HA VAL 69 -3.474 5.724 -16.933 489 HB VAL 69 HB VAL 69 -4.302 5.377 -19.814 490 HG11 VAL 69 HG11 VAL 69 -4.665 7.603 -19.130 491 HG12 VAL 69 HG12 VAL 69 -3.157 7.652 -18.213 492 HG13 VAL 69 HG13 VAL 69 -3.118 7.618 -19.977 493 HG21 VAL 69 HG21 VAL 69 -1.596 6.046 -19.726 494 HG22 VAL 69 HG22 VAL 69 -1.787 4.754 -18.541 495 HG23 VAL 69 HG23 VAL 69 -2.295 4.501 -20.211 496 H GLU 70 H GLU 70 -6.067 4.069 -18.711 497 HA GLU 70 HA GLU 70 -8.021 6.070 -18.110 498 HB2 GLU 70 HB2 GLU 70 -9.637 4.397 -19.010 499 HB3 GLU 70 HB3 GLU 70 -8.306 4.755 -20.100 500 HG2 GLU 70 HG2 GLU 70 -7.212 2.696 -19.538 501 HG3 GLU 70 HG3 GLU 70 -8.408 2.358 -18.287 502 H SER 71 H SER 71 -7.048 3.010 -16.689 503 HA SER 71 HA SER 71 -9.144 3.276 -14.651 504 HB2 SER 71 HB2 SER 71 -7.577 0.982 -15.734 505 HB3 SER 71 HB3 SER 71 -8.096 0.900 -14.051 506 HG SER 71 HG SER 71 -9.606 0.023 -15.627 507 H SER 72 H SER 72 -8.473 4.559 -13.045 508 HA SER 72 HA SER 72 -5.739 4.772 -12.246 509 HB2 SER 72 HB2 SER 72 -7.716 6.496 -12.036 510 HB3 SER 72 HB3 SER 72 -7.990 5.687 -10.493 511 HG SER 72 HG SER 72 -6.163 6.480 -9.732 512 H MET 73 H MET 73 -8.556 3.038 -11.056 513 HA MET 73 HA MET 73 -7.028 1.993 -8.797 514 HB2 MET 73 HB2 MET 73 -9.938 1.937 -9.545 515 HB3 MET 73 HB3 MET 73 -9.301 0.860 -8.309 516 HG2 MET 73 HG2 MET 73 -8.902 3.829 -8.194 517 HG3 MET 73 HG3 MET 73 -10.339 3.044 -7.540 518 HE1 MET 73 HE1 MET 73 -10.164 3.909 -5.410 519 HE2 MET 73 HE2 MET 73 -10.262 2.257 -4.801 520 HE3 MET 73 HE3 MET 73 -9.079 3.377 -4.125 521 H CYS 74 H CYS 74 -6.164 1.192 -11.353 522 HA CYS 74 HA CYS 74 -7.163 -1.179 -12.353 523 HB2 CYS 74 HB2 CYS 74 -4.989 -1.560 -13.319 524 HB3 CYS 74 HB3 CYS 74 -5.315 0.170 -13.356 Start of MODEL 17 1 H1 SER 1 H SER 1 1.758 1.413 -1.378 2 HA SER 1 HA SER 1 4.162 0.175 -1.116 3 HB2 SER 1 HB2 SER 1 2.651 0.912 0.755 4 HB3 SER 1 HB3 SER 1 1.739 -0.580 0.530 5 HG SER 1 HG SER 1 4.460 -0.315 1.283 6 H ASN 2 H ASN 2 1.082 -1.359 -1.902 7 HA ASN 2 HA ASN 2 2.079 -4.026 -1.819 8 HB2 ASN 2 HB2 ASN 2 -0.379 -2.860 -3.143 9 HB3 ASN 2 HB3 ASN 2 -0.041 -4.584 -3.018 10 HD21 ASN 2 HD21 ASN 2 -2.324 -3.330 -1.982 11 HD22 ASN 2 HD22 ASN 2 -2.288 -3.478 -0.261 12 H ARG 3 H ARG 3 2.462 -5.441 -3.586 13 HA ARG 3 HA ARG 3 4.109 -4.408 -5.593 14 HB2 ARG 3 HB2 ARG 3 3.982 -6.658 -6.602 15 HB3 ARG 3 HB3 ARG 3 4.275 -6.719 -4.870 16 HG2 ARG 3 HG2 ARG 3 1.824 -7.121 -4.558 17 HG3 ARG 3 HG3 ARG 3 1.696 -7.276 -6.311 18 HD2 ARG 3 HD2 ARG 3 2.853 -9.257 -6.359 19 HD3 ARG 3 HD3 ARG 3 3.741 -8.897 -4.879 20 HE ARG 3 HE ARG 3 1.241 -10.259 -5.091 21 HH11 ARG 3 HH11 ARG 3 3.155 -8.195 -3.044 22 HH12 ARG 3 HH12 ARG 3 2.395 -8.722 -1.580 23 HH21 ARG 3 HH21 ARG 3 0.232 -10.961 -3.171 24 HH22 ARG 3 HH22 ARG 3 0.732 -10.297 -1.653 25 H TRP 4 H TRP 4 0.684 -5.240 -5.617 26 HA TRP 4 HA TRP 4 0.139 -5.127 -8.321 27 HB2 TRP 4 HB2 TRP 4 -1.649 -4.016 -6.150 28 HB3 TRP 4 HB3 TRP 4 -2.147 -4.627 -7.726 29 HD1 TRP 4 HD1 TRP 4 -2.142 -5.675 -4.282 30 HE1 TRP 4 HE1 TRP 4 -2.241 -8.237 -4.053 31 HE3 TRP 4 HE3 TRP 4 -0.901 -6.966 -9.070 32 HZ2 TRP 4 HZ2 TRP 4 -1.844 -10.505 -5.686 33 HZ3 TRP 4 HZ3 TRP 4 -0.782 -9.353 -9.654 34 HH2 TRP 4 HH2 TRP 4 -1.244 -11.084 -7.996 35 H ASN 5 H ASN 5 0.518 -2.474 -6.029 36 HA ASN 5 HA ASN 5 -0.380 -0.368 -7.609 37 HB2 ASN 5 HB2 ASN 5 1.897 -0.310 -5.617 38 HB3 ASN 5 HB3 ASN 5 0.979 1.081 -6.185 39 HD21 ASN 5 HD21 ASN 5 -1.572 0.249 -6.090 40 HD22 ASN 5 HD22 ASN 5 -2.027 -0.139 -4.468 41 H LEU 6 H LEU 6 2.714 -2.033 -7.580 42 HA LEU 6 HA LEU 6 3.828 -0.203 -9.551 43 HB2 LEU 6 HB2 LEU 6 5.011 -2.662 -8.272 44 HB3 LEU 6 HB3 LEU 6 5.867 -1.536 -9.322 45 HG LEU 6 HG LEU 6 6.568 -0.948 -7.184 46 HD11 LEU 6 HD11 LEU 6 5.402 0.894 -8.644 47 HD12 LEU 6 HD12 LEU 6 5.956 1.251 -7.008 48 HD13 LEU 6 HD13 LEU 6 4.250 0.919 -7.308 49 HD21 LEU 6 HD21 LEU 6 3.856 -0.711 -6.003 50 HD22 LEU 6 HD22 LEU 6 5.389 -1.142 -5.245 51 HD23 LEU 6 HD23 LEU 6 4.521 -2.330 -6.220 52 H GLY 7 H GLY 7 1.603 -2.385 -9.884 53 HA2 GLY 7 HA2 GLY 7 0.917 -3.829 -11.535 54 HA3 GLY 7 HA3 GLY 7 1.924 -2.851 -12.592 55 H TYR 8 H TYR 8 3.170 -4.705 -9.892 56 HA TYR 8 HA TYR 8 5.182 -5.933 -11.400 57 HB2 TYR 8 HB2 TYR 8 5.403 -5.709 -9.005 58 HB3 TYR 8 HB3 TYR 8 3.985 -6.715 -8.735 59 HD1 TYR 8 HD1 TYR 8 6.910 -7.218 -10.997 60 HD2 TYR 8 HD2 TYR 8 4.730 -8.608 -7.617 61 HE1 TYR 8 HE1 TYR 8 8.350 -9.209 -10.895 62 HE2 TYR 8 HE2 TYR 8 6.167 -10.601 -7.504 63 HH TYR 8 HH TYR 8 8.695 -11.184 -9.921 64 H GLY 9 H GLY 9 2.045 -7.184 -10.296 65 HA2 GLY 9 HA2 GLY 9 2.288 -9.801 -11.216 66 HA3 GLY 9 HA3 GLY 9 0.767 -8.934 -11.049 67 H ILE 10 H ILE 10 1.220 -6.907 -12.950 68 HA ILE 10 HA ILE 10 0.267 -8.052 -15.272 69 HB ILE 10 HB ILE 10 1.877 -5.505 -15.071 70 HG12 ILE 10 HG12 ILE 10 -1.113 -5.941 -14.909 71 HG13 ILE 10 HG13 ILE 10 -0.066 -5.572 -13.542 72 HG21 ILE 10 HG21 ILE 10 1.613 -6.375 -17.368 73 HG22 ILE 10 HG22 ILE 10 -0.136 -6.350 -17.150 74 HG23 ILE 10 HG23 ILE 10 0.780 -4.842 -17.117 75 HD11 ILE 10 HD11 ILE 10 -1.406 -3.777 -15.218 76 HD12 ILE 10 HD12 ILE 10 -0.244 -3.407 -13.943 77 HD13 ILE 10 HD13 ILE 10 0.308 -3.623 -15.603 78 HA PRO 11 HA PRO 11 3.805 -10.047 -17.025 79 HB2 PRO 11 HB2 PRO 11 2.775 -10.470 -19.500 80 HB3 PRO 11 HB3 PRO 11 2.300 -11.420 -18.087 81 HG2 PRO 11 HG2 PRO 11 0.899 -9.108 -19.373 82 HG3 PRO 11 HG3 PRO 11 0.220 -10.627 -18.759 83 HD2 PRO 11 HD2 PRO 11 0.107 -8.312 -17.361 84 HD3 PRO 11 HD3 PRO 11 0.236 -9.899 -16.573 85 H HIS 12 H HIS 12 5.592 -9.010 -17.628 86 HA HIS 12 HA HIS 12 5.374 -6.893 -19.666 87 HB2 HIS 12 HB2 HIS 12 7.566 -7.035 -17.606 88 HB3 HIS 12 HB3 HIS 12 7.092 -5.664 -18.605 89 HD1 HIS 12 HD1 HIS 12 7.040 -6.468 -15.266 90 HD2 HIS 12 HD2 HIS 12 4.050 -5.213 -17.865 91 HE1 HIS 12 HE1 HIS 12 5.241 -5.495 -13.801 92 H LYS 13 H LYS 13 7.317 -6.592 -21.005 93 HA LYS 13 HA LYS 13 8.619 -9.178 -21.541 94 HB2 LYS 13 HB2 LYS 13 7.096 -8.006 -23.291 95 HB3 LYS 13 HB3 LYS 13 8.464 -6.925 -23.522 96 HG2 LYS 13 HG2 LYS 13 8.630 -8.594 -25.181 97 HG3 LYS 13 HG3 LYS 13 9.865 -8.962 -23.974 98 HD2 LYS 13 HD2 LYS 13 8.212 -10.557 -22.935 99 HD3 LYS 13 HD3 LYS 13 7.197 -10.309 -24.358 100 HE2 LYS 13 HE2 LYS 13 8.379 -12.205 -24.937 101 HE3 LYS 13 HE3 LYS 13 9.351 -10.931 -25.673 102 HZ1 LYS 13 HZ1 LYS 13 11.076 -11.513 -24.436 103 HZ2 LYS 13 HZ2 LYS 13 10.200 -12.847 -23.880 104 HZ3 LYS 13 HZ3 LYS 13 10.181 -11.400 -23.005 105 H GLN 14 H GLN 14 10.614 -9.243 -20.748 106 HA GLN 14 HA GLN 14 12.149 -6.928 -20.154 107 HB2 GLN 14 HB2 GLN 14 12.271 -9.231 -19.039 108 HB3 GLN 14 HB3 GLN 14 13.252 -9.717 -20.415 109 HG2 GLN 14 HG2 GLN 14 15.022 -8.390 -19.801 110 HG3 GLN 14 HG3 GLN 14 14.007 -7.279 -18.882 111 HE21 GLN 14 HE21 GLN 14 16.040 -7.801 -17.501 112 HE22 GLN 14 HE22 GLN 14 15.817 -9.046 -16.325 113 H VAL 15 H VAL 15 13.829 -5.986 -21.226 114 HA VAL 15 HA VAL 15 14.869 -7.172 -23.662 115 HB VAL 15 HB VAL 15 14.457 -5.016 -24.936 116 HG11 VAL 15 HG11 VAL 15 12.460 -5.808 -25.840 117 HG12 VAL 15 HG12 VAL 15 13.198 -7.249 -25.136 118 HG13 VAL 15 HG13 VAL 15 11.890 -6.422 -24.288 119 HG21 VAL 15 HG21 VAL 15 12.919 -3.453 -24.219 120 HG22 VAL 15 HG22 VAL 15 12.146 -4.572 -23.096 121 HG23 VAL 15 HG23 VAL 15 13.721 -3.882 -22.708 122 H LYS 16 H LYS 16 16.879 -6.398 -24.240 123 HA LYS 16 HA LYS 16 18.375 -5.104 -22.187 124 HB2 LYS 16 HB2 LYS 16 19.168 -5.737 -25.036 125 HB3 LYS 16 HB3 LYS 16 20.268 -5.292 -23.740 126 HG2 LYS 16 HG2 LYS 16 19.157 -7.376 -22.560 127 HG3 LYS 16 HG3 LYS 16 18.844 -7.848 -24.232 128 HD2 LYS 16 HD2 LYS 16 21.160 -7.815 -24.762 129 HD3 LYS 16 HD3 LYS 16 21.564 -7.018 -23.240 130 HE2 LYS 16 HE2 LYS 16 22.117 -9.161 -22.694 131 HE3 LYS 16 HE3 LYS 16 20.415 -9.180 -22.231 132 HZ1 LYS 16 HZ1 LYS 16 20.257 -9.883 -24.797 133 HZ2 LYS 16 HZ2 LYS 16 20.377 -10.995 -23.528 134 HZ3 LYS 16 HZ3 LYS 16 21.758 -10.556 -24.399 135 H LEU 17 H LEU 17 18.715 -3.007 -21.874 136 HA LEU 17 HA LEU 17 17.606 -1.076 -23.699 137 HB2 LEU 17 HB2 LEU 17 19.013 -0.885 -21.055 138 HB3 LEU 17 HB3 LEU 17 18.605 0.550 -21.993 139 HG LEU 17 HG LEU 17 16.422 -1.371 -21.378 140 HD11 LEU 17 HD11 LEU 17 16.068 -0.177 -19.202 141 HD12 LEU 17 HD12 LEU 17 17.708 0.452 -19.358 142 HD13 LEU 17 HD13 LEU 17 17.438 -1.286 -19.233 143 HD21 LEU 17 HD21 LEU 17 15.199 0.798 -21.119 144 HD22 LEU 17 HD22 LEU 17 15.877 0.518 -22.724 145 HD23 LEU 17 HD23 LEU 17 16.682 1.620 -21.606 146 HA PRO 18 HA PRO 18 21.194 0.049 -25.961 147 HB2 PRO 18 HB2 PRO 18 20.889 2.736 -26.199 148 HB3 PRO 18 HB3 PRO 18 19.886 1.574 -27.075 149 HG2 PRO 18 HG2 PRO 18 19.278 3.085 -24.563 150 HG3 PRO 18 HG3 PRO 18 18.235 2.778 -25.964 151 HD2 PRO 18 HD2 PRO 18 18.055 1.348 -23.671 152 HD3 PRO 18 HD3 PRO 18 17.711 0.644 -25.264 153 H ASN 19 H ASN 19 20.720 1.152 -22.782 154 HA ASN 19 HA ASN 19 23.156 2.690 -22.599 155 HB2 ASN 19 HB2 ASN 19 21.161 1.748 -20.534 156 HB3 ASN 19 HB3 ASN 19 22.605 2.669 -20.125 157 HD21 ASN 19 HD21 ASN 19 19.565 2.737 -21.856 158 HD22 ASN 19 HD22 ASN 19 19.418 4.457 -21.915 159 H GLY 20 H GLY 20 22.242 -0.601 -22.327 160 HA2 GLY 20 HA2 GLY 20 24.035 -2.245 -22.411 161 HA3 GLY 20 HA3 GLY 20 24.937 -1.230 -21.294 162 H GLN 21 H GLN 21 22.323 -0.785 -19.796 163 HA GLN 21 HA GLN 21 22.550 -3.202 -18.163 164 HB2 GLN 21 HB2 GLN 21 21.202 -0.574 -17.520 165 HB3 GLN 21 HB3 GLN 21 21.473 -1.903 -16.401 166 HG2 GLN 21 HG2 GLN 21 23.782 -0.619 -17.790 167 HG3 GLN 21 HG3 GLN 21 23.056 0.142 -16.376 168 HE21 GLN 21 HE21 GLN 21 25.649 -1.404 -17.083 169 HE22 GLN 21 HE22 GLN 21 25.845 -2.459 -15.729 170 H LEU 22 H LEU 22 20.482 -3.931 -17.077 171 HA LEU 22 HA LEU 22 18.482 -4.338 -19.147 172 HB2 LEU 22 HB2 LEU 22 18.957 -5.567 -16.446 173 HB3 LEU 22 HB3 LEU 22 17.504 -5.899 -17.388 174 HG LEU 22 HG LEU 22 20.342 -6.547 -18.182 175 HD11 LEU 22 HD11 LEU 22 19.124 -7.922 -16.383 176 HD12 LEU 22 HD12 LEU 22 19.854 -8.777 -17.743 177 HD13 LEU 22 HD13 LEU 22 18.114 -8.493 -17.713 178 HD21 LEU 22 HD21 LEU 22 19.085 -5.964 -20.148 179 HD22 LEU 22 HD22 LEU 22 17.733 -6.974 -19.634 180 HD23 LEU 22 HD23 LEU 22 19.268 -7.716 -20.087 181 H CYS 23 H CYS 23 16.190 -4.136 -18.686 182 HA CYS 23 HA CYS 23 15.412 -1.637 -17.837 183 HB2 CYS 23 HB2 CYS 23 13.727 -4.147 -17.732 184 HB3 CYS 23 HB3 CYS 23 13.126 -2.493 -17.793 185 H LYS 24 H LYS 24 13.992 -1.055 -15.994 186 HA LYS 24 HA LYS 24 15.182 -2.010 -13.520 187 HB2 LYS 24 HB2 LYS 24 13.740 0.403 -14.402 188 HB3 LYS 24 HB3 LYS 24 13.367 -0.117 -12.763 189 HG2 LYS 24 HG2 LYS 24 16.163 0.327 -13.780 190 HG3 LYS 24 HG3 LYS 24 15.209 1.554 -12.943 191 HD2 LYS 24 HD2 LYS 24 15.366 0.492 -10.924 192 HD3 LYS 24 HD3 LYS 24 15.484 -1.111 -11.654 193 HE2 LYS 24 HE2 LYS 24 17.660 0.979 -11.660 194 HE3 LYS 24 HE3 LYS 24 17.585 -0.411 -10.580 195 HZ1 LYS 24 HZ1 LYS 24 18.059 -0.364 -13.493 196 HZ2 LYS 24 HZ2 LYS 24 17.499 -1.766 -12.731 197 HZ3 LYS 24 HZ3 LYS 24 18.985 -1.095 -12.280 198 H GLU 25 H GLU 25 13.995 -2.800 -11.751 199 HA GLU 25 HA GLU 25 11.604 -4.266 -12.522 200 HB2 GLU 25 HB2 GLU 25 13.084 -4.360 -9.891 201 HB3 GLU 25 HB3 GLU 25 11.908 -5.522 -10.490 202 HG2 GLU 25 HG2 GLU 25 14.037 -5.253 -12.381 203 HG3 GLU 25 HG3 GLU 25 14.699 -5.573 -10.780 204 HA PRO 26 HA PRO 26 8.699 -1.656 -10.519 205 HB2 PRO 26 HB2 PRO 26 6.871 -3.470 -9.664 206 HB3 PRO 26 HB3 PRO 26 7.065 -3.031 -11.366 207 HG2 PRO 26 HG2 PRO 26 8.122 -5.413 -9.891 208 HG3 PRO 26 HG3 PRO 26 7.384 -5.331 -11.501 209 HD2 PRO 26 HD2 PRO 26 10.063 -5.472 -11.134 210 HD3 PRO 26 HD3 PRO 26 9.331 -4.600 -12.495 211 H GLY 27 H GLY 27 9.272 -0.656 -8.681 212 HA2 GLY 27 HA2 GLY 27 8.850 -0.495 -6.309 213 HA3 GLY 27 HA3 GLY 27 9.152 -2.223 -6.188 214 H ASP 28 H ASP 28 11.524 -2.120 -7.890 215 HA ASP 28 HA ASP 28 13.438 -1.530 -5.849 216 HB2 ASP 28 HB2 ASP 28 13.558 -2.604 -8.637 217 HB3 ASP 28 HB3 ASP 28 15.041 -2.023 -7.885 218 H SER 29 H SER 29 15.163 -0.026 -5.956 219 HA SER 29 HA SER 29 14.403 2.550 -6.832 220 HB2 SER 29 HB2 SER 29 16.550 3.285 -6.010 221 HB3 SER 29 HB3 SER 29 15.924 2.070 -4.897 222 HG SER 29 HG SER 29 18.176 2.028 -6.427 223 H CYS 30 H CYS 30 15.343 3.889 -8.425 224 HA CYS 30 HA CYS 30 16.763 2.455 -10.571 225 HB2 CYS 30 HB2 CYS 30 14.833 4.674 -11.171 226 HB3 CYS 30 HB3 CYS 30 15.418 3.396 -12.232 227 H SER 31 H SER 31 17.622 4.184 -12.221 228 HA SER 31 HA SER 31 19.023 6.225 -10.629 229 HB2 SER 31 HB2 SER 31 19.906 4.337 -12.683 230 HB3 SER 31 HB3 SER 31 20.441 5.989 -12.988 231 HG SER 31 HG SER 31 21.934 4.899 -11.679 232 H LYS 32 H LYS 32 17.165 5.626 -13.527 233 HA LYS 32 HA LYS 32 16.607 8.460 -13.765 234 HB2 LYS 32 HB2 LYS 32 17.959 6.903 -15.974 235 HB3 LYS 32 HB3 LYS 32 17.151 8.445 -16.224 236 HG2 LYS 32 HG2 LYS 32 19.482 7.994 -14.371 237 HG3 LYS 32 HG3 LYS 32 19.585 8.670 -15.999 238 HD2 LYS 32 HD2 LYS 32 18.027 9.853 -13.700 239 HD3 LYS 32 HD3 LYS 32 19.594 10.421 -14.277 240 HE2 LYS 32 HE2 LYS 32 16.982 10.425 -15.781 241 HE3 LYS 32 HE3 LYS 32 17.876 11.827 -15.191 242 HZ1 LYS 32 HZ1 LYS 32 18.497 10.056 -17.458 243 HZ2 LYS 32 HZ2 LYS 32 19.742 10.902 -16.690 244 HZ3 LYS 32 HZ3 LYS 32 18.462 11.746 -17.403 245 H ARG 33 H ARG 33 14.726 8.914 -14.953 246 HA ARG 33 HA ARG 33 12.674 7.054 -14.801 247 HB2 ARG 33 HB2 ARG 33 12.362 9.508 -14.994 248 HB3 ARG 33 HB3 ARG 33 12.835 9.413 -16.685 249 HG2 ARG 33 HG2 ARG 33 10.894 8.249 -17.282 250 HG3 ARG 33 HG3 ARG 33 10.522 7.841 -15.605 251 HD2 ARG 33 HD2 ARG 33 9.300 9.684 -15.404 252 HD3 ARG 33 HD3 ARG 33 10.690 10.676 -15.847 253 HE ARG 33 HE ARG 33 8.482 9.925 -17.535 254 HH11 ARG 33 HH11 ARG 33 11.796 10.990 -17.434 255 HH12 ARG 33 HH12 ARG 33 11.760 11.672 -19.026 256 HH21 ARG 33 HH21 ARG 33 8.425 10.818 -19.632 257 HH22 ARG 33 HH22 ARG 33 9.843 11.575 -20.275 258 H ASP 34 H ASP 34 14.990 7.625 -17.340 259 HA ASP 34 HA ASP 34 13.637 6.264 -19.420 260 HB2 ASP 34 HB2 ASP 34 15.526 7.822 -19.797 261 HB3 ASP 34 HB3 ASP 34 16.615 6.655 -19.050 262 H GLU 35 H GLU 35 15.420 5.188 -16.674 263 HA GLU 35 HA GLU 35 16.236 2.653 -17.604 264 HB2 GLU 35 HB2 GLU 35 15.584 3.580 -14.801 265 HB3 GLU 35 HB3 GLU 35 16.379 2.063 -15.194 266 HG2 GLU 35 HG2 GLU 35 18.043 3.674 -16.460 267 HG3 GLU 35 HG3 GLU 35 17.424 4.836 -15.288 268 H CYS 36 H CYS 36 13.211 3.849 -16.318 269 HA CYS 36 HA CYS 36 12.024 1.311 -15.836 270 HB2 CYS 36 HB2 CYS 36 11.344 3.723 -15.022 271 HB3 CYS 36 HB3 CYS 36 10.381 3.724 -16.497 272 H CYS 37 H CYS 37 11.457 -0.134 -17.308 273 HA CYS 37 HA CYS 37 11.276 0.544 -20.095 274 HB2 CYS 37 HB2 CYS 37 11.347 -1.912 -18.477 275 HB3 CYS 37 HB3 CYS 37 10.352 -2.026 -19.925 276 H LYS 38 H LYS 38 9.328 -0.713 -21.263 277 HA LYS 38 HA LYS 38 6.886 0.453 -20.113 278 HB2 LYS 38 HB2 LYS 38 7.259 -0.405 -22.977 279 HB3 LYS 38 HB3 LYS 38 6.031 0.666 -22.318 280 HG2 LYS 38 HG2 LYS 38 7.720 2.358 -21.871 281 HG3 LYS 38 HG3 LYS 38 8.976 1.278 -22.481 282 HD2 LYS 38 HD2 LYS 38 6.621 2.171 -24.133 283 HD3 LYS 38 HD3 LYS 38 8.160 3.035 -24.099 284 HE2 LYS 38 HE2 LYS 38 7.901 0.116 -24.799 285 HE3 LYS 38 HE3 LYS 38 7.878 1.411 -25.996 286 HZ1 LYS 38 HZ1 LYS 38 10.077 1.326 -26.004 287 HZ2 LYS 38 HZ2 LYS 38 10.098 0.195 -24.746 288 HZ3 LYS 38 HZ3 LYS 38 10.095 1.849 -24.395 289 H ALA 39 H ALA 39 5.049 -0.753 -19.851 290 HA ALA 39 HA ALA 39 5.361 -3.561 -19.533 291 HB1 ALA 39 HB1 ALA 39 3.869 -2.119 -18.149 292 HB2 ALA 39 HB2 ALA 39 2.779 -2.008 -19.532 293 HB3 ALA 39 HB3 ALA 39 3.093 -3.573 -18.780 294 H ASP 40 H ASP 40 3.803 -5.148 -20.494 295 HA ASP 40 HA ASP 40 4.130 -5.377 -23.225 296 HB2 ASP 40 HB2 ASP 40 2.178 -6.611 -21.305 297 HB3 ASP 40 HB3 ASP 40 2.069 -6.957 -23.029 298 H ASP 41 H ASP 41 1.379 -4.038 -21.445 299 HA ASP 41 HA ASP 41 0.251 -3.106 -23.998 300 HB2 ASP 41 HB2 ASP 41 -1.041 -4.566 -22.171 301 HB3 ASP 41 HB3 ASP 41 -1.341 -2.971 -21.486 302 H GLN 42 H GLN 42 2.324 -1.622 -23.275 303 HA GLN 42 HA GLN 42 2.042 0.417 -21.439 304 HB2 GLN 42 HB2 GLN 42 3.526 1.748 -22.970 305 HB3 GLN 42 HB3 GLN 42 4.124 0.143 -22.571 306 HG2 GLN 42 HG2 GLN 42 3.847 -0.646 -24.688 307 HG3 GLN 42 HG3 GLN 42 2.515 0.452 -25.043 308 HE21 GLN 42 HE21 GLN 42 3.394 2.876 -24.711 309 HE22 GLN 42 HE22 GLN 42 4.785 3.219 -25.676 310 H LYS 43 H LYS 43 0.514 0.034 -24.547 311 HA LYS 43 HA LYS 43 -0.303 2.636 -25.071 312 HB2 LYS 43 HB2 LYS 43 -1.837 0.087 -25.611 313 HB3 LYS 43 HB3 LYS 43 -2.111 1.637 -26.396 314 HG2 LYS 43 HG2 LYS 43 0.369 -0.059 -26.600 315 HG3 LYS 43 HG3 LYS 43 -0.858 0.174 -27.849 316 HD2 LYS 43 HD2 LYS 43 -0.288 2.696 -27.561 317 HD3 LYS 43 HD3 LYS 43 1.199 2.094 -26.828 318 HE2 LYS 43 HE2 LYS 43 1.829 2.295 -29.031 319 HE3 LYS 43 HE3 LYS 43 1.317 0.610 -28.971 320 HZ1 LYS 43 HZ1 LYS 43 -0.947 2.076 -29.559 321 HZ2 LYS 43 HZ2 LYS 43 -0.074 1.080 -30.613 322 HZ3 LYS 43 HZ3 LYS 43 0.273 2.734 -30.528 323 H THR 44 H THR 44 -1.514 0.321 -22.767 324 HA THR 44 HA THR 44 -3.667 2.186 -22.022 325 HB THR 44 HB THR 44 -4.480 0.116 -20.674 326 HG1 THR 44 HG1 THR 44 -3.846 -1.846 -21.876 327 HG21 THR 44 HG21 THR 44 -4.653 -0.097 -23.672 328 HG22 THR 44 HG22 THR 44 -5.500 1.152 -22.760 329 HG23 THR 44 HG23 THR 44 -5.863 -0.549 -22.473 330 H TYR 45 H TYR 45 -0.945 0.319 -20.813 331 HA TYR 45 HA TYR 45 -1.297 1.482 -18.145 332 HB2 TYR 45 HB2 TYR 45 0.775 -0.560 -18.936 333 HB3 TYR 45 HB3 TYR 45 0.161 -0.197 -17.325 334 HD1 TYR 45 HD1 TYR 45 -2.784 -0.160 -17.984 335 HD2 TYR 45 HD2 TYR 45 0.313 -2.869 -19.068 336 HE1 TYR 45 HE1 TYR 45 -4.445 -1.960 -18.207 337 HE2 TYR 45 HE2 TYR 45 -1.340 -4.677 -19.295 338 HH TYR 45 HH TYR 45 -3.729 -5.128 -18.252 339 H SER 46 H SER 46 0.125 2.893 -17.259 340 HA SER 46 HA SER 46 2.181 3.970 -19.053 341 HB2 SER 46 HB2 SER 46 1.747 6.027 -18.198 342 HB3 SER 46 HB3 SER 46 0.235 5.284 -17.675 343 HG SER 46 HG SER 46 0.922 5.933 -15.783 344 H SER 47 H SER 47 4.261 3.614 -18.666 345 HA SER 47 HA SER 47 5.030 2.553 -16.032 346 HB2 SER 47 HB2 SER 47 6.882 1.458 -17.118 347 HB3 SER 47 HB3 SER 47 5.423 1.096 -18.039 348 HG SER 47 HG SER 47 7.435 2.993 -18.666 349 H GLY 48 H GLY 48 6.759 3.409 -14.913 350 HA2 GLY 48 HA2 GLY 48 8.618 5.258 -15.895 351 HA3 GLY 48 HA3 GLY 48 7.266 6.163 -15.231 352 H CYS 49 H CYS 49 9.935 6.240 -14.257 353 HA CYS 49 HA CYS 49 9.553 5.038 -11.592 354 HB2 CYS 49 HB2 CYS 49 11.464 4.137 -13.088 355 HB3 CYS 49 HB3 CYS 49 12.261 5.668 -12.738 356 H ALA 50 H ALA 50 8.906 6.644 -10.304 357 HA ALA 50 HA ALA 50 10.468 9.141 -10.335 358 HB1 ALA 50 HB1 ALA 50 8.322 10.272 -9.592 359 HB2 ALA 50 HB2 ALA 50 8.404 9.764 -11.278 360 HB3 ALA 50 HB3 ALA 50 7.491 8.806 -10.113 361 H GLN 51 H GLN 51 10.594 10.257 -8.294 362 HA GLN 51 HA GLN 51 11.200 8.595 -6.134 363 HB2 GLN 51 HB2 GLN 51 10.504 11.532 -6.010 364 HB3 GLN 51 HB3 GLN 51 11.439 10.626 -4.828 365 HG2 GLN 51 HG2 GLN 51 13.234 10.327 -6.376 366 HG3 GLN 51 HG3 GLN 51 12.280 11.022 -7.687 367 HE21 GLN 51 HE21 GLN 51 13.589 12.714 -8.162 368 HE22 GLN 51 HE22 GLN 51 13.909 14.019 -7.077 369 H THR 52 H THR 52 10.127 7.999 -4.297 370 HA THR 52 HA THR 52 7.434 8.979 -3.805 371 HB THR 52 HB THR 52 6.479 6.695 -3.664 372 HG1 THR 52 HG1 THR 52 8.289 5.415 -3.458 373 HG21 THR 52 HG21 THR 52 6.103 8.021 -5.674 374 HG22 THR 52 HG22 THR 52 6.279 6.316 -6.089 375 HG23 THR 52 HG23 THR 52 7.614 7.434 -6.365 376 H TRP 53 H TRP 53 7.092 9.191 -1.689 377 HA TRP 53 HA TRP 53 9.017 8.765 0.240 378 HB2 TRP 53 HB2 TRP 53 7.178 10.250 0.676 379 HB3 TRP 53 HB3 TRP 53 6.013 8.938 0.522 380 HD1 TRP 53 HD1 TRP 53 5.574 7.439 2.635 381 HE1 TRP 53 HE1 TRP 53 6.315 7.589 5.094 382 HE3 TRP 53 HE3 TRP 53 9.221 10.992 2.168 383 HZ2 TRP 53 HZ2 TRP 53 8.198 9.024 6.635 384 HZ3 TRP 53 HZ3 TRP 53 10.444 11.697 4.183 385 HH2 TRP 53 HH2 TRP 53 9.942 10.733 6.369 386 H SER 54 H SER 54 9.930 6.901 0.790 387 HA SER 54 HA SER 54 8.263 4.482 0.910 388 HB2 SER 54 HB2 SER 54 10.173 4.270 -0.576 389 HB3 SER 54 HB3 SER 54 11.268 4.796 0.702 390 HG SER 54 HG SER 54 10.195 2.331 0.228 391 H ALA 55 H ALA 55 7.648 3.803 2.842 392 HA ALA 55 HA ALA 55 8.696 4.931 5.252 393 HB1 ALA 55 HB1 ALA 55 6.939 2.506 5.177 394 HB2 ALA 55 HB2 ALA 55 6.990 3.811 6.363 395 HB3 ALA 55 HB3 ALA 55 6.301 4.097 4.765 396 H MET 56 H MET 56 8.898 1.748 3.698 397 HA MET 56 HA MET 56 10.343 0.454 5.730 398 HB2 MET 56 HB2 MET 56 10.123 -0.032 2.765 399 HB3 MET 56 HB3 MET 56 11.091 -1.063 3.810 400 HG2 MET 56 HG2 MET 56 8.240 -0.537 4.498 401 HG3 MET 56 HG3 MET 56 8.636 -1.697 3.232 402 HE1 MET 56 HE1 MET 56 7.199 -3.216 4.601 403 HE2 MET 56 HE2 MET 56 8.491 -4.328 4.154 404 HE3 MET 56 HE3 MET 56 7.876 -4.309 5.808 405 H GLU 57 H GLU 57 11.453 2.137 2.802 406 HA GLU 57 HA GLU 57 14.223 1.739 3.397 407 HB2 GLU 57 HB2 GLU 57 13.019 3.770 1.515 408 HB3 GLU 57 HB3 GLU 57 14.661 3.140 1.491 409 HG2 GLU 57 HG2 GLU 57 12.230 1.428 1.055 410 HG3 GLU 57 HG3 GLU 57 13.114 2.216 -0.250 411 H GLY 58 H GLY 58 11.865 4.253 4.019 412 HA2 GLY 58 HA2 GLY 58 11.946 5.989 5.537 413 HA3 GLY 58 HA3 GLY 58 13.522 5.408 6.049 414 H GLY 59 H GLY 59 12.685 6.275 2.744 415 HA2 GLY 59 HA2 GLY 59 13.693 8.927 2.842 416 HA3 GLY 59 HA3 GLY 59 14.947 7.822 2.297 417 H PHE 60 H PHE 60 13.431 10.023 0.933 418 HA PHE 60 HA PHE 60 11.623 9.025 -0.935 419 HB2 PHE 60 HB2 PHE 60 13.502 11.367 -0.941 420 HB3 PHE 60 HB3 PHE 60 12.543 10.993 -2.370 421 HD1 PHE 60 HD1 PHE 60 12.608 12.675 0.741 422 HD2 PHE 60 HD2 PHE 60 9.997 10.757 -2.020 423 HE1 PHE 60 HE1 PHE 60 10.699 13.885 1.712 424 HE2 PHE 60 HE2 PHE 60 8.083 11.965 -1.053 425 HZ PHE 60 HZ PHE 60 8.432 13.530 0.816 426 H VAL 61 H VAL 61 11.860 7.562 -2.478 427 HA VAL 61 HA VAL 61 14.386 7.426 -3.957 428 HB VAL 61 HB VAL 61 14.188 4.896 -3.923 429 HG11 VAL 61 HG11 VAL 61 15.401 6.697 -2.125 430 HG12 VAL 61 HG12 VAL 61 14.806 5.337 -1.169 431 HG13 VAL 61 HG13 VAL 61 15.903 5.053 -2.523 432 HG21 VAL 61 HG21 VAL 61 12.834 4.995 -1.318 433 HG22 VAL 61 HG22 VAL 61 11.802 5.339 -2.707 434 HG23 VAL 61 HG23 VAL 61 12.695 3.821 -2.628 435 H ARG 62 H ARG 62 14.206 6.687 -6.077 436 HA ARG 62 HA ARG 62 11.533 6.896 -7.192 437 HB2 ARG 62 HB2 ARG 62 14.166 6.523 -8.629 438 HB3 ARG 62 HB3 ARG 62 12.635 7.008 -9.347 439 HG2 ARG 62 HG2 ARG 62 12.711 9.129 -8.357 440 HG3 ARG 62 HG3 ARG 62 13.963 8.641 -7.212 441 HD2 ARG 62 HD2 ARG 62 15.428 8.246 -9.275 442 HD3 ARG 62 HD3 ARG 62 14.215 9.173 -10.155 443 HE ARG 62 HE ARG 62 15.019 11.081 -9.185 444 HH11 ARG 62 HH11 ARG 62 16.202 8.321 -7.425 445 HH12 ARG 62 HH12 ARG 62 17.279 9.250 -6.434 446 HH21 ARG 62 HH21 ARG 62 16.433 12.315 -7.888 447 HH22 ARG 62 HH22 ARG 62 17.409 11.521 -6.698 448 H GLU 63 H GLU 63 10.318 5.127 -7.270 449 HA GLU 63 HA GLU 63 11.618 2.564 -7.919 450 HB2 GLU 63 HB2 GLU 63 9.733 1.474 -6.739 451 HB3 GLU 63 HB3 GLU 63 10.689 2.507 -5.687 452 HG2 GLU 63 HG2 GLU 63 8.987 4.289 -5.980 453 HG3 GLU 63 HG3 GLU 63 8.005 3.140 -6.886 454 H CYS 64 H CYS 64 10.907 1.430 -9.634 455 HA CYS 64 HA CYS 64 9.332 2.678 -11.602 456 HB2 CYS 64 HB2 CYS 64 11.093 0.819 -11.870 457 HB3 CYS 64 HB3 CYS 64 9.792 -0.296 -11.466 458 H TYR 65 H TYR 65 7.215 2.547 -12.134 459 HA TYR 65 HA TYR 65 5.503 0.697 -10.631 460 HB2 TYR 65 HB2 TYR 65 3.840 2.520 -10.318 461 HB3 TYR 65 HB3 TYR 65 5.340 2.796 -9.440 462 HD1 TYR 65 HD1 TYR 65 3.435 3.771 -12.464 463 HD2 TYR 65 HD2 TYR 65 6.643 4.726 -9.836 464 HE1 TYR 65 HE1 TYR 65 3.647 5.977 -13.533 465 HE2 TYR 65 HE2 TYR 65 6.861 6.934 -10.896 466 HH TYR 65 HH TYR 65 5.328 7.726 -13.828 467 H ILE 66 H ILE 66 3.585 0.094 -11.672 468 HA ILE 66 HA ILE 66 3.217 1.045 -14.424 469 HB ILE 66 HB ILE 66 3.324 -1.866 -13.624 470 HG12 ILE 66 HG12 ILE 66 5.052 -0.377 -15.606 471 HG13 ILE 66 HG13 ILE 66 5.517 -0.641 -13.929 472 HG21 ILE 66 HG21 ILE 66 3.101 -2.097 -16.199 473 HG22 ILE 66 HG22 ILE 66 1.658 -1.824 -15.223 474 HG23 ILE 66 HG23 ILE 66 2.394 -0.484 -16.104 475 HD11 ILE 66 HD11 ILE 66 6.552 -2.270 -15.395 476 HD12 ILE 66 HD12 ILE 66 5.424 -3.054 -14.289 477 HD13 ILE 66 HD13 ILE 66 4.966 -2.782 -15.970 478 H CYS 67 H CYS 67 1.247 1.907 -14.394 479 HA CYS 67 HA CYS 67 -0.972 0.272 -13.410 480 HB2 CYS 67 HB2 CYS 67 -0.131 2.909 -12.367 481 HB3 CYS 67 HB3 CYS 67 -1.856 2.725 -12.675 482 H ALA 68 H ALA 68 -3.072 0.972 -14.240 483 HA ALA 68 HA ALA 68 -2.937 1.583 -17.014 484 HB1 ALA 68 HB1 ALA 68 -4.891 0.539 -16.969 485 HB2 ALA 68 HB2 ALA 68 -4.870 0.552 -15.205 486 HB3 ALA 68 HB3 ALA 68 -5.598 1.895 -16.087 487 H VAL 69 H VAL 69 -3.675 3.395 -18.130 488 HA VAL 69 HA VAL 69 -3.320 5.893 -16.748 489 HB VAL 69 HB VAL 69 -4.222 5.506 -19.602 490 HG11 VAL 69 HG11 VAL 69 -3.145 7.790 -18.007 491 HG12 VAL 69 HG12 VAL 69 -2.840 7.713 -19.744 492 HG13 VAL 69 HG13 VAL 69 -4.497 7.750 -19.139 493 HG21 VAL 69 HG21 VAL 69 -1.523 6.090 -19.654 494 HG22 VAL 69 HG22 VAL 69 -1.668 4.909 -18.352 495 HG23 VAL 69 HG23 VAL 69 -2.256 4.516 -19.968 496 H GLU 70 H GLU 70 -6.008 4.287 -18.430 497 HA GLU 70 HA GLU 70 -7.867 6.369 -17.719 498 HB2 GLU 70 HB2 GLU 70 -9.555 4.875 -18.761 499 HB3 GLU 70 HB3 GLU 70 -8.192 5.221 -19.816 500 HG2 GLU 70 HG2 GLU 70 -7.230 3.058 -19.355 501 HG3 GLU 70 HG3 GLU 70 -8.504 2.711 -18.188 502 H SER 71 H SER 71 -7.021 3.164 -16.568 503 HA SER 71 HA SER 71 -9.216 3.053 -14.697 504 HB2 SER 71 HB2 SER 71 -7.894 1.089 -15.889 505 HB3 SER 71 HB3 SER 71 -6.853 1.238 -14.473 506 HG SER 71 HG SER 71 -9.137 -0.037 -14.637 507 H SER 72 H SER 72 -9.234 3.961 -12.759 508 HA SER 72 HA SER 72 -6.810 5.134 -11.688 509 HB2 SER 72 HB2 SER 72 -9.726 5.364 -11.123 510 HB3 SER 72 HB3 SER 72 -8.610 5.739 -9.811 511 HG SER 72 HG SER 72 -8.632 6.910 -12.398 512 H MET 73 H MET 73 -9.052 2.536 -10.916 513 HA MET 73 HA MET 73 -7.553 1.881 -8.496 514 HB2 MET 73 HB2 MET 73 -10.126 0.800 -9.647 515 HB3 MET 73 HB3 MET 73 -9.356 0.140 -8.210 516 HG2 MET 73 HG2 MET 73 -10.817 1.559 -7.222 517 HG3 MET 73 HG3 MET 73 -9.456 2.660 -7.433 518 HE1 MET 73 HE1 MET 73 -13.381 2.125 -8.989 519 HE2 MET 73 HE2 MET 73 -12.757 2.227 -7.343 520 HE3 MET 73 HE3 MET 73 -13.435 3.657 -8.120 521 H CYS 74 H CYS 74 -6.037 1.552 -10.749 522 HA CYS 74 HA CYS 74 -6.091 -0.874 -12.065 523 HB2 CYS 74 HB2 CYS 74 -3.745 -0.557 -12.516 524 HB3 CYS 74 HB3 CYS 74 -4.533 1.018 -12.547 Start of MODEL 18 1 H1 SER 1 H SER 1 3.486 0.835 0.643 2 HA SER 1 HA SER 1 1.784 0.998 -1.687 3 HB2 SER 1 HB2 SER 1 4.730 1.176 -1.185 4 HB3 SER 1 HB3 SER 1 4.158 0.853 -2.820 5 HG SER 1 HG SER 1 2.730 2.770 -2.371 6 H ASN 2 H ASN 2 0.750 -0.905 -2.046 7 HA ASN 2 HA ASN 2 1.983 -3.454 -1.758 8 HB2 ASN 2 HB2 ASN 2 -0.546 -2.658 -3.218 9 HB3 ASN 2 HB3 ASN 2 -0.064 -4.313 -2.858 10 HD21 ASN 2 HD21 ASN 2 -2.474 -3.285 -2.022 11 HD22 ASN 2 HD22 ASN 2 -2.468 -3.144 -0.300 12 H ARG 3 H ARG 3 2.049 -5.042 -3.610 13 HA ARG 3 HA ARG 3 3.853 -4.119 -5.572 14 HB2 ARG 3 HB2 ARG 3 2.277 -6.685 -5.354 15 HB3 ARG 3 HB3 ARG 3 3.489 -6.395 -6.594 16 HG2 ARG 3 HG2 ARG 3 5.228 -6.259 -4.979 17 HG3 ARG 3 HG3 ARG 3 4.068 -6.247 -3.649 18 HD2 ARG 3 HD2 ARG 3 4.388 -8.534 -5.583 19 HD3 ARG 3 HD3 ARG 3 5.216 -8.441 -4.029 20 HE ARG 3 HE ARG 3 2.511 -8.093 -3.527 21 HH11 ARG 3 HH11 ARG 3 4.609 -10.561 -4.804 22 HH12 ARG 3 HH12 ARG 3 3.609 -11.870 -4.267 23 HH21 ARG 3 HH21 ARG 3 1.187 -9.808 -2.816 24 HH22 ARG 3 HH22 ARG 3 1.662 -11.441 -3.137 25 H TRP 4 H TRP 4 0.388 -4.751 -5.626 26 HA TRP 4 HA TRP 4 -0.119 -4.666 -8.339 27 HB2 TRP 4 HB2 TRP 4 -1.864 -3.402 -6.219 28 HB3 TRP 4 HB3 TRP 4 -2.377 -4.025 -7.783 29 HD1 TRP 4 HD1 TRP 4 -2.516 -4.976 -4.326 30 HE1 TRP 4 HE1 TRP 4 -2.746 -7.522 -4.027 31 HE3 TRP 4 HE3 TRP 4 -1.192 -6.469 -9.032 32 HZ2 TRP 4 HZ2 TRP 4 -2.411 -9.855 -5.580 33 HZ3 TRP 4 HZ3 TRP 4 -1.171 -8.877 -9.543 34 HH2 TRP 4 HH2 TRP 4 -1.767 -10.533 -7.851 35 H ASN 5 H ASN 5 0.388 -1.991 -6.097 36 HA ASN 5 HA ASN 5 -0.365 0.129 -7.732 37 HB2 ASN 5 HB2 ASN 5 1.745 -0.049 -5.577 38 HB3 ASN 5 HB3 ASN 5 1.291 1.465 -6.354 39 HD21 ASN 5 HD21 ASN 5 1.044 1.190 -3.666 40 HD22 ASN 5 HD22 ASN 5 -0.627 1.127 -3.227 41 H LEU 6 H LEU 6 2.624 -1.713 -7.627 42 HA LEU 6 HA LEU 6 3.870 0.008 -9.618 43 HB2 LEU 6 HB2 LEU 6 4.888 -2.497 -8.282 44 HB3 LEU 6 HB3 LEU 6 5.824 -1.440 -9.337 45 HG LEU 6 HG LEU 6 6.528 -0.860 -7.198 46 HD11 LEU 6 HD11 LEU 6 5.479 1.022 -8.703 47 HD12 LEU 6 HD12 LEU 6 6.053 1.373 -7.072 48 HD13 LEU 6 HD13 LEU 6 4.330 1.138 -7.369 49 HD21 LEU 6 HD21 LEU 6 3.887 -0.375 -5.991 50 HD22 LEU 6 HD22 LEU 6 5.348 -1.068 -5.289 51 HD23 LEU 6 HD23 LEU 6 4.292 -2.065 -6.292 52 H GLY 7 H GLY 7 1.522 -2.045 -9.940 53 HA2 GLY 7 HA2 GLY 7 0.774 -3.486 -11.565 54 HA3 GLY 7 HA3 GLY 7 1.835 -2.577 -12.631 55 H TYR 8 H TYR 8 2.980 -4.444 -9.898 56 HA TYR 8 HA TYR 8 4.933 -5.796 -11.373 57 HB2 TYR 8 HB2 TYR 8 5.163 -5.560 -8.987 58 HB3 TYR 8 HB3 TYR 8 3.678 -6.463 -8.706 59 HD1 TYR 8 HD1 TYR 8 6.624 -7.167 -10.891 60 HD2 TYR 8 HD2 TYR 8 4.239 -8.415 -7.597 61 HE1 TYR 8 HE1 TYR 8 7.925 -9.250 -10.745 62 HE2 TYR 8 HE2 TYR 8 5.533 -10.500 -7.441 63 HH TYR 8 HH TYR 8 7.293 -11.747 -9.724 64 H GLY 9 H GLY 9 1.734 -6.880 -10.269 65 HA2 GLY 9 HA2 GLY 9 1.825 -9.516 -11.117 66 HA3 GLY 9 HA3 GLY 9 0.360 -8.547 -11.050 67 H ILE 10 H ILE 10 0.942 -6.640 -12.995 68 HA ILE 10 HA ILE 10 0.063 -7.840 -15.318 69 HB ILE 10 HB ILE 10 1.737 -5.332 -15.140 70 HG12 ILE 10 HG12 ILE 10 -1.264 -5.711 -15.025 71 HG13 ILE 10 HG13 ILE 10 -0.233 -5.240 -13.678 72 HG21 ILE 10 HG21 ILE 10 1.527 -6.275 -17.412 73 HG22 ILE 10 HG22 ILE 10 -0.227 -6.193 -17.258 74 HG23 ILE 10 HG23 ILE 10 0.729 -4.711 -17.245 75 HD11 ILE 10 HD11 ILE 10 -0.629 -3.639 -16.194 76 HD12 ILE 10 HD12 ILE 10 -1.440 -3.346 -14.654 77 HD13 ILE 10 HD13 ILE 10 0.310 -3.162 -14.779 78 HA PRO 11 HA PRO 11 3.619 -9.984 -16.844 79 HB2 PRO 11 HB2 PRO 11 2.686 -10.467 -19.346 80 HB3 PRO 11 HB3 PRO 11 2.125 -11.355 -17.924 81 HG2 PRO 11 HG2 PRO 11 0.845 -9.055 -19.348 82 HG3 PRO 11 HG3 PRO 11 0.099 -10.533 -18.715 83 HD2 PRO 11 HD2 PRO 11 -0.012 -8.168 -17.402 84 HD3 PRO 11 HD3 PRO 11 0.037 -9.728 -16.556 85 H HIS 12 H HIS 12 5.458 -9.012 -17.396 86 HA HIS 12 HA HIS 12 5.385 -6.962 -19.512 87 HB2 HIS 12 HB2 HIS 12 7.484 -7.094 -17.357 88 HB3 HIS 12 HB3 HIS 12 7.092 -5.745 -18.418 89 HD1 HIS 12 HD1 HIS 12 6.874 -6.444 -15.059 90 HD2 HIS 12 HD2 HIS 12 4.039 -5.182 -17.821 91 HE1 HIS 12 HE1 HIS 12 5.045 -5.375 -13.704 92 H LYS 13 H LYS 13 7.392 -6.758 -20.773 93 HA LYS 13 HA LYS 13 8.716 -9.371 -21.098 94 HB2 LYS 13 HB2 LYS 13 7.153 -8.435 -22.952 95 HB3 LYS 13 HB3 LYS 13 8.488 -7.347 -23.305 96 HG2 LYS 13 HG2 LYS 13 8.982 -9.030 -24.745 97 HG3 LYS 13 HG3 LYS 13 9.859 -9.603 -23.325 98 HD2 LYS 13 HD2 LYS 13 8.131 -11.137 -22.775 99 HD3 LYS 13 HD3 LYS 13 7.027 -10.418 -23.949 100 HE2 LYS 13 HE2 LYS 13 8.120 -11.369 -25.752 101 HE3 LYS 13 HE3 LYS 13 9.630 -11.566 -24.862 102 HZ1 LYS 13 HZ1 LYS 13 8.271 -13.640 -25.328 103 HZ2 LYS 13 HZ2 LYS 13 7.199 -13.086 -24.143 104 HZ3 LYS 13 HZ3 LYS 13 8.807 -13.420 -23.739 105 H GLN 14 H GLN 14 10.714 -9.283 -20.310 106 HA GLN 14 HA GLN 14 12.174 -6.935 -19.835 107 HB2 GLN 14 HB2 GLN 14 12.453 -9.616 -19.205 108 HB3 GLN 14 HB3 GLN 14 13.838 -9.297 -20.242 109 HG2 GLN 14 HG2 GLN 14 14.114 -7.204 -18.685 110 HG3 GLN 14 HG3 GLN 14 13.173 -8.189 -17.565 111 HE21 GLN 14 HE21 GLN 14 15.805 -7.372 -17.097 112 HE22 GLN 14 HE22 GLN 14 16.816 -8.772 -17.066 113 H VAL 15 H VAL 15 13.759 -5.879 -20.953 114 HA VAL 15 HA VAL 15 14.717 -6.923 -23.485 115 HB VAL 15 HB VAL 15 14.124 -4.798 -24.689 116 HG11 VAL 15 HG11 VAL 15 12.832 -7.084 -24.655 117 HG12 VAL 15 HG12 VAL 15 11.576 -6.116 -23.883 118 HG13 VAL 15 HG13 VAL 15 12.164 -5.682 -25.489 119 HG21 VAL 15 HG21 VAL 15 12.609 -3.265 -23.838 120 HG22 VAL 15 HG22 VAL 15 11.993 -4.389 -22.627 121 HG23 VAL 15 HG23 VAL 15 13.583 -3.657 -22.421 122 H LYS 16 H LYS 16 16.560 -5.832 -24.283 123 HA LYS 16 HA LYS 16 18.153 -4.616 -22.222 124 HB2 LYS 16 HB2 LYS 16 18.748 -5.114 -25.145 125 HB3 LYS 16 HB3 LYS 16 19.923 -4.571 -23.954 126 HG2 LYS 16 HG2 LYS 16 20.400 -6.716 -23.638 127 HG3 LYS 16 HG3 LYS 16 18.848 -6.837 -22.806 128 HD2 LYS 16 HD2 LYS 16 17.819 -7.297 -25.071 129 HD3 LYS 16 HD3 LYS 16 19.465 -7.463 -25.687 130 HE2 LYS 16 HE2 LYS 16 18.971 -9.000 -23.256 131 HE3 LYS 16 HE3 LYS 16 17.937 -9.475 -24.603 132 HZ1 LYS 16 HZ1 LYS 16 20.501 -9.165 -25.619 133 HZ2 LYS 16 HZ2 LYS 16 19.640 -10.606 -25.413 134 HZ3 LYS 16 HZ3 LYS 16 20.665 -10.050 -24.186 135 H LEU 17 H LEU 17 18.648 -2.517 -21.944 136 HA LEU 17 HA LEU 17 17.216 -0.569 -23.557 137 HB2 LEU 17 HB2 LEU 17 18.813 -0.373 -21.018 138 HB3 LEU 17 HB3 LEU 17 18.172 1.041 -21.851 139 HG LEU 17 HG LEU 17 16.277 -1.131 -21.112 140 HD11 LEU 17 HD11 LEU 17 17.505 0.808 -19.164 141 HD12 LEU 17 HD12 LEU 17 17.495 -0.953 -19.070 142 HD13 LEU 17 HD13 LEU 17 15.991 -0.052 -18.879 143 HD21 LEU 17 HD21 LEU 17 14.787 0.783 -20.782 144 HD22 LEU 17 HD22 LEU 17 15.510 0.795 -22.390 145 HD23 LEU 17 HD23 LEU 17 16.120 1.882 -21.140 146 HA PRO 18 HA PRO 18 20.600 0.821 -25.981 147 HB2 PRO 18 HB2 PRO 18 20.125 3.491 -26.113 148 HB3 PRO 18 HB3 PRO 18 19.144 2.297 -26.970 149 HG2 PRO 18 HG2 PRO 18 18.591 3.693 -24.381 150 HG3 PRO 18 HG3 PRO 18 17.490 3.366 -25.731 151 HD2 PRO 18 HD2 PRO 18 17.523 1.861 -23.481 152 HD3 PRO 18 HD3 PRO 18 17.133 1.186 -25.074 153 H ASN 19 H ASN 19 20.219 1.857 -22.751 154 HA ASN 19 HA ASN 19 22.560 3.527 -22.643 155 HB2 ASN 19 HB2 ASN 19 20.923 2.303 -20.410 156 HB3 ASN 19 HB3 ASN 19 22.161 3.541 -20.211 157 HD21 ASN 19 HD21 ASN 19 19.014 2.844 -21.584 158 HD22 ASN 19 HD22 ASN 19 18.472 4.483 -21.654 159 H GLY 20 H GLY 20 21.912 0.167 -22.477 160 HA2 GLY 20 HA2 GLY 20 23.819 -1.324 -22.741 161 HA3 GLY 20 HA3 GLY 20 24.697 -0.298 -21.616 162 H GLN 21 H GLN 21 22.176 -0.119 -19.946 163 HA GLN 21 HA GLN 21 22.656 -2.595 -18.470 164 HB2 GLN 21 HB2 GLN 21 21.048 -0.222 -17.539 165 HB3 GLN 21 HB3 GLN 21 21.761 -1.494 -16.559 166 HG2 GLN 21 HG2 GLN 21 23.989 -0.557 -17.656 167 HG3 GLN 21 HG3 GLN 21 23.008 0.905 -17.757 168 HE21 GLN 21 HE21 GLN 21 25.303 -0.355 -15.994 169 HE22 GLN 21 HE22 GLN 21 24.865 0.177 -14.411 170 H LEU 22 H LEU 22 20.711 -3.533 -17.320 171 HA LEU 22 HA LEU 22 18.621 -3.959 -19.299 172 HB2 LEU 22 HB2 LEU 22 19.354 -5.338 -16.731 173 HB3 LEU 22 HB3 LEU 22 17.883 -5.720 -17.621 174 HG LEU 22 HG LEU 22 20.714 -6.067 -18.607 175 HD11 LEU 22 HD11 LEU 22 20.424 -8.363 -18.323 176 HD12 LEU 22 HD12 LEU 22 18.675 -8.218 -18.149 177 HD13 LEU 22 HD13 LEU 22 19.739 -7.666 -16.855 178 HD21 LEU 22 HD21 LEU 22 19.637 -7.181 -20.537 179 HD22 LEU 22 HD22 LEU 22 19.286 -5.454 -20.450 180 HD23 LEU 22 HD23 LEU 22 18.070 -6.628 -19.946 181 H CYS 23 H CYS 23 16.356 -3.969 -18.685 182 HA CYS 23 HA CYS 23 15.465 -1.606 -17.582 183 HB2 CYS 23 HB2 CYS 23 14.024 -4.260 -17.736 184 HB3 CYS 23 HB3 CYS 23 13.244 -2.719 -17.399 185 H LYS 24 H LYS 24 13.977 -1.420 -15.635 186 HA LYS 24 HA LYS 24 15.322 -2.649 -13.328 187 HB2 LYS 24 HB2 LYS 24 14.152 0.014 -13.847 188 HB3 LYS 24 HB3 LYS 24 13.860 -0.643 -12.242 189 HG2 LYS 24 HG2 LYS 24 16.574 -0.333 -13.510 190 HG3 LYS 24 HG3 LYS 24 15.858 0.789 -12.352 191 HD2 LYS 24 HD2 LYS 24 16.252 -0.571 -10.594 192 HD3 LYS 24 HD3 LYS 24 15.890 -2.034 -11.515 193 HE2 LYS 24 HE2 LYS 24 18.435 -0.425 -11.704 194 HE3 LYS 24 HE3 LYS 24 18.243 -1.933 -10.811 195 HZ1 LYS 24 HZ1 LYS 24 17.340 -2.537 -13.302 196 HZ2 LYS 24 HZ2 LYS 24 18.871 -2.915 -12.690 197 HZ3 LYS 24 HZ3 LYS 24 18.653 -1.517 -13.616 198 H GLU 25 H GLU 25 14.005 -3.209 -11.463 199 HA GLU 25 HA GLU 25 11.515 -4.463 -12.298 200 HB2 GLU 25 HB2 GLU 25 12.860 -4.651 -9.603 201 HB3 GLU 25 HB3 GLU 25 11.644 -5.732 -10.268 202 HG2 GLU 25 HG2 GLU 25 13.844 -5.659 -12.061 203 HG3 GLU 25 HG3 GLU 25 14.458 -5.929 -10.431 204 HA PRO 26 HA PRO 26 8.797 -1.567 -10.429 205 HB2 PRO 26 HB2 PRO 26 6.779 -3.194 -9.620 206 HB3 PRO 26 HB3 PRO 26 7.073 -2.797 -11.318 207 HG2 PRO 26 HG2 PRO 26 7.853 -5.245 -9.782 208 HG3 PRO 26 HG3 PRO 26 7.182 -5.117 -11.418 209 HD2 PRO 26 HD2 PRO 26 9.823 -5.501 -10.953 210 HD3 PRO 26 HD3 PRO 26 9.222 -4.583 -12.350 211 H GLY 27 H GLY 27 9.214 -0.566 -8.562 212 HA2 GLY 27 HA2 GLY 27 8.745 -0.377 -6.212 213 HA3 GLY 27 HA3 GLY 27 8.972 -2.115 -6.070 214 H ASP 28 H ASP 28 11.408 -2.122 -7.681 215 HA ASP 28 HA ASP 28 13.254 -1.493 -5.563 216 HB2 ASP 28 HB2 ASP 28 13.500 -2.789 -8.262 217 HB3 ASP 28 HB3 ASP 28 14.939 -2.319 -7.361 218 H SER 29 H SER 29 14.843 0.055 -5.545 219 HA SER 29 HA SER 29 14.358 2.514 -6.707 220 HB2 SER 29 HB2 SER 29 16.500 3.197 -5.903 221 HB3 SER 29 HB3 SER 29 15.898 2.001 -4.756 222 HG SER 29 HG SER 29 18.176 1.839 -5.631 223 H CYS 30 H CYS 30 15.466 3.704 -8.354 224 HA CYS 30 HA CYS 30 16.711 2.028 -10.429 225 HB2 CYS 30 HB2 CYS 30 14.973 4.368 -11.149 226 HB3 CYS 30 HB3 CYS 30 15.433 2.984 -12.136 227 H SER 31 H SER 31 17.692 3.587 -12.185 228 HA SER 31 HA SER 31 19.318 5.548 -10.714 229 HB2 SER 31 HB2 SER 31 19.881 3.761 -13.053 230 HB3 SER 31 HB3 SER 31 20.806 5.249 -12.855 231 HG SER 31 HG SER 31 21.423 4.511 -10.793 232 H LYS 32 H LYS 32 17.273 5.073 -13.506 233 HA LYS 32 HA LYS 32 16.898 7.921 -13.760 234 HB2 LYS 32 HB2 LYS 32 18.367 6.328 -15.836 235 HB3 LYS 32 HB3 LYS 32 17.388 7.708 -16.310 236 HG2 LYS 32 HG2 LYS 32 18.732 9.024 -14.577 237 HG3 LYS 32 HG3 LYS 32 19.847 7.656 -14.600 238 HD2 LYS 32 HD2 LYS 32 19.998 7.937 -17.086 239 HD3 LYS 32 HD3 LYS 32 19.068 9.428 -16.911 240 HE2 LYS 32 HE2 LYS 32 21.509 9.050 -15.245 241 HE3 LYS 32 HE3 LYS 32 21.701 9.453 -16.950 242 HZ1 LYS 32 HZ1 LYS 32 21.670 11.464 -15.708 243 HZ2 LYS 32 HZ2 LYS 32 20.255 11.025 -14.891 244 HZ3 LYS 32 HZ3 LYS 32 20.202 11.373 -16.546 245 H ARG 33 H ARG 33 15.093 8.477 -15.080 246 HA ARG 33 HA ARG 33 12.914 6.772 -14.894 247 HB2 ARG 33 HB2 ARG 33 12.995 9.314 -15.329 248 HB3 ARG 33 HB3 ARG 33 13.116 8.880 -17.028 249 HG2 ARG 33 HG2 ARG 33 10.998 7.441 -16.507 250 HG3 ARG 33 HG3 ARG 33 10.834 8.550 -15.145 251 HD2 ARG 33 HD2 ARG 33 11.436 10.038 -17.511 252 HD3 ARG 33 HD3 ARG 33 10.079 8.961 -17.833 253 HE ARG 33 HE ARG 33 8.783 10.212 -16.411 254 HH11 ARG 33 HH11 ARG 33 12.131 11.071 -15.992 255 HH12 ARG 33 HH12 ARG 33 11.788 12.439 -14.985 256 HH21 ARG 33 HH21 ARG 33 8.320 12.008 -15.083 257 HH22 ARG 33 HH22 ARG 33 9.621 12.970 -14.467 258 H ASP 34 H ASP 34 15.283 7.117 -17.444 259 HA ASP 34 HA ASP 34 13.884 5.694 -19.451 260 HB2 ASP 34 HB2 ASP 34 16.089 7.181 -19.517 261 HB3 ASP 34 HB3 ASP 34 16.863 5.607 -19.354 262 H GLU 35 H GLU 35 15.624 4.702 -16.649 263 HA GLU 35 HA GLU 35 16.357 2.098 -17.443 264 HB2 GLU 35 HB2 GLU 35 15.697 3.122 -14.676 265 HB3 GLU 35 HB3 GLU 35 16.545 1.625 -15.038 266 HG2 GLU 35 HG2 GLU 35 17.532 4.370 -15.772 267 HG3 GLU 35 HG3 GLU 35 18.035 3.465 -14.346 268 H CYS 36 H CYS 36 13.368 3.463 -16.255 269 HA CYS 36 HA CYS 36 12.081 1.030 -15.591 270 HB2 CYS 36 HB2 CYS 36 11.453 3.535 -15.064 271 HB3 CYS 36 HB3 CYS 36 10.535 3.401 -16.561 272 H CYS 37 H CYS 37 11.288 -0.508 -16.858 273 HA CYS 37 HA CYS 37 11.396 -0.261 -19.710 274 HB2 CYS 37 HB2 CYS 37 11.336 -2.376 -17.840 275 HB3 CYS 37 HB3 CYS 37 9.906 -2.569 -18.850 276 H LYS 38 H LYS 38 9.248 -1.586 -20.682 277 HA LYS 38 HA LYS 38 6.943 0.075 -19.901 278 HB2 LYS 38 HB2 LYS 38 7.579 -0.786 -22.724 279 HB3 LYS 38 HB3 LYS 38 6.315 0.321 -22.208 280 HG2 LYS 38 HG2 LYS 38 8.322 1.705 -21.266 281 HG3 LYS 38 HG3 LYS 38 9.250 0.768 -22.439 282 HD2 LYS 38 HD2 LYS 38 6.735 1.968 -23.423 283 HD3 LYS 38 HD3 LYS 38 8.034 3.097 -23.023 284 HE2 LYS 38 HE2 LYS 38 9.555 1.761 -24.468 285 HE3 LYS 38 HE3 LYS 38 8.174 0.772 -24.940 286 HZ1 LYS 38 HZ1 LYS 38 7.905 2.249 -26.563 287 HZ2 LYS 38 HZ2 LYS 38 8.944 3.378 -25.850 288 HZ3 LYS 38 HZ3 LYS 38 7.319 3.310 -25.383 289 H ALA 39 H ALA 39 5.217 -1.058 -19.321 290 HA ALA 39 HA ALA 39 5.088 -3.809 -19.166 291 HB1 ALA 39 HB1 ALA 39 2.449 -2.691 -19.523 292 HB2 ALA 39 HB2 ALA 39 3.193 -3.389 -18.084 293 HB3 ALA 39 HB3 ALA 39 3.437 -1.685 -18.464 294 H ASP 40 H ASP 40 3.692 -5.339 -20.288 295 HA ASP 40 HA ASP 40 4.187 -5.536 -22.994 296 HB2 ASP 40 HB2 ASP 40 2.121 -6.790 -21.214 297 HB3 ASP 40 HB3 ASP 40 2.115 -7.114 -22.945 298 H ASP 41 H ASP 41 1.445 -4.062 -21.351 299 HA ASP 41 HA ASP 41 0.384 -3.212 -23.962 300 HB2 ASP 41 HB2 ASP 41 -0.991 -4.532 -22.091 301 HB3 ASP 41 HB3 ASP 41 -1.234 -2.896 -21.483 302 H GLN 42 H GLN 42 2.516 -1.787 -23.253 303 HA GLN 42 HA GLN 42 2.274 0.350 -21.525 304 HB2 GLN 42 HB2 GLN 42 3.860 1.537 -23.070 305 HB3 GLN 42 HB3 GLN 42 4.374 -0.072 -22.580 306 HG2 GLN 42 HG2 GLN 42 4.069 -0.960 -24.669 307 HG3 GLN 42 HG3 GLN 42 2.861 0.241 -25.122 308 HE21 GLN 42 HE21 GLN 42 5.637 -0.772 -26.111 309 HE22 GLN 42 HE22 GLN 42 6.439 0.697 -26.541 310 H LYS 43 H LYS 43 0.817 -0.121 -24.654 311 HA LYS 43 HA LYS 43 0.130 2.494 -25.315 312 HB2 LYS 43 HB2 LYS 43 -1.319 -0.103 -25.846 313 HB3 LYS 43 HB3 LYS 43 -1.786 1.434 -26.564 314 HG2 LYS 43 HG2 LYS 43 0.059 1.515 -27.927 315 HG3 LYS 43 HG3 LYS 43 1.021 0.482 -26.868 316 HD2 LYS 43 HD2 LYS 43 -0.009 -1.465 -27.633 317 HD3 LYS 43 HD3 LYS 43 -1.403 -0.589 -28.271 318 HE2 LYS 43 HE2 LYS 43 -0.285 -1.049 -30.215 319 HE3 LYS 43 HE3 LYS 43 0.418 0.518 -29.814 320 HZ1 LYS 43 HZ1 LYS 43 1.930 -1.492 -30.437 321 HZ2 LYS 43 HZ2 LYS 43 1.717 -1.916 -28.814 322 HZ3 LYS 43 HZ3 LYS 43 2.399 -0.421 -29.214 323 H THR 44 H THR 44 -1.275 0.299 -22.995 324 HA THR 44 HA THR 44 -3.399 2.251 -22.417 325 HB THR 44 HB THR 44 -4.284 0.277 -20.974 326 HG1 THR 44 HG1 THR 44 -2.627 -1.173 -21.099 327 HG21 THR 44 HG21 THR 44 -5.623 0.867 -22.773 328 HG22 THR 44 HG22 THR 44 -5.206 -0.804 -23.157 329 HG23 THR 44 HG23 THR 44 -4.360 0.523 -23.955 330 H TYR 45 H TYR 45 -0.814 0.346 -20.949 331 HA TYR 45 HA TYR 45 -1.208 1.743 -18.406 332 HB2 TYR 45 HB2 TYR 45 0.795 -0.445 -18.931 333 HB3 TYR 45 HB3 TYR 45 0.114 0.065 -17.390 334 HD1 TYR 45 HD1 TYR 45 -2.784 0.170 -18.174 335 HD2 TYR 45 HD2 TYR 45 0.230 -2.728 -18.962 336 HE1 TYR 45 HE1 TYR 45 -4.513 -1.571 -18.359 337 HE2 TYR 45 HE2 TYR 45 -1.491 -4.475 -19.151 338 HH TYR 45 HH TYR 45 -4.832 -3.860 -18.339 339 H SER 46 H SER 46 0.256 3.139 -17.555 340 HA SER 46 HA SER 46 2.430 3.983 -19.336 341 HB2 SER 46 HB2 SER 46 0.543 5.536 -18.290 342 HB3 SER 46 HB3 SER 46 1.661 5.569 -16.926 343 HG SER 46 HG SER 46 1.825 6.840 -19.309 344 H SER 47 H SER 47 4.472 3.555 -18.845 345 HA SER 47 HA SER 47 5.087 2.614 -16.128 346 HB2 SER 47 HB2 SER 47 7.062 1.532 -17.146 347 HB3 SER 47 HB3 SER 47 5.559 0.988 -17.893 348 HG SER 47 HG SER 47 7.655 2.062 -19.080 349 H GLY 48 H GLY 48 6.875 3.404 -15.005 350 HA2 GLY 48 HA2 GLY 48 8.782 5.197 -15.991 351 HA3 GLY 48 HA3 GLY 48 7.447 6.143 -15.352 352 H CYS 49 H CYS 49 10.106 6.168 -14.353 353 HA CYS 49 HA CYS 49 9.677 5.001 -11.680 354 HB2 CYS 49 HB2 CYS 49 11.591 4.065 -13.150 355 HB3 CYS 49 HB3 CYS 49 12.405 5.588 -12.802 356 H ALA 50 H ALA 50 9.041 6.624 -10.409 357 HA ALA 50 HA ALA 50 10.630 9.106 -10.450 358 HB1 ALA 50 HB1 ALA 50 7.647 8.819 -10.162 359 HB2 ALA 50 HB2 ALA 50 8.526 10.297 -9.768 360 HB3 ALA 50 HB3 ALA 50 8.537 9.678 -11.420 361 H GLN 51 H GLN 51 10.763 10.233 -8.418 362 HA GLN 51 HA GLN 51 11.351 8.581 -6.245 363 HB2 GLN 51 HB2 GLN 51 10.681 11.526 -6.146 364 HB3 GLN 51 HB3 GLN 51 11.600 10.620 -4.951 365 HG2 GLN 51 HG2 GLN 51 13.412 10.311 -6.460 366 HG3 GLN 51 HG3 GLN 51 12.471 10.949 -7.807 367 HE21 GLN 51 HE21 GLN 51 11.413 13.205 -6.940 368 HE22 GLN 51 HE22 GLN 51 12.625 14.332 -6.439 369 H THR 52 H THR 52 10.246 7.924 -4.471 370 HA THR 52 HA THR 52 7.564 8.955 -3.971 371 HB THR 52 HB THR 52 6.589 6.690 -3.831 372 HG1 THR 52 HG1 THR 52 7.928 5.061 -3.855 373 HG21 THR 52 HG21 THR 52 6.132 6.476 -6.105 374 HG22 THR 52 HG22 THR 52 7.760 6.965 -6.578 375 HG23 THR 52 HG23 THR 52 6.624 8.164 -5.959 376 H TRP 53 H TRP 53 7.239 9.211 -1.860 377 HA TRP 53 HA TRP 53 9.149 8.769 0.080 378 HB2 TRP 53 HB2 TRP 53 7.335 10.296 0.485 379 HB3 TRP 53 HB3 TRP 53 6.149 9.000 0.358 380 HD1 TRP 53 HD1 TRP 53 5.663 7.580 2.506 381 HE1 TRP 53 HE1 TRP 53 6.426 7.751 4.959 382 HE3 TRP 53 HE3 TRP 53 9.434 10.987 1.947 383 HZ2 TRP 53 HZ2 TRP 53 8.368 9.147 6.458 384 HZ3 TRP 53 HZ3 TRP 53 10.695 11.688 3.941 385 HH2 TRP 53 HH2 TRP 53 10.171 10.785 6.149 386 H SER 54 H SER 54 10.021 6.893 0.655 387 HA SER 54 HA SER 54 8.314 4.505 0.781 388 HB2 SER 54 HB2 SER 54 10.296 4.318 -0.662 389 HB3 SER 54 HB3 SER 54 11.335 4.724 0.704 390 HG SER 54 HG SER 54 9.598 2.482 0.612 391 H ALA 55 H ALA 55 7.586 3.966 2.718 392 HA ALA 55 HA ALA 55 8.642 5.064 5.129 393 HB1 ALA 55 HB1 ALA 55 6.848 2.705 5.231 394 HB2 ALA 55 HB2 ALA 55 6.802 4.205 6.154 395 HB3 ALA 55 HB3 ALA 55 6.224 4.178 4.489 396 H MET 56 H MET 56 8.766 1.866 3.608 397 HA MET 56 HA MET 56 10.087 0.528 5.697 398 HB2 MET 56 HB2 MET 56 9.937 0.031 2.731 399 HB3 MET 56 HB3 MET 56 10.842 -1.026 3.806 400 HG2 MET 56 HG2 MET 56 8.700 -1.278 5.131 401 HG3 MET 56 HG3 MET 56 7.889 -0.497 3.774 402 HE1 MET 56 HE1 MET 56 6.542 -3.679 2.680 403 HE2 MET 56 HE2 MET 56 6.349 -2.050 3.327 404 HE3 MET 56 HE3 MET 56 6.883 -2.280 1.661 405 H GLU 57 H GLU 57 11.372 2.093 2.770 406 HA GLU 57 HA GLU 57 14.097 1.606 3.471 407 HB2 GLU 57 HB2 GLU 57 13.049 3.666 1.527 408 HB3 GLU 57 HB3 GLU 57 14.656 2.956 1.562 409 HG2 GLU 57 HG2 GLU 57 12.159 1.363 1.068 410 HG3 GLU 57 HG3 GLU 57 13.125 2.087 -0.217 411 H GLY 58 H GLY 58 11.825 4.223 3.984 412 HA2 GLY 58 HA2 GLY 58 11.929 5.956 5.512 413 HA3 GLY 58 HA3 GLY 58 13.491 5.344 6.037 414 H GLY 59 H GLY 59 12.698 6.197 2.719 415 HA2 GLY 59 HA2 GLY 59 13.750 8.830 2.794 416 HA3 GLY 59 HA3 GLY 59 14.995 7.700 2.284 417 H PHE 60 H PHE 60 13.550 9.900 0.859 418 HA PHE 60 HA PHE 60 11.747 8.915 -1.018 419 HB2 PHE 60 HB2 PHE 60 13.693 11.203 -1.052 420 HB3 PHE 60 HB3 PHE 60 12.724 10.831 -2.475 421 HD1 PHE 60 HD1 PHE 60 12.877 12.783 0.384 422 HD2 PHE 60 HD2 PHE 60 10.135 10.464 -1.900 423 HE1 PHE 60 HE1 PHE 60 11.006 14.069 1.332 424 HE2 PHE 60 HE2 PHE 60 8.259 11.746 -0.957 425 HZ PHE 60 HZ PHE 60 8.694 13.551 0.663 426 H VAL 61 H VAL 61 11.952 7.469 -2.583 427 HA VAL 61 HA VAL 61 14.496 7.225 -4.008 428 HB VAL 61 HB VAL 61 14.271 4.711 -3.927 429 HG11 VAL 61 HG11 VAL 61 15.417 4.505 -1.809 430 HG12 VAL 61 HG12 VAL 61 15.938 5.982 -2.622 431 HG13 VAL 61 HG13 VAL 61 14.791 6.068 -1.285 432 HG21 VAL 61 HG21 VAL 61 12.578 3.737 -2.868 433 HG22 VAL 61 HG22 VAL 61 12.927 4.629 -1.387 434 HG23 VAL 61 HG23 VAL 61 11.876 5.336 -2.614 435 H ARG 62 H ARG 62 14.299 6.674 -6.138 436 HA ARG 62 HA ARG 62 11.646 6.839 -7.267 437 HB2 ARG 62 HB2 ARG 62 14.287 6.431 -8.679 438 HB3 ARG 62 HB3 ARG 62 12.768 6.930 -9.414 439 HG2 ARG 62 HG2 ARG 62 12.857 9.052 -8.426 440 HG3 ARG 62 HG3 ARG 62 14.096 8.554 -7.273 441 HD2 ARG 62 HD2 ARG 62 15.778 8.585 -8.873 442 HD3 ARG 62 HD3 ARG 62 14.639 8.465 -10.213 443 HE ARG 62 HE ARG 62 14.054 10.859 -9.064 444 HH11 ARG 62 HH11 ARG 62 16.956 9.399 -10.313 445 HH12 ARG 62 HH12 ARG 62 17.664 10.906 -10.792 446 HH21 ARG 62 HH21 ARG 62 14.975 12.850 -9.688 447 HH22 ARG 62 HH22 ARG 62 16.537 12.867 -10.435 448 H GLU 63 H GLU 63 10.407 5.087 -7.351 449 HA GLU 63 HA GLU 63 11.675 2.505 -7.986 450 HB2 GLU 63 HB2 GLU 63 9.907 1.405 -6.759 451 HB3 GLU 63 HB3 GLU 63 10.660 2.613 -5.729 452 HG2 GLU 63 HG2 GLU 63 8.773 4.161 -6.408 453 HG3 GLU 63 HG3 GLU 63 7.988 2.737 -7.086 454 H CYS 64 H CYS 64 10.961 1.374 -9.704 455 HA CYS 64 HA CYS 64 9.428 2.643 -11.692 456 HB2 CYS 64 HB2 CYS 64 11.146 0.826 -12.041 457 HB3 CYS 64 HB3 CYS 64 9.943 -0.325 -11.472 458 H TYR 65 H TYR 65 7.309 2.640 -12.160 459 HA TYR 65 HA TYR 65 5.552 0.791 -10.703 460 HB2 TYR 65 HB2 TYR 65 3.924 2.658 -10.407 461 HB3 TYR 65 HB3 TYR 65 5.416 2.878 -9.501 462 HD1 TYR 65 HD1 TYR 65 3.570 3.959 -12.521 463 HD2 TYR 65 HD2 TYR 65 6.815 4.753 -9.884 464 HE1 TYR 65 HE1 TYR 65 3.869 6.167 -13.563 465 HE2 TYR 65 HE2 TYR 65 7.122 6.964 -10.918 466 HH TYR 65 HH TYR 65 6.569 7.997 -13.248 467 H ILE 66 H ILE 66 3.607 0.256 -11.749 468 HA ILE 66 HA ILE 66 3.294 1.204 -14.507 469 HB ILE 66 HB ILE 66 3.278 -1.704 -13.692 470 HG12 ILE 66 HG12 ILE 66 5.083 -0.346 -15.693 471 HG13 ILE 66 HG13 ILE 66 5.518 -0.509 -13.996 472 HG21 ILE 66 HG21 ILE 66 1.805 -1.898 -15.367 473 HG22 ILE 66 HG22 ILE 66 2.156 -0.287 -15.990 474 HG23 ILE 66 HG23 ILE 66 3.197 -1.645 -16.420 475 HD11 ILE 66 HD11 ILE 66 5.302 -2.958 -14.225 476 HD12 ILE 66 HD12 ILE 66 4.999 -2.737 -15.947 477 HD13 ILE 66 HD13 ILE 66 6.550 -2.263 -15.258 478 H CYS 67 H CYS 67 1.319 2.013 -14.680 479 HA CYS 67 HA CYS 67 -0.937 0.525 -13.564 480 HB2 CYS 67 HB2 CYS 67 0.056 2.953 -12.453 481 HB3 CYS 67 HB3 CYS 67 -1.493 3.300 -13.215 482 H ALA 68 H ALA 68 -3.059 1.528 -14.351 483 HA ALA 68 HA ALA 68 -2.807 1.929 -17.221 484 HB1 ALA 68 HB1 ALA 68 -4.744 0.846 -17.351 485 HB2 ALA 68 HB2 ALA 68 -4.630 0.579 -15.610 486 HB3 ALA 68 HB3 ALA 68 -5.520 1.969 -16.234 487 H VAL 69 H VAL 69 -4.028 3.596 -18.333 488 HA VAL 69 HA VAL 69 -3.689 6.157 -17.087 489 HB VAL 69 HB VAL 69 -5.041 5.587 -19.724 490 HG11 VAL 69 HG11 VAL 69 -5.298 7.860 -18.761 491 HG12 VAL 69 HG12 VAL 69 -3.540 8.025 -18.777 492 HG13 VAL 69 HG13 VAL 69 -4.424 7.840 -20.292 493 HG21 VAL 69 HG21 VAL 69 -3.096 4.827 -20.488 494 HG22 VAL 69 HG22 VAL 69 -2.410 6.423 -20.183 495 HG23 VAL 69 HG23 VAL 69 -2.302 5.168 -18.950 496 H GLU 70 H GLU 70 -6.478 4.272 -18.227 497 HA GLU 70 HA GLU 70 -8.303 6.206 -17.024 498 HB2 GLU 70 HB2 GLU 70 -10.077 4.822 -18.074 499 HB3 GLU 70 HB3 GLU 70 -8.897 5.426 -19.230 500 HG2 GLU 70 HG2 GLU 70 -7.817 3.277 -19.322 501 HG3 GLU 70 HG3 GLU 70 -8.873 2.656 -18.054 502 H SER 71 H SER 71 -7.184 2.905 -16.611 503 HA SER 71 HA SER 71 -9.083 2.273 -14.551 504 HB2 SER 71 HB2 SER 71 -6.580 0.696 -14.748 505 HB3 SER 71 HB3 SER 71 -8.254 0.151 -14.661 506 HG SER 71 HG SER 71 -7.594 -0.289 -16.706 507 H SER 72 H SER 72 -8.919 3.673 -12.856 508 HA SER 72 HA SER 72 -6.335 4.259 -11.676 509 HB2 SER 72 HB2 SER 72 -8.352 5.884 -11.912 510 HB3 SER 72 HB3 SER 72 -8.975 5.063 -10.480 511 HG SER 72 HG SER 72 -7.578 7.016 -10.201 512 H MET 73 H MET 73 -9.067 2.185 -11.113 513 HA MET 73 HA MET 73 -8.872 1.592 -8.437 514 HB2 MET 73 HB2 MET 73 -9.559 -0.130 -10.805 515 HB3 MET 73 HB3 MET 73 -9.594 -0.769 -9.167 516 HG2 MET 73 HG2 MET 73 -11.291 0.766 -8.519 517 HG3 MET 73 HG3 MET 73 -11.141 1.655 -10.032 518 HE1 MET 73 HE1 MET 73 -12.861 -0.413 -7.991 519 HE2 MET 73 HE2 MET 73 -14.314 -0.235 -8.975 520 HE3 MET 73 HE3 MET 73 -13.535 -1.811 -8.832 521 H CYS 74 H CYS 74 -6.782 0.571 -11.055 522 HA CYS 74 HA CYS 74 -5.425 -1.541 -9.932 523 HB2 CYS 74 HB2 CYS 74 -3.632 -1.061 -11.432 524 HB3 CYS 74 HB3 CYS 74 -5.115 -0.581 -12.247 Start of MODEL 19 1 H1 SER 1 H SER 1 1.785 0.873 0.621 2 HA SER 1 HA SER 1 0.407 0.836 -1.980 3 HB2 SER 1 HB2 SER 1 2.824 1.084 -2.859 4 HB3 SER 1 HB3 SER 1 2.077 2.490 -2.099 5 HG SER 1 HG SER 1 4.284 1.922 -1.408 6 H ASN 2 H ASN 2 -0.143 -1.196 -2.458 7 HA ASN 2 HA ASN 2 1.522 -3.429 -1.663 8 HB2 ASN 2 HB2 ASN 2 -1.120 -3.253 -1.825 9 HB3 ASN 2 HB3 ASN 2 -0.822 -3.765 -3.483 10 HD21 ASN 2 HD21 ASN 2 -2.277 -5.441 -2.148 11 HD22 ASN 2 HD22 ASN 2 -1.390 -6.824 -1.614 12 H ARG 3 H ARG 3 1.794 -5.206 -3.418 13 HA ARG 3 HA ARG 3 3.627 -4.278 -5.314 14 HB2 ARG 3 HB2 ARG 3 2.984 -6.719 -4.324 15 HB3 ARG 3 HB3 ARG 3 2.272 -6.830 -5.928 16 HG2 ARG 3 HG2 ARG 3 4.437 -7.705 -6.133 17 HG3 ARG 3 HG3 ARG 3 4.518 -6.084 -6.826 18 HD2 ARG 3 HD2 ARG 3 6.450 -6.519 -5.412 19 HD3 ARG 3 HD3 ARG 3 5.450 -5.238 -4.729 20 HE ARG 3 HE ARG 3 4.678 -7.697 -3.617 21 HH11 ARG 3 HH11 ARG 3 7.337 -5.451 -3.578 22 HH12 ARG 3 HH12 ARG 3 7.838 -5.870 -1.973 23 HH21 ARG 3 HH21 ARG 3 5.328 -8.259 -1.504 24 HH22 ARG 3 HH22 ARG 3 6.695 -7.468 -0.796 25 H TRP 4 H TRP 4 0.199 -5.060 -5.604 26 HA TRP 4 HA TRP 4 -0.108 -5.004 -8.349 27 HB2 TRP 4 HB2 TRP 4 -2.073 -3.830 -6.373 28 HB3 TRP 4 HB3 TRP 4 -2.431 -4.489 -7.967 29 HD1 TRP 4 HD1 TRP 4 -2.930 -5.431 -4.586 30 HE1 TRP 4 HE1 TRP 4 -2.985 -7.983 -4.255 31 HE3 TRP 4 HE3 TRP 4 -0.815 -6.868 -9.011 32 HZ2 TRP 4 HZ2 TRP 4 -2.232 -10.299 -5.682 33 HZ3 TRP 4 HZ3 TRP 4 -0.516 -9.269 -9.452 34 HH2 TRP 4 HH2 TRP 4 -1.210 -10.949 -7.821 35 H ASN 5 H ASN 5 0.195 -2.326 -6.095 36 HA ASN 5 HA ASN 5 -0.595 -0.223 -7.739 37 HB2 ASN 5 HB2 ASN 5 1.528 -0.275 -5.584 38 HB3 ASN 5 HB3 ASN 5 0.870 1.194 -6.303 39 HD21 ASN 5 HD21 ASN 5 -0.435 2.128 -4.914 40 HD22 ASN 5 HD22 ASN 5 -1.620 1.338 -3.937 41 H LEU 6 H LEU 6 2.442 -1.973 -7.581 42 HA LEU 6 HA LEU 6 3.696 -0.185 -9.505 43 HB2 LEU 6 HB2 LEU 6 4.731 -2.696 -8.194 44 HB3 LEU 6 HB3 LEU 6 5.671 -1.606 -9.211 45 HG LEU 6 HG LEU 6 6.316 -1.053 -7.044 46 HD11 LEU 6 HD11 LEU 6 5.502 1.176 -6.668 47 HD12 LEU 6 HD12 LEU 6 4.051 0.850 -7.615 48 HD13 LEU 6 HD13 LEU 6 5.627 0.901 -8.407 49 HD21 LEU 6 HD21 LEU 6 5.050 -1.172 -5.151 50 HD22 LEU 6 HD22 LEU 6 4.195 -2.348 -6.149 51 HD23 LEU 6 HD23 LEU 6 3.563 -0.710 -5.981 52 H GLY 7 H GLY 7 1.403 -2.282 -9.930 53 HA2 GLY 7 HA2 GLY 7 0.729 -3.707 -11.603 54 HA3 GLY 7 HA3 GLY 7 1.782 -2.741 -12.625 55 H TYR 8 H TYR 8 2.918 -4.654 -9.916 56 HA TYR 8 HA TYR 8 4.940 -5.908 -11.389 57 HB2 TYR 8 HB2 TYR 8 5.148 -5.739 -9.006 58 HB3 TYR 8 HB3 TYR 8 3.659 -6.642 -8.753 59 HD1 TYR 8 HD1 TYR 8 6.786 -7.213 -10.733 60 HD2 TYR 8 HD2 TYR 8 4.043 -8.724 -7.853 61 HE1 TYR 8 HE1 TYR 8 8.083 -9.299 -10.603 62 HE2 TYR 8 HE2 TYR 8 5.334 -10.813 -7.713 63 HH TYR 8 HH TYR 8 7.379 -11.752 -8.212 64 H GLY 9 H GLY 9 1.794 -7.168 -10.298 65 HA2 GLY 9 HA2 GLY 9 1.986 -9.754 -11.263 66 HA3 GLY 9 HA3 GLY 9 0.481 -8.856 -11.134 67 H ILE 10 H ILE 10 1.002 -6.834 -13.008 68 HA ILE 10 HA ILE 10 0.103 -7.949 -15.363 69 HB ILE 10 HB ILE 10 1.749 -5.431 -15.108 70 HG12 ILE 10 HG12 ILE 10 -1.245 -5.848 -14.976 71 HG13 ILE 10 HG13 ILE 10 -0.205 -5.428 -13.620 72 HG21 ILE 10 HG21 ILE 10 0.707 -4.738 -17.173 73 HG22 ILE 10 HG22 ILE 10 1.523 -6.283 -17.412 74 HG23 ILE 10 HG23 ILE 10 -0.230 -6.230 -17.235 75 HD11 ILE 10 HD11 ILE 10 0.354 -3.313 -14.742 76 HD12 ILE 10 HD12 ILE 10 -0.766 -3.733 -16.039 77 HD13 ILE 10 HD13 ILE 10 -1.369 -3.476 -14.402 78 HA PRO 11 HA PRO 11 3.656 -9.990 -17.028 79 HB2 PRO 11 HB2 PRO 11 2.688 -10.385 -19.534 80 HB3 PRO 11 HB3 PRO 11 2.160 -11.334 -18.139 81 HG2 PRO 11 HG2 PRO 11 0.831 -8.995 -19.450 82 HG3 PRO 11 HG3 PRO 11 0.113 -10.506 -18.865 83 HD2 PRO 11 HD2 PRO 11 -0.003 -8.196 -17.457 84 HD3 PRO 11 HD3 PRO 11 0.078 -9.788 -16.674 85 H HIS 12 H HIS 12 5.482 -9.013 -17.610 86 HA HIS 12 HA HIS 12 5.352 -6.873 -19.633 87 HB2 HIS 12 HB2 HIS 12 7.478 -7.054 -17.509 88 HB3 HIS 12 HB3 HIS 12 7.062 -5.676 -18.522 89 HD1 HIS 12 HD1 HIS 12 6.894 -6.468 -15.185 90 HD2 HIS 12 HD2 HIS 12 4.002 -5.177 -17.875 91 HE1 HIS 12 HE1 HIS 12 5.067 -5.462 -13.780 92 H LYS 13 H LYS 13 7.337 -6.599 -20.913 93 HA LYS 13 HA LYS 13 8.631 -9.200 -21.402 94 HB2 LYS 13 HB2 LYS 13 7.143 -8.061 -23.197 95 HB3 LYS 13 HB3 LYS 13 8.509 -6.975 -23.417 96 HG2 LYS 13 HG2 LYS 13 9.943 -8.892 -23.930 97 HG3 LYS 13 HG3 LYS 13 8.558 -9.968 -23.741 98 HD2 LYS 13 HD2 LYS 13 7.431 -8.514 -25.528 99 HD3 LYS 13 HD3 LYS 13 9.049 -7.891 -25.854 100 HE2 LYS 13 HE2 LYS 13 9.800 -10.257 -26.175 101 HE3 LYS 13 HE3 LYS 13 8.112 -10.749 -26.050 102 HZ1 LYS 13 HZ1 LYS 13 9.022 -10.411 -28.362 103 HZ2 LYS 13 HZ2 LYS 13 9.030 -8.752 -28.033 104 HZ3 LYS 13 HZ3 LYS 13 7.572 -9.613 -28.012 105 H GLN 14 H GLN 14 10.612 -9.255 -20.572 106 HA GLN 14 HA GLN 14 12.139 -6.928 -19.990 107 HB2 GLN 14 HB2 GLN 14 12.183 -9.433 -19.033 108 HB3 GLN 14 HB3 GLN 14 13.501 -9.558 -20.190 109 HG2 GLN 14 HG2 GLN 14 13.310 -7.500 -18.002 110 HG3 GLN 14 HG3 GLN 14 14.259 -8.983 -17.925 111 HE21 GLN 14 HE21 GLN 14 14.922 -6.035 -17.923 112 HE22 GLN 14 HE22 GLN 14 16.154 -5.878 -19.123 113 H VAL 15 H VAL 15 13.816 -5.994 -21.059 114 HA VAL 15 HA VAL 15 14.929 -7.239 -23.434 115 HB VAL 15 HB VAL 15 14.518 -5.129 -24.783 116 HG11 VAL 15 HG11 VAL 15 12.102 -6.783 -24.058 117 HG12 VAL 15 HG12 VAL 15 12.337 -5.868 -25.549 118 HG13 VAL 15 HG13 VAL 15 13.362 -7.259 -25.195 119 HG21 VAL 15 HG21 VAL 15 13.124 -3.492 -24.083 120 HG22 VAL 15 HG22 VAL 15 12.083 -4.605 -23.195 121 HG23 VAL 15 HG23 VAL 15 13.607 -4.067 -22.487 122 H LYS 16 H LYS 16 16.894 -6.330 -24.098 123 HA LYS 16 HA LYS 16 18.361 -5.018 -22.019 124 HB2 LYS 16 HB2 LYS 16 19.195 -5.631 -24.861 125 HB3 LYS 16 HB3 LYS 16 20.269 -5.184 -23.542 126 HG2 LYS 16 HG2 LYS 16 18.582 -7.499 -22.961 127 HG3 LYS 16 HG3 LYS 16 19.692 -7.733 -24.313 128 HD2 LYS 16 HD2 LYS 16 20.515 -6.706 -21.600 129 HD3 LYS 16 HD3 LYS 16 20.628 -8.395 -22.099 130 HE2 LYS 16 HE2 LYS 16 21.837 -6.440 -23.940 131 HE3 LYS 16 HE3 LYS 16 22.624 -6.589 -22.370 132 HZ1 LYS 16 HZ1 LYS 16 23.640 -8.132 -23.828 133 HZ2 LYS 16 HZ2 LYS 16 22.154 -8.736 -24.360 134 HZ3 LYS 16 HZ3 LYS 16 22.671 -9.036 -22.778 135 H LEU 17 H LEU 17 18.759 -2.914 -21.759 136 HA LEU 17 HA LEU 17 17.585 -1.024 -23.610 137 HB2 LEU 17 HB2 LEU 17 18.950 -0.751 -20.946 138 HB3 LEU 17 HB3 LEU 17 18.469 0.646 -21.906 139 HG LEU 17 HG LEU 17 16.384 -1.375 -21.289 140 HD11 LEU 17 HD11 LEU 17 17.659 0.430 -19.261 141 HD12 LEU 17 HD12 LEU 17 17.282 -1.287 -19.131 142 HD13 LEU 17 HD13 LEU 17 15.981 -0.097 -19.118 143 HD21 LEU 17 HD21 LEU 17 16.316 1.632 -21.196 144 HD22 LEU 17 HD22 LEU 17 14.953 0.518 -21.299 145 HD23 LEU 17 HD23 LEU 17 16.048 0.701 -22.670 146 HA PRO 18 HA PRO 18 21.201 0.152 -25.801 147 HB2 PRO 18 HB2 PRO 18 20.827 2.826 -26.095 148 HB3 PRO 18 HB3 PRO 18 19.880 1.620 -26.976 149 HG2 PRO 18 HG2 PRO 18 19.164 3.156 -24.510 150 HG3 PRO 18 HG3 PRO 18 18.167 2.794 -25.931 151 HD2 PRO 18 HD2 PRO 18 17.965 1.402 -23.617 152 HD3 PRO 18 HD3 PRO 18 17.684 0.661 -25.205 153 H ASN 19 H ASN 19 20.602 1.323 -22.661 154 HA ASN 19 HA ASN 19 22.986 2.929 -22.440 155 HB2 ASN 19 HB2 ASN 19 21.023 1.930 -20.366 156 HB3 ASN 19 HB3 ASN 19 22.380 2.994 -20.008 157 HD21 ASN 19 HD21 ASN 19 19.180 2.780 -21.096 158 HD22 ASN 19 HD22 ASN 19 18.946 4.448 -21.485 159 H GLY 20 H GLY 20 22.173 -0.387 -22.136 160 HA2 GLY 20 HA2 GLY 20 24.019 -1.973 -22.149 161 HA3 GLY 20 HA3 GLY 20 24.857 -0.912 -21.026 162 H GLN 21 H GLN 21 22.206 -0.524 -19.591 163 HA GLN 21 HA GLN 21 22.464 -2.910 -17.919 164 HB2 GLN 21 HB2 GLN 21 20.886 -0.422 -17.279 165 HB3 GLN 21 HB3 GLN 21 21.471 -1.649 -16.163 166 HG2 GLN 21 HG2 GLN 21 23.790 -0.957 -16.701 167 HG3 GLN 21 HG3 GLN 21 23.128 0.348 -17.684 168 HE21 GLN 21 HE21 GLN 21 21.835 1.959 -16.614 169 HE22 GLN 21 HE22 GLN 21 22.125 2.327 -14.952 170 H LEU 22 H LEU 22 20.393 -3.689 -16.875 171 HA LEU 22 HA LEU 22 18.448 -4.163 -18.990 172 HB2 LEU 22 HB2 LEU 22 18.925 -5.417 -16.300 173 HB3 LEU 22 HB3 LEU 22 17.515 -5.799 -17.285 174 HG LEU 22 HG LEU 22 20.398 -6.301 -18.017 175 HD11 LEU 22 HD11 LEU 22 19.205 -7.760 -16.269 176 HD12 LEU 22 HD12 LEU 22 20.006 -8.559 -17.623 177 HD13 LEU 22 HD13 LEU 22 18.254 -8.355 -17.630 178 HD21 LEU 22 HD21 LEU 22 19.440 -7.479 -19.968 179 HD22 LEU 22 HD22 LEU 22 19.150 -5.739 -20.001 180 HD23 LEU 22 HD23 LEU 22 17.852 -6.841 -19.538 181 H CYS 23 H CYS 23 16.144 -4.058 -18.552 182 HA CYS 23 HA CYS 23 15.264 -1.606 -17.662 183 HB2 CYS 23 HB2 CYS 23 13.664 -4.175 -17.629 184 HB3 CYS 23 HB3 CYS 23 13.012 -2.540 -17.683 185 H LYS 24 H LYS 24 13.875 -1.060 -15.822 186 HA LYS 24 HA LYS 24 15.010 -2.114 -13.358 187 HB2 LYS 24 HB2 LYS 24 13.462 0.327 -14.111 188 HB3 LYS 24 HB3 LYS 24 13.428 -0.206 -12.436 189 HG2 LYS 24 HG2 LYS 24 15.931 0.387 -14.001 190 HG3 LYS 24 HG3 LYS 24 15.148 1.500 -12.879 191 HD2 LYS 24 HD2 LYS 24 16.204 0.552 -11.167 192 HD3 LYS 24 HD3 LYS 24 15.508 -1.017 -11.581 193 HE2 LYS 24 HE2 LYS 24 17.760 -1.467 -11.725 194 HE3 LYS 24 HE3 LYS 24 17.384 -1.048 -13.396 195 HZ1 LYS 24 HZ1 LYS 24 18.477 0.862 -11.404 196 HZ2 LYS 24 HZ2 LYS 24 18.250 1.140 -13.057 197 HZ3 LYS 24 HZ3 LYS 24 19.416 0.029 -12.540 198 H GLU 25 H GLU 25 13.780 -2.928 -11.637 199 HA GLU 25 HA GLU 25 11.341 -4.273 -12.483 200 HB2 GLU 25 HB2 GLU 25 12.681 -4.528 -9.797 201 HB3 GLU 25 HB3 GLU 25 11.605 -5.671 -10.587 202 HG2 GLU 25 HG2 GLU 25 13.743 -5.355 -12.345 203 HG3 GLU 25 HG3 GLU 25 14.467 -5.440 -10.740 204 HA PRO 26 HA PRO 26 8.514 -1.629 -10.413 205 HB2 PRO 26 HB2 PRO 26 6.615 -3.403 -9.631 206 HB3 PRO 26 HB3 PRO 26 6.838 -2.916 -11.316 207 HG2 PRO 26 HG2 PRO 26 7.797 -5.381 -9.913 208 HG3 PRO 26 HG3 PRO 26 7.075 -5.219 -11.526 209 HD2 PRO 26 HD2 PRO 26 9.745 -5.471 -11.142 210 HD3 PRO 26 HD3 PRO 26 9.056 -4.529 -12.480 211 H GLY 27 H GLY 27 9.124 -0.714 -8.541 212 HA2 GLY 27 HA2 GLY 27 8.646 -0.646 -6.159 213 HA3 GLY 27 HA3 GLY 27 8.965 -2.374 -6.105 214 H ASP 28 H ASP 28 11.342 -2.174 -7.796 215 HA ASP 28 HA ASP 28 13.238 -1.620 -5.720 216 HB2 ASP 28 HB2 ASP 28 13.362 -2.682 -8.507 217 HB3 ASP 28 HB3 ASP 28 14.844 -2.052 -7.791 218 H SER 29 H SER 29 15.086 -0.187 -5.963 219 HA SER 29 HA SER 29 14.275 2.433 -6.747 220 HB2 SER 29 HB2 SER 29 16.423 3.159 -5.913 221 HB3 SER 29 HB3 SER 29 15.791 1.934 -4.813 222 HG SER 29 HG SER 29 17.109 0.470 -6.314 223 H CYS 30 H CYS 30 15.244 3.790 -8.317 224 HA CYS 30 HA CYS 30 16.658 2.372 -10.474 225 HB2 CYS 30 HB2 CYS 30 14.741 4.605 -11.062 226 HB3 CYS 30 HB3 CYS 30 15.319 3.331 -12.130 227 H SER 31 H SER 31 17.524 4.118 -12.106 228 HA SER 31 HA SER 31 18.939 6.128 -10.486 229 HB2 SER 31 HB2 SER 31 19.747 4.540 -12.909 230 HB3 SER 31 HB3 SER 31 20.564 6.052 -12.515 231 HG SER 31 HG SER 31 21.487 4.051 -11.616 232 H LYS 32 H LYS 32 17.091 5.588 -13.410 233 HA LYS 32 HA LYS 32 16.524 8.426 -13.581 234 HB2 LYS 32 HB2 LYS 32 17.861 6.929 -15.842 235 HB3 LYS 32 HB3 LYS 32 17.093 8.501 -16.017 236 HG2 LYS 32 HG2 LYS 32 19.404 7.914 -14.177 237 HG3 LYS 32 HG3 LYS 32 19.542 8.632 -15.785 238 HD2 LYS 32 HD2 LYS 32 17.931 9.811 -13.523 239 HD3 LYS 32 HD3 LYS 32 19.579 10.293 -13.930 240 HE2 LYS 32 HE2 LYS 32 17.885 10.315 -16.266 241 HE3 LYS 32 HE3 LYS 32 17.202 11.315 -14.984 242 HZ1 LYS 32 HZ1 LYS 32 19.954 11.532 -16.083 243 HZ2 LYS 32 HZ2 LYS 32 19.327 12.473 -14.825 244 HZ3 LYS 32 HZ3 LYS 32 18.677 12.601 -16.381 245 H ARG 33 H ARG 33 14.656 8.904 -14.796 246 HA ARG 33 HA ARG 33 12.599 7.051 -14.683 247 HB2 ARG 33 HB2 ARG 33 12.292 9.503 -14.862 248 HB3 ARG 33 HB3 ARG 33 12.793 9.425 -16.546 249 HG2 ARG 33 HG2 ARG 33 10.861 7.829 -16.903 250 HG3 ARG 33 HG3 ARG 33 10.309 8.297 -15.295 251 HD2 ARG 33 HD2 ARG 33 9.145 9.762 -16.649 252 HD3 ARG 33 HD3 ARG 33 10.556 10.718 -16.200 253 HE ARG 33 HE ARG 33 10.889 9.249 -18.647 254 HH11 ARG 33 HH11 ARG 33 9.699 12.191 -17.214 255 HH12 ARG 33 HH12 ARG 33 9.836 13.113 -18.674 256 HH21 ARG 33 HH21 ARG 33 11.075 10.452 -20.577 257 HH22 ARG 33 HH22 ARG 33 10.619 12.122 -20.586 258 H ASP 34 H ASP 34 14.939 7.641 -17.200 259 HA ASP 34 HA ASP 34 13.605 6.295 -19.302 260 HB2 ASP 34 HB2 ASP 34 15.759 7.853 -19.259 261 HB3 ASP 34 HB3 ASP 34 16.585 6.300 -19.172 262 H GLU 35 H GLU 35 15.360 5.195 -16.547 263 HA GLU 35 HA GLU 35 16.178 2.665 -17.485 264 HB2 GLU 35 HB2 GLU 35 15.486 3.544 -14.676 265 HB3 GLU 35 HB3 GLU 35 16.326 2.057 -15.092 266 HG2 GLU 35 HG2 GLU 35 17.329 4.835 -15.661 267 HG3 GLU 35 HG3 GLU 35 17.849 3.812 -14.323 268 H CYS 36 H CYS 36 13.145 3.859 -16.224 269 HA CYS 36 HA CYS 36 11.944 1.324 -15.767 270 HB2 CYS 36 HB2 CYS 36 11.265 3.764 -14.988 271 HB3 CYS 36 HB3 CYS 36 10.289 3.713 -16.452 272 H CYS 37 H CYS 37 11.379 -0.117 -17.244 273 HA CYS 37 HA CYS 37 11.239 0.567 -20.033 274 HB2 CYS 37 HB2 CYS 37 11.281 -1.897 -18.421 275 HB3 CYS 37 HB3 CYS 37 10.328 -2.002 -19.898 276 H LYS 38 H LYS 38 9.307 -0.694 -21.225 277 HA LYS 38 HA LYS 38 6.844 0.444 -20.086 278 HB2 LYS 38 HB2 LYS 38 7.266 -0.338 -22.966 279 HB3 LYS 38 HB3 LYS 38 6.015 0.701 -22.297 280 HG2 LYS 38 HG2 LYS 38 8.111 2.142 -21.570 281 HG3 LYS 38 HG3 LYS 38 8.846 1.305 -22.939 282 HD2 LYS 38 HD2 LYS 38 7.398 2.261 -24.468 283 HD3 LYS 38 HD3 LYS 38 6.163 2.585 -23.251 284 HE2 LYS 38 HE2 LYS 38 8.828 3.968 -23.219 285 HE3 LYS 38 HE3 LYS 38 7.477 4.577 -24.173 286 HZ1 LYS 38 HZ1 LYS 38 7.722 5.553 -21.894 287 HZ2 LYS 38 HZ2 LYS 38 7.284 4.046 -21.264 288 HZ3 LYS 38 HZ3 LYS 38 6.196 4.904 -22.233 289 H ALA 39 H ALA 39 5.069 -0.799 -19.764 290 HA ALA 39 HA ALA 39 5.370 -3.591 -19.510 291 HB1 ALA 39 HB1 ALA 39 3.062 -3.634 -18.869 292 HB2 ALA 39 HB2 ALA 39 3.800 -2.184 -18.186 293 HB3 ALA 39 HB3 ALA 39 2.774 -2.062 -19.617 294 H ASP 40 H ASP 40 3.787 -5.168 -20.522 295 HA ASP 40 HA ASP 40 4.271 -5.445 -23.226 296 HB2 ASP 40 HB2 ASP 40 2.172 -6.601 -21.415 297 HB3 ASP 40 HB3 ASP 40 2.170 -6.976 -23.136 298 H ASP 41 H ASP 41 1.488 -3.971 -21.621 299 HA ASP 41 HA ASP 41 0.544 -3.038 -24.251 300 HB2 ASP 41 HB2 ASP 41 -0.913 -4.495 -22.572 301 HB3 ASP 41 HB3 ASP 41 -1.218 -2.918 -21.849 302 H GLN 42 H GLN 42 2.550 -1.563 -23.454 303 HA GLN 42 HA GLN 42 2.226 0.447 -21.594 304 HB2 GLN 42 HB2 GLN 42 3.908 1.665 -22.761 305 HB3 GLN 42 HB3 GLN 42 4.284 -0.041 -22.962 306 HG2 GLN 42 HG2 GLN 42 3.322 -0.004 -25.196 307 HG3 GLN 42 HG3 GLN 42 2.904 1.696 -24.996 308 HE21 GLN 42 HE21 GLN 42 5.686 -0.492 -24.840 309 HE22 GLN 42 HE22 GLN 42 6.817 0.617 -25.528 310 H LYS 43 H LYS 43 0.781 0.121 -24.748 311 HA LYS 43 HA LYS 43 -0.020 2.738 -25.240 312 HB2 LYS 43 HB2 LYS 43 -1.499 0.182 -25.893 313 HB3 LYS 43 HB3 LYS 43 -1.811 1.751 -26.623 314 HG2 LYS 43 HG2 LYS 43 0.737 0.159 -26.847 315 HG3 LYS 43 HG3 LYS 43 -0.488 0.365 -28.101 316 HD2 LYS 43 HD2 LYS 43 -0.024 2.918 -27.687 317 HD3 LYS 43 HD3 LYS 43 1.510 2.317 -27.054 318 HE2 LYS 43 HE2 LYS 43 1.982 1.208 -29.148 319 HE3 LYS 43 HE3 LYS 43 0.401 1.664 -29.782 320 HZ1 LYS 43 HZ1 LYS 43 2.424 3.058 -30.441 321 HZ2 LYS 43 HZ2 LYS 43 2.321 3.718 -28.888 322 HZ3 LYS 43 HZ3 LYS 43 1.023 3.876 -29.960 323 H THR 44 H THR 44 -1.337 0.341 -23.068 324 HA THR 44 HA THR 44 -3.524 2.174 -22.352 325 HB THR 44 HB THR 44 -4.327 0.082 -21.036 326 HG1 THR 44 HG1 THR 44 -2.582 -1.271 -21.275 327 HG21 THR 44 HG21 THR 44 -5.841 0.309 -22.664 328 HG22 THR 44 HG22 THR 44 -4.883 -0.838 -23.602 329 HG23 THR 44 HG23 THR 44 -4.626 0.894 -23.800 330 H TYR 45 H TYR 45 -0.862 0.277 -21.020 331 HA TYR 45 HA TYR 45 -1.295 1.474 -18.385 332 HB2 TYR 45 HB2 TYR 45 0.815 -0.562 -19.070 333 HB3 TYR 45 HB3 TYR 45 0.111 -0.206 -17.499 334 HD1 TYR 45 HD1 TYR 45 -2.791 -0.199 -18.277 335 HD2 TYR 45 HD2 TYR 45 0.373 -2.863 -19.276 336 HE1 TYR 45 HE1 TYR 45 -4.425 -2.008 -18.597 337 HE2 TYR 45 HE2 TYR 45 -1.252 -4.680 -19.600 338 HH TYR 45 HH TYR 45 -3.442 -5.177 -19.802 339 H SER 46 H SER 46 0.072 2.915 -17.473 340 HA SER 46 HA SER 46 2.213 3.960 -19.185 341 HB2 SER 46 HB2 SER 46 0.987 5.822 -18.663 342 HB3 SER 46 HB3 SER 46 0.408 5.144 -17.141 343 HG SER 46 HG SER 46 2.962 6.257 -17.676 344 H SER 47 H SER 47 4.271 3.612 -18.693 345 HA SER 47 HA SER 47 4.913 2.597 -16.008 346 HB2 SER 47 HB2 SER 47 6.886 1.567 -17.022 347 HB3 SER 47 HB3 SER 47 5.429 1.069 -17.882 348 HG SER 47 HG SER 47 5.948 2.834 -19.378 349 H GLY 48 H GLY 48 6.670 3.421 -14.862 350 HA2 GLY 48 HA2 GLY 48 8.499 5.324 -15.804 351 HA3 GLY 48 HA3 GLY 48 7.135 6.184 -15.106 352 H CYS 49 H CYS 49 9.809 6.279 -14.147 353 HA CYS 49 HA CYS 49 9.459 5.007 -11.513 354 HB2 CYS 49 HB2 CYS 49 11.365 4.152 -13.045 355 HB3 CYS 49 HB3 CYS 49 12.157 5.676 -12.660 356 H ALA 50 H ALA 50 8.813 6.581 -10.186 357 HA ALA 50 HA ALA 50 10.341 9.101 -10.196 358 HB1 ALA 50 HB1 ALA 50 8.164 9.589 -11.073 359 HB2 ALA 50 HB2 ALA 50 7.386 8.734 -9.740 360 HB3 ALA 50 HB3 ALA 50 8.261 10.234 -9.433 361 H GLN 51 H GLN 51 10.530 10.168 -8.137 362 HA GLN 51 HA GLN 51 11.256 8.468 -6.044 363 HB2 GLN 51 HB2 GLN 51 11.430 10.506 -4.679 364 HB3 GLN 51 HB3 GLN 51 12.162 10.716 -6.263 365 HG2 GLN 51 HG2 GLN 51 11.020 12.652 -6.197 366 HG3 GLN 51 HG3 GLN 51 9.716 11.635 -6.804 367 HE21 GLN 51 HE21 GLN 51 11.149 12.800 -3.786 368 HE22 GLN 51 HE22 GLN 51 9.658 12.930 -2.924 369 H THR 52 H THR 52 10.274 7.830 -4.164 370 HA THR 52 HA THR 52 7.579 8.736 -3.555 371 HB THR 52 HB THR 52 6.676 6.439 -3.417 372 HG1 THR 52 HG1 THR 52 8.600 5.257 -3.258 373 HG21 THR 52 HG21 THR 52 7.736 7.084 -6.171 374 HG22 THR 52 HG22 THR 52 6.325 7.844 -5.434 375 HG23 THR 52 HG23 THR 52 6.313 6.115 -5.783 376 H TRP 53 H TRP 53 7.204 8.779 -1.416 377 HA TRP 53 HA TRP 53 9.211 8.497 0.455 378 HB2 TRP 53 HB2 TRP 53 7.202 9.752 0.949 379 HB3 TRP 53 HB3 TRP 53 6.219 8.295 0.839 380 HD1 TRP 53 HD1 TRP 53 6.251 6.629 2.918 381 HE1 TRP 53 HE1 TRP 53 7.015 6.923 5.359 382 HE3 TRP 53 HE3 TRP 53 8.963 10.930 2.405 383 HZ2 TRP 53 HZ2 TRP 53 8.562 8.739 6.867 384 HZ3 TRP 53 HZ3 TRP 53 10.054 11.881 4.396 385 HH2 TRP 53 HH2 TRP 53 9.856 10.807 6.579 386 H SER 54 H SER 54 10.222 6.809 1.302 387 HA SER 54 HA SER 54 8.841 4.203 1.309 388 HB2 SER 54 HB2 SER 54 10.749 4.406 -0.337 389 HB3 SER 54 HB3 SER 54 11.829 4.600 1.044 390 HG SER 54 HG SER 54 10.648 2.518 1.727 391 H ALA 55 H ALA 55 8.650 3.229 3.221 392 HA ALA 55 HA ALA 55 9.678 4.507 5.583 393 HB1 ALA 55 HB1 ALA 55 7.407 3.454 5.406 394 HB2 ALA 55 HB2 ALA 55 8.210 1.884 5.428 395 HB3 ALA 55 HB3 ALA 55 8.351 2.966 6.814 396 H MET 56 H MET 56 10.250 1.462 3.871 397 HA MET 56 HA MET 56 12.041 0.356 5.746 398 HB2 MET 56 HB2 MET 56 11.531 -0.125 2.825 399 HB3 MET 56 HB3 MET 56 12.842 -0.954 3.656 400 HG2 MET 56 HG2 MET 56 10.043 -1.028 4.713 401 HG3 MET 56 HG3 MET 56 10.579 -2.135 3.450 402 HE1 MET 56 HE1 MET 56 12.448 -3.466 3.479 403 HE2 MET 56 HE2 MET 56 13.672 -3.515 4.748 404 HE3 MET 56 HE3 MET 56 12.377 -4.712 4.725 405 H GLU 57 H GLU 57 12.648 2.108 2.703 406 HA GLU 57 HA GLU 57 15.470 2.160 3.044 407 HB2 GLU 57 HB2 GLU 57 13.794 4.017 1.351 408 HB3 GLU 57 HB3 GLU 57 15.503 3.657 1.153 409 HG2 GLU 57 HG2 GLU 57 13.275 1.661 0.832 410 HG3 GLU 57 HG3 GLU 57 14.071 2.514 -0.489 411 H GLY 58 H GLY 58 12.853 4.296 3.973 412 HA2 GLY 58 HA2 GLY 58 12.846 5.983 5.552 413 HA3 GLY 58 HA3 GLY 58 14.548 5.658 5.847 414 H GLY 59 H GLY 59 13.206 6.414 2.689 415 HA2 GLY 59 HA2 GLY 59 13.680 9.192 2.718 416 HA3 GLY 59 HA3 GLY 59 15.119 8.381 2.120 417 H PHE 60 H PHE 60 13.441 10.199 0.668 418 HA PHE 60 HA PHE 60 11.629 8.937 -1.047 419 HB2 PHE 60 HB2 PHE 60 13.326 11.405 -1.328 420 HB3 PHE 60 HB3 PHE 60 12.271 10.868 -2.632 421 HD1 PHE 60 HD1 PHE 60 12.478 13.070 -0.018 422 HD2 PHE 60 HD2 PHE 60 9.810 10.194 -1.668 423 HE1 PHE 60 HE1 PHE 60 10.584 14.222 1.048 424 HE2 PHE 60 HE2 PHE 60 7.910 11.342 -0.604 425 HZ PHE 60 HZ PHE 60 8.296 13.358 0.756 426 H VAL 61 H VAL 61 11.933 7.398 -2.502 427 HA VAL 61 HA VAL 61 14.455 7.336 -4.008 428 HB VAL 61 HB VAL 61 14.371 4.822 -3.904 429 HG11 VAL 61 HG11 VAL 61 15.153 6.677 -1.780 430 HG12 VAL 61 HG12 VAL 61 14.988 5.000 -1.255 431 HG13 VAL 61 HG13 VAL 61 16.081 5.409 -2.578 432 HG21 VAL 61 HG21 VAL 61 12.535 5.289 -1.561 433 HG22 VAL 61 HG22 VAL 61 11.997 4.717 -3.139 434 HG23 VAL 61 HG23 VAL 61 13.109 3.740 -2.179 435 H ARG 62 H ARG 62 14.252 6.884 -6.139 436 HA ARG 62 HA ARG 62 11.650 6.971 -7.302 437 HB2 ARG 62 HB2 ARG 62 14.265 6.322 -8.670 438 HB3 ARG 62 HB3 ARG 62 12.788 6.901 -9.429 439 HG2 ARG 62 HG2 ARG 62 13.584 8.732 -7.383 440 HG3 ARG 62 HG3 ARG 62 14.944 8.412 -8.460 441 HD2 ARG 62 HD2 ARG 62 12.911 8.706 -10.239 442 HD3 ARG 62 HD3 ARG 62 12.418 9.822 -8.966 443 HE ARG 62 HE ARG 62 14.514 10.205 -10.833 444 HH11 ARG 62 HH11 ARG 62 13.656 10.775 -7.506 445 HH12 ARG 62 HH12 ARG 62 14.675 12.168 -7.345 446 HH21 ARG 62 HH21 ARG 62 15.860 12.036 -10.632 447 HH22 ARG 62 HH22 ARG 62 15.927 12.884 -9.124 448 H GLU 63 H GLU 63 10.321 5.283 -7.300 449 HA GLU 63 HA GLU 63 11.457 2.604 -7.764 450 HB2 GLU 63 HB2 GLU 63 9.695 1.659 -6.457 451 HB3 GLU 63 HB3 GLU 63 10.390 2.978 -5.523 452 HG2 GLU 63 HG2 GLU 63 8.542 4.429 -6.202 453 HG3 GLU 63 HG3 GLU 63 7.842 3.098 -7.121 454 H CYS 64 H CYS 64 10.750 1.459 -9.462 455 HA CYS 64 HA CYS 64 9.220 2.698 -11.486 456 HB2 CYS 64 HB2 CYS 64 10.986 0.802 -11.656 457 HB3 CYS 64 HB3 CYS 64 9.631 -0.274 -11.333 458 H TYR 65 H TYR 65 7.119 2.453 -12.124 459 HA TYR 65 HA TYR 65 5.391 0.641 -10.615 460 HB2 TYR 65 HB2 TYR 65 3.722 2.466 -10.291 461 HB3 TYR 65 HB3 TYR 65 5.207 2.704 -9.377 462 HD1 TYR 65 HD1 TYR 65 3.336 3.798 -12.376 463 HD2 TYR 65 HD2 TYR 65 6.567 4.614 -9.732 464 HE1 TYR 65 HE1 TYR 65 3.586 6.029 -13.381 465 HE2 TYR 65 HE2 TYR 65 6.825 6.848 -10.728 466 HH TYR 65 HH TYR 65 5.195 8.493 -12.008 467 H ILE 66 H ILE 66 3.479 0.060 -11.682 468 HA ILE 66 HA ILE 66 3.132 1.066 -14.416 469 HB ILE 66 HB ILE 66 3.236 -1.861 -13.673 470 HG12 ILE 66 HG12 ILE 66 4.972 -0.337 -15.619 471 HG13 ILE 66 HG13 ILE 66 5.429 -0.622 -13.943 472 HG21 ILE 66 HG21 ILE 66 3.025 -2.047 -16.249 473 HG22 ILE 66 HG22 ILE 66 1.576 -1.781 -15.282 474 HG23 ILE 66 HG23 ILE 66 2.325 -0.432 -16.136 475 HD11 ILE 66 HD11 ILE 66 5.374 -3.019 -14.323 476 HD12 ILE 66 HD12 ILE 66 4.878 -2.752 -15.994 477 HD13 ILE 66 HD13 ILE 66 6.469 -2.223 -15.451 478 H CYS 67 H CYS 67 1.092 1.620 -14.778 479 HA CYS 67 HA CYS 67 -1.093 0.069 -13.668 480 HB2 CYS 67 HB2 CYS 67 -0.257 2.150 -12.152 481 HB3 CYS 67 HB3 CYS 67 -1.404 2.975 -13.203 482 H ALA 68 H ALA 68 -3.245 1.010 -14.429 483 HA ALA 68 HA ALA 68 -3.016 1.504 -17.269 484 HB1 ALA 68 HB1 ALA 68 -5.003 0.422 -15.487 485 HB2 ALA 68 HB2 ALA 68 -5.714 1.626 -16.564 486 HB3 ALA 68 HB3 ALA 68 -4.846 0.244 -17.236 487 H VAL 69 H VAL 69 -3.644 3.325 -18.365 488 HA VAL 69 HA VAL 69 -3.615 5.787 -16.889 489 HB VAL 69 HB VAL 69 -4.178 5.450 -19.834 490 HG11 VAL 69 HG11 VAL 69 -2.993 7.726 -19.830 491 HG12 VAL 69 HG12 VAL 69 -4.652 7.657 -19.232 492 HG13 VAL 69 HG13 VAL 69 -3.306 7.734 -18.096 493 HG21 VAL 69 HG21 VAL 69 -2.129 4.595 -20.026 494 HG22 VAL 69 HG22 VAL 69 -1.522 6.182 -19.558 495 HG23 VAL 69 HG23 VAL 69 -1.749 4.931 -18.336 496 H GLU 70 H GLU 70 -5.996 4.080 -18.898 497 HA GLU 70 HA GLU 70 -8.050 6.025 -18.372 498 HB2 GLU 70 HB2 GLU 70 -9.523 4.384 -19.558 499 HB3 GLU 70 HB3 GLU 70 -8.122 4.904 -20.485 500 HG2 GLU 70 HG2 GLU 70 -7.630 2.778 -20.825 501 HG3 GLU 70 HG3 GLU 70 -7.292 2.626 -19.102 502 H SER 71 H SER 71 -7.129 2.873 -17.134 503 HA SER 71 HA SER 71 -9.498 2.627 -15.498 504 HB2 SER 71 HB2 SER 71 -7.959 0.745 -16.560 505 HB3 SER 71 HB3 SER 71 -7.081 0.931 -15.042 506 HG SER 71 HG SER 71 -9.419 -0.319 -15.511 507 H SER 72 H SER 72 -9.362 4.537 -14.242 508 HA SER 72 HA SER 72 -7.147 5.265 -12.674 509 HB2 SER 72 HB2 SER 72 -10.041 5.961 -12.717 510 HB3 SER 72 HB3 SER 72 -9.139 6.347 -11.252 511 HG SER 72 HG SER 72 -7.674 7.517 -12.558 512 H MET 73 H MET 73 -9.818 3.067 -12.094 513 HA MET 73 HA MET 73 -9.674 2.718 -9.362 514 HB2 MET 73 HB2 MET 73 -10.504 0.404 -9.785 515 HB3 MET 73 HB3 MET 73 -11.406 1.648 -10.638 516 HG2 MET 73 HG2 MET 73 -9.993 1.139 -12.651 517 HG3 MET 73 HG3 MET 73 -9.376 -0.254 -11.767 518 HE1 MET 73 HE1 MET 73 -10.820 -1.905 -10.639 519 HE2 MET 73 HE2 MET 73 -12.287 -2.582 -11.346 520 HE3 MET 73 HE3 MET 73 -10.746 -2.746 -12.188 521 H CYS 74 H CYS 74 -7.595 1.394 -11.873 522 HA CYS 74 HA CYS 74 -6.220 -0.543 -10.469 523 HB2 CYS 74 HB2 CYS 74 -5.861 -0.229 -12.838 524 HB3 CYS 74 HB3 CYS 74 -5.198 1.378 -12.567 Start of MODEL 20 1 H1 SER 1 H SER 1 3.479 0.285 0.212 2 HA SER 1 HA SER 1 1.437 0.852 -1.745 3 HB2 SER 1 HB2 SER 1 3.157 1.157 -3.588 4 HB3 SER 1 HB3 SER 1 2.980 2.517 -2.481 5 HG SER 1 HG SER 1 5.133 2.193 -2.614 6 H ASN 2 H ASN 2 0.719 -1.142 -2.094 7 HA ASN 2 HA ASN 2 2.314 -3.474 -1.791 8 HB2 ASN 2 HB2 ASN 2 -0.424 -3.064 -3.007 9 HB3 ASN 2 HB3 ASN 2 0.312 -4.644 -2.759 10 HD21 ASN 2 HD21 ASN 2 -1.607 -5.017 -1.461 11 HD22 ASN 2 HD22 ASN 2 -1.619 -4.504 0.189 12 H ARG 3 H ARG 3 2.567 -5.130 -3.515 13 HA ARG 3 HA ARG 3 4.094 -4.179 -5.634 14 HB2 ARG 3 HB2 ARG 3 3.944 -6.463 -6.551 15 HB3 ARG 3 HB3 ARG 3 4.288 -6.463 -4.827 16 HG2 ARG 3 HG2 ARG 3 1.658 -6.671 -4.667 17 HG3 ARG 3 HG3 ARG 3 1.863 -7.354 -6.282 18 HD2 ARG 3 HD2 ARG 3 3.143 -9.129 -5.505 19 HD3 ARG 3 HD3 ARG 3 3.569 -8.294 -4.012 20 HE ARG 3 HE ARG 3 1.275 -9.931 -4.470 21 HH11 ARG 3 HH11 ARG 3 2.471 -7.201 -2.669 22 HH12 ARG 3 HH12 ARG 3 1.348 -7.403 -1.366 23 HH21 ARG 3 HH21 ARG 3 -0.209 -10.206 -2.759 24 HH22 ARG 3 HH22 ARG 3 -0.176 -9.113 -1.417 25 H TRP 4 H TRP 4 0.670 -4.985 -5.489 26 HA TRP 4 HA TRP 4 0.054 -4.952 -8.199 27 HB2 TRP 4 HB2 TRP 4 -1.721 -3.878 -6.001 28 HB3 TRP 4 HB3 TRP 4 -2.228 -4.549 -7.548 29 HD1 TRP 4 HD1 TRP 4 -2.174 -5.511 -4.099 30 HE1 TRP 4 HE1 TRP 4 -2.130 -8.067 -3.798 31 HE3 TRP 4 HE3 TRP 4 -0.812 -6.863 -8.837 32 HZ2 TRP 4 HZ2 TRP 4 -1.587 -10.354 -5.362 33 HZ3 TRP 4 HZ3 TRP 4 -0.551 -9.255 -9.353 34 HH2 TRP 4 HH2 TRP 4 -0.931 -10.963 -7.649 35 H ASN 5 H ASN 5 0.474 -2.287 -5.939 36 HA ASN 5 HA ASN 5 -0.553 -0.218 -7.517 37 HB2 ASN 5 HB2 ASN 5 1.685 -0.139 -5.482 38 HB3 ASN 5 HB3 ASN 5 0.859 1.276 -6.128 39 HD21 ASN 5 HD21 ASN 5 -0.856 1.992 -5.078 40 HD22 ASN 5 HD22 ASN 5 -1.738 1.120 -3.874 41 H LEU 6 H LEU 6 2.592 -1.779 -7.499 42 HA LEU 6 HA LEU 6 3.638 0.082 -9.482 43 HB2 LEU 6 HB2 LEU 6 4.900 -2.337 -8.198 44 HB3 LEU 6 HB3 LEU 6 5.718 -1.199 -9.266 45 HG LEU 6 HG LEU 6 6.419 -0.576 -7.137 46 HD11 LEU 6 HD11 LEU 6 4.007 1.171 -7.574 47 HD12 LEU 6 HD12 LEU 6 5.496 1.296 -8.508 48 HD13 LEU 6 HD13 LEU 6 5.519 1.601 -6.772 49 HD21 LEU 6 HD21 LEU 6 3.753 -0.333 -5.894 50 HD22 LEU 6 HD22 LEU 6 5.288 -0.856 -5.201 51 HD23 LEU 6 HD23 LEU 6 4.336 -1.972 -6.180 52 H GLY 7 H GLY 7 1.478 -2.169 -9.799 53 HA2 GLY 7 HA2 GLY 7 0.810 -3.601 -11.463 54 HA3 GLY 7 HA3 GLY 7 1.839 -2.636 -12.512 55 H TYR 8 H TYR 8 3.031 -4.465 -9.770 56 HA TYR 8 HA TYR 8 5.054 -5.723 -11.256 57 HB2 TYR 8 HB2 TYR 8 5.339 -5.450 -8.893 58 HB3 TYR 8 HB3 TYR 8 3.872 -6.361 -8.549 59 HD1 TYR 8 HD1 TYR 8 6.916 -6.997 -10.635 60 HD2 TYR 8 HD2 TYR 8 4.341 -8.375 -7.540 61 HE1 TYR 8 HE1 TYR 8 8.245 -9.058 -10.454 62 HE2 TYR 8 HE2 TYR 8 5.665 -10.439 -7.351 63 HH TYR 8 HH TYR 8 7.207 -11.752 -8.524 64 H GLY 9 H GLY 9 1.873 -6.861 -10.193 65 HA2 GLY 9 HA2 GLY 9 2.104 -9.536 -10.974 66 HA3 GLY 9 HA3 GLY 9 0.595 -8.641 -10.875 67 H ILE 10 H ILE 10 1.089 -6.707 -12.847 68 HA ILE 10 HA ILE 10 0.178 -7.945 -15.140 69 HB ILE 10 HB ILE 10 1.799 -5.399 -15.019 70 HG12 ILE 10 HG12 ILE 10 -1.190 -5.840 -14.841 71 HG13 ILE 10 HG13 ILE 10 -0.143 -5.348 -13.515 72 HG21 ILE 10 HG21 ILE 10 0.728 -4.817 -17.105 73 HG22 ILE 10 HG22 ILE 10 1.563 -6.359 -17.279 74 HG23 ILE 10 HG23 ILE 10 -0.190 -6.322 -17.088 75 HD11 ILE 10 HD11 ILE 10 0.443 -3.339 -15.002 76 HD12 ILE 10 HD12 ILE 10 -1.001 -3.786 -15.912 77 HD13 ILE 10 HD13 ILE 10 -1.129 -3.371 -14.203 78 HA PRO 11 HA PRO 11 3.740 -10.024 -16.736 79 HB2 PRO 11 HB2 PRO 11 2.756 -10.550 -19.210 80 HB3 PRO 11 HB3 PRO 11 2.251 -11.437 -17.768 81 HG2 PRO 11 HG2 PRO 11 0.884 -9.178 -19.178 82 HG3 PRO 11 HG3 PRO 11 0.187 -10.668 -18.513 83 HD2 PRO 11 HD2 PRO 11 0.057 -8.294 -17.217 84 HD3 PRO 11 HD3 PRO 11 0.164 -9.845 -16.359 85 H HIS 12 H HIS 12 5.534 -8.980 -17.309 86 HA HIS 12 HA HIS 12 5.365 -6.959 -19.448 87 HB2 HIS 12 HB2 HIS 12 7.529 -7.038 -17.355 88 HB3 HIS 12 HB3 HIS 12 7.071 -5.700 -18.405 89 HD1 HIS 12 HD1 HIS 12 6.959 -6.425 -15.036 90 HD2 HIS 12 HD2 HIS 12 4.039 -5.180 -17.717 91 HE1 HIS 12 HE1 HIS 12 5.152 -5.389 -13.628 92 H LYS 13 H LYS 13 7.328 -6.719 -20.766 93 HA LYS 13 HA LYS 13 8.675 -9.313 -21.139 94 HB2 LYS 13 HB2 LYS 13 7.598 -7.308 -23.065 95 HB3 LYS 13 HB3 LYS 13 9.036 -8.208 -23.529 96 HG2 LYS 13 HG2 LYS 13 7.898 -10.278 -23.390 97 HG3 LYS 13 HG3 LYS 13 6.509 -9.537 -22.592 98 HD2 LYS 13 HD2 LYS 13 5.757 -9.759 -24.768 99 HD3 LYS 13 HD3 LYS 13 6.365 -8.101 -24.756 100 HE2 LYS 13 HE2 LYS 13 8.267 -8.659 -25.969 101 HE3 LYS 13 HE3 LYS 13 8.151 -10.369 -25.553 102 HZ1 LYS 13 HZ1 LYS 13 7.074 -9.002 -27.787 103 HZ2 LYS 13 HZ2 LYS 13 5.833 -9.756 -26.919 104 HZ3 LYS 13 HZ3 LYS 13 7.141 -10.665 -27.488 105 H GLN 14 H GLN 14 10.684 -9.236 -20.380 106 HA GLN 14 HA GLN 14 12.140 -6.849 -19.959 107 HB2 GLN 14 HB2 GLN 14 12.622 -8.744 -18.582 108 HB3 GLN 14 HB3 GLN 14 12.971 -9.750 -19.982 109 HG2 GLN 14 HG2 GLN 14 14.995 -8.606 -20.417 110 HG3 GLN 14 HG3 GLN 14 14.595 -7.326 -19.274 111 HE21 GLN 14 HE21 GLN 14 15.950 -7.445 -17.635 112 HE22 GLN 14 HE22 GLN 14 16.407 -8.883 -16.796 113 H VAL 15 H VAL 15 13.713 -5.853 -21.129 114 HA VAL 15 HA VAL 15 14.696 -7.073 -23.582 115 HB VAL 15 HB VAL 15 14.190 -4.941 -24.861 116 HG11 VAL 15 HG11 VAL 15 12.996 -7.121 -25.137 117 HG12 VAL 15 HG12 VAL 15 11.767 -6.523 -24.020 118 HG13 VAL 15 HG13 VAL 15 12.036 -5.702 -25.559 119 HG21 VAL 15 HG21 VAL 15 11.981 -4.517 -22.889 120 HG22 VAL 15 HG22 VAL 15 13.555 -3.763 -22.641 121 HG23 VAL 15 HG23 VAL 15 12.628 -3.408 -24.097 122 H LYS 16 H LYS 16 16.552 -6.017 -24.455 123 HA LYS 16 HA LYS 16 18.187 -4.792 -22.430 124 HB2 LYS 16 HB2 LYS 16 18.873 -5.188 -25.343 125 HB3 LYS 16 HB3 LYS 16 19.988 -4.988 -23.997 126 HG2 LYS 16 HG2 LYS 16 18.789 -7.166 -23.124 127 HG3 LYS 16 HG3 LYS 16 18.438 -7.375 -24.842 128 HD2 LYS 16 HD2 LYS 16 20.696 -7.509 -25.409 129 HD3 LYS 16 HD3 LYS 16 21.216 -6.753 -23.902 130 HE2 LYS 16 HE2 LYS 16 21.743 -8.961 -23.515 131 HE3 LYS 16 HE3 LYS 16 20.134 -8.855 -22.803 132 HZ1 LYS 16 HZ1 LYS 16 19.675 -9.497 -25.413 133 HZ2 LYS 16 HZ2 LYS 16 19.621 -10.564 -24.103 134 HZ3 LYS 16 HZ3 LYS 16 21.036 -10.420 -25.017 135 H LEU 17 H LEU 17 18.692 -2.696 -22.191 136 HA LEU 17 HA LEU 17 17.339 -0.768 -23.900 137 HB2 LEU 17 HB2 LEU 17 18.824 -0.542 -21.296 138 HB3 LEU 17 HB3 LEU 17 18.263 0.867 -22.192 139 HG LEU 17 HG LEU 17 16.267 -1.228 -21.511 140 HD11 LEU 17 HD11 LEU 17 17.270 -1.124 -19.397 141 HD12 LEU 17 HD12 LEU 17 15.930 0.019 -19.313 142 HD13 LEU 17 HD13 LEU 17 17.578 0.608 -19.531 143 HD21 LEU 17 HD21 LEU 17 14.779 0.622 -21.427 144 HD22 LEU 17 HD22 LEU 17 15.789 0.838 -22.857 145 HD23 LEU 17 HD23 LEU 17 16.112 1.776 -21.398 146 HA PRO 18 HA PRO 18 20.839 0.518 -26.213 147 HB2 PRO 18 HB2 PRO 18 20.415 3.192 -26.419 148 HB3 PRO 18 HB3 PRO 18 19.449 1.995 -27.291 149 HG2 PRO 18 HG2 PRO 18 18.818 3.456 -24.754 150 HG3 PRO 18 HG3 PRO 18 17.767 3.117 -26.141 151 HD2 PRO 18 HD2 PRO 18 17.685 1.661 -23.859 152 HD3 PRO 18 HD3 PRO 18 17.346 0.957 -25.453 153 H ASN 19 H ASN 19 20.344 1.640 -23.026 154 HA ASN 19 HA ASN 19 22.714 3.265 -22.860 155 HB2 ASN 19 HB2 ASN 19 20.959 2.137 -20.666 156 HB3 ASN 19 HB3 ASN 19 22.211 3.357 -20.451 157 HD21 ASN 19 HD21 ASN 19 19.665 3.857 -19.646 158 HD22 ASN 19 HD22 ASN 19 18.944 5.045 -20.671 159 H GLY 20 H GLY 20 21.978 -0.074 -22.615 160 HA2 GLY 20 HA2 GLY 20 23.850 -1.621 -22.759 161 HA3 GLY 20 HA3 GLY 20 24.721 -0.576 -21.646 162 H GLN 21 H GLN 21 22.142 -0.276 -20.073 163 HA GLN 21 HA GLN 21 22.520 -2.703 -18.486 164 HB2 GLN 21 HB2 GLN 21 20.963 -0.235 -17.716 165 HB3 GLN 21 HB3 GLN 21 21.555 -1.506 -16.653 166 HG2 GLN 21 HG2 GLN 21 23.860 -0.832 -17.162 167 HG3 GLN 21 HG3 GLN 21 23.240 0.468 -18.178 168 HE21 GLN 21 HE21 GLN 21 24.885 0.489 -15.714 169 HE22 GLN 21 HE22 GLN 21 24.042 1.523 -14.616 170 H LEU 22 H LEU 22 20.517 -3.548 -17.364 171 HA LEU 22 HA LEU 22 18.464 -3.973 -19.391 172 HB2 LEU 22 HB2 LEU 22 19.124 -5.345 -16.801 173 HB3 LEU 22 HB3 LEU 22 17.665 -5.709 -17.720 174 HG LEU 22 HG LEU 22 20.510 -6.120 -18.635 175 HD11 LEU 22 HD11 LEU 22 19.594 -7.713 -16.932 176 HD12 LEU 22 HD12 LEU 22 20.060 -8.448 -18.465 177 HD13 LEU 22 HD13 LEU 22 18.357 -8.157 -18.110 178 HD21 LEU 22 HD21 LEU 22 19.460 -7.208 -20.595 179 HD22 LEU 22 HD22 LEU 22 19.156 -5.473 -20.519 180 HD23 LEU 22 HD23 LEU 22 17.892 -6.614 -20.049 181 H CYS 23 H CYS 23 16.192 -3.928 -18.821 182 HA CYS 23 HA CYS 23 15.335 -1.541 -17.737 183 HB2 CYS 23 HB2 CYS 23 13.752 -4.118 -17.794 184 HB3 CYS 23 HB3 CYS 23 13.095 -2.485 -17.732 185 H LYS 24 H LYS 24 13.941 -1.205 -15.811 186 HA LYS 24 HA LYS 24 15.156 -2.515 -13.483 187 HB2 LYS 24 HB2 LYS 24 14.057 0.178 -14.025 188 HB3 LYS 24 HB3 LYS 24 13.742 -0.470 -12.420 189 HG2 LYS 24 HG2 LYS 24 16.476 -0.264 -13.662 190 HG3 LYS 24 HG3 LYS 24 15.781 0.929 -12.563 191 HD2 LYS 24 HD2 LYS 24 15.964 -0.443 -10.740 192 HD3 LYS 24 HD3 LYS 24 15.813 -1.917 -11.699 193 HE2 LYS 24 HE2 LYS 24 18.042 -1.920 -11.011 194 HE3 LYS 24 HE3 LYS 24 18.110 -1.292 -12.657 195 HZ1 LYS 24 HZ1 LYS 24 19.447 -0.077 -10.904 196 HZ2 LYS 24 HZ2 LYS 24 17.974 0.499 -10.307 197 HZ3 LYS 24 HZ3 LYS 24 18.450 0.875 -11.886 198 H GLU 25 H GLU 25 13.838 -3.158 -11.695 199 HA GLU 25 HA GLU 25 11.279 -4.239 -12.560 200 HB2 GLU 25 HB2 GLU 25 12.692 -4.649 -9.921 201 HB3 GLU 25 HB3 GLU 25 11.367 -5.603 -10.571 202 HG2 GLU 25 HG2 GLU 25 13.541 -5.567 -12.435 203 HG3 GLU 25 HG3 GLU 25 14.116 -6.061 -10.843 204 HA PRO 26 HA PRO 26 8.732 -1.331 -10.481 205 HB2 PRO 26 HB2 PRO 26 6.649 -2.903 -9.737 206 HB3 PRO 26 HB3 PRO 26 6.937 -2.422 -11.413 207 HG2 PRO 26 HG2 PRO 26 7.618 -4.991 -10.035 208 HG3 PRO 26 HG3 PRO 26 6.932 -4.735 -11.650 209 HD2 PRO 26 HD2 PRO 26 9.556 -5.271 -11.250 210 HD3 PRO 26 HD3 PRO 26 8.983 -4.246 -12.581 211 H GLY 27 H GLY 27 9.199 -0.458 -8.564 212 HA2 GLY 27 HA2 GLY 27 8.744 -0.414 -6.196 213 HA3 GLY 27 HA3 GLY 27 8.961 -2.158 -6.168 214 H ASP 28 H ASP 28 11.371 -2.072 -7.819 215 HA ASP 28 HA ASP 28 13.252 -1.556 -5.692 216 HB2 ASP 28 HB2 ASP 28 13.438 -2.777 -8.430 217 HB3 ASP 28 HB3 ASP 28 14.900 -2.338 -7.551 218 H SER 29 H SER 29 14.878 -0.039 -5.663 219 HA SER 29 HA SER 29 14.394 2.460 -6.767 220 HB2 SER 29 HB2 SER 29 16.552 3.109 -5.942 221 HB3 SER 29 HB3 SER 29 15.893 1.935 -4.803 222 HG SER 29 HG SER 29 17.316 0.455 -5.470 223 H CYS 30 H CYS 30 15.475 3.663 -8.398 224 HA CYS 30 HA CYS 30 16.779 2.031 -10.471 225 HB2 CYS 30 HB2 CYS 30 15.022 4.350 -11.200 226 HB3 CYS 30 HB3 CYS 30 15.502 2.970 -12.183 227 H SER 31 H SER 31 17.755 3.622 -12.198 228 HA SER 31 HA SER 31 19.343 5.582 -10.687 229 HB2 SER 31 HB2 SER 31 19.946 4.010 -13.194 230 HB3 SER 31 HB3 SER 31 20.945 5.358 -12.651 231 HG SER 31 HG SER 31 21.547 4.223 -10.893 232 H LYS 32 H LYS 32 17.303 5.139 -13.486 233 HA LYS 32 HA LYS 32 16.896 7.986 -13.687 234 HB2 LYS 32 HB2 LYS 32 18.385 6.451 -15.791 235 HB3 LYS 32 HB3 LYS 32 17.387 7.828 -16.243 236 HG2 LYS 32 HG2 LYS 32 18.707 9.148 -14.515 237 HG3 LYS 32 HG3 LYS 32 19.829 7.785 -14.501 238 HD2 LYS 32 HD2 LYS 32 19.906 8.067 -17.046 239 HD3 LYS 32 HD3 LYS 32 19.153 9.638 -16.768 240 HE2 LYS 32 HE2 LYS 32 21.666 8.787 -15.356 241 HE3 LYS 32 HE3 LYS 32 21.697 9.573 -16.933 242 HZ1 LYS 32 HZ1 LYS 32 20.860 10.670 -14.334 243 HZ2 LYS 32 HZ2 LYS 32 20.230 11.325 -15.761 244 HZ3 LYS 32 HZ3 LYS 32 21.900 11.336 -15.489 245 H ARG 33 H ARG 33 15.068 8.545 -14.956 246 HA ARG 33 HA ARG 33 12.928 6.782 -14.826 247 HB2 ARG 33 HB2 ARG 33 12.897 9.323 -15.108 248 HB3 ARG 33 HB3 ARG 33 13.107 9.026 -16.829 249 HG2 ARG 33 HG2 ARG 33 11.026 7.495 -16.550 250 HG3 ARG 33 HG3 ARG 33 10.765 8.433 -15.079 251 HD2 ARG 33 HD2 ARG 33 11.399 10.170 -17.282 252 HD3 ARG 33 HD3 ARG 33 10.046 9.118 -17.699 253 HE ARG 33 HE ARG 33 8.747 10.219 -16.157 254 HH11 ARG 33 HH11 ARG 33 12.087 11.091 -15.705 255 HH12 ARG 33 HH12 ARG 33 11.739 12.366 -14.585 256 HH21 ARG 33 HH21 ARG 33 8.276 11.895 -14.684 257 HH22 ARG 33 HH22 ARG 33 9.570 12.822 -14.004 258 H ASP 34 H ASP 34 15.311 7.234 -17.325 259 HA ASP 34 HA ASP 34 13.896 5.855 -19.382 260 HB2 ASP 34 HB2 ASP 34 15.793 7.491 -19.730 261 HB3 ASP 34 HB3 ASP 34 16.887 6.224 -19.179 262 H GLU 35 H GLU 35 15.806 4.880 -16.683 263 HA GLU 35 HA GLU 35 16.662 2.356 -17.602 264 HB2 GLU 35 HB2 GLU 35 16.071 3.260 -14.779 265 HB3 GLU 35 HB3 GLU 35 16.968 1.812 -15.217 266 HG2 GLU 35 HG2 GLU 35 17.836 4.554 -16.068 267 HG3 GLU 35 HG3 GLU 35 18.317 3.841 -14.529 268 H CYS 36 H CYS 36 13.653 3.489 -16.239 269 HA CYS 36 HA CYS 36 12.592 0.838 -15.829 270 HB2 CYS 36 HB2 CYS 36 11.847 2.584 -14.343 271 HB3 CYS 36 HB3 CYS 36 11.323 3.577 -15.698 272 H CYS 37 H CYS 37 11.877 -0.395 -17.425 273 HA CYS 37 HA CYS 37 11.315 0.683 -20.030 274 HB2 CYS 37 HB2 CYS 37 11.491 -2.031 -18.818 275 HB3 CYS 37 HB3 CYS 37 10.540 -1.861 -20.290 276 H LYS 38 H LYS 38 9.254 -0.520 -21.100 277 HA LYS 38 HA LYS 38 6.964 0.395 -19.501 278 HB2 LYS 38 HB2 LYS 38 6.934 -0.098 -22.469 279 HB3 LYS 38 HB3 LYS 38 5.822 0.874 -21.514 280 HG2 LYS 38 HG2 LYS 38 7.634 2.487 -21.090 281 HG3 LYS 38 HG3 LYS 38 8.700 1.527 -22.118 282 HD2 LYS 38 HD2 LYS 38 6.672 1.833 -23.818 283 HD3 LYS 38 HD3 LYS 38 6.424 3.287 -22.846 284 HE2 LYS 38 HE2 LYS 38 8.913 3.735 -23.214 285 HE3 LYS 38 HE3 LYS 38 8.830 2.499 -24.467 286 HZ1 LYS 38 HZ1 LYS 38 8.173 5.180 -24.697 287 HZ2 LYS 38 HZ2 LYS 38 6.710 4.337 -24.782 288 HZ3 LYS 38 HZ3 LYS 38 7.962 3.968 -25.857 289 H ALA 39 H ALA 39 4.986 -0.820 -19.584 290 HA ALA 39 HA ALA 39 5.419 -3.633 -19.347 291 HB1 ALA 39 HB1 ALA 39 2.822 -2.099 -19.337 292 HB2 ALA 39 HB2 ALA 39 3.061 -3.758 -18.783 293 HB3 ALA 39 HB3 ALA 39 3.828 -2.422 -17.924 294 H ASP 40 H ASP 40 3.894 -5.208 -20.437 295 HA ASP 40 HA ASP 40 4.374 -5.327 -23.154 296 HB2 ASP 40 HB2 ASP 40 2.321 -6.648 -21.403 297 HB3 ASP 40 HB3 ASP 40 2.339 -6.940 -23.140 298 H ASP 41 H ASP 41 1.535 -4.058 -21.469 299 HA ASP 41 HA ASP 41 0.496 -3.084 -24.042 300 HB2 ASP 41 HB2 ASP 41 -0.859 -4.541 -22.270 301 HB3 ASP 41 HB3 ASP 41 -1.147 -2.955 -21.559 302 H GLN 42 H GLN 42 2.551 -1.609 -23.304 303 HA GLN 42 HA GLN 42 2.269 0.419 -21.457 304 HB2 GLN 42 HB2 GLN 42 3.781 1.744 -22.939 305 HB3 GLN 42 HB3 GLN 42 4.353 0.116 -22.607 306 HG2 GLN 42 HG2 GLN 42 4.285 -0.471 -24.756 307 HG3 GLN 42 HG3 GLN 42 2.719 0.298 -25.012 308 HE21 GLN 42 HE21 GLN 42 5.654 0.285 -26.196 309 HE22 GLN 42 HE22 GLN 42 5.862 1.944 -26.629 310 H LYS 43 H LYS 43 0.748 0.057 -24.569 311 HA LYS 43 HA LYS 43 -0.059 2.675 -25.066 312 HB2 LYS 43 HB2 LYS 43 -1.588 0.137 -25.675 313 HB3 LYS 43 HB3 LYS 43 -1.834 1.701 -26.442 314 HG2 LYS 43 HG2 LYS 43 0.020 1.515 -27.741 315 HG3 LYS 43 HG3 LYS 43 0.889 0.538 -26.555 316 HD2 LYS 43 HD2 LYS 43 -0.142 -1.425 -27.227 317 HD3 LYS 43 HD3 LYS 43 -1.517 -0.578 -27.940 318 HE2 LYS 43 HE2 LYS 43 -0.261 -1.370 -29.764 319 HE3 LYS 43 HE3 LYS 43 0.129 0.346 -29.640 320 HZ1 LYS 43 HZ1 LYS 43 2.065 -1.174 -29.992 321 HZ2 LYS 43 HZ2 LYS 43 1.804 -1.784 -28.436 322 HZ3 LYS 43 HZ3 LYS 43 2.201 -0.152 -28.649 323 H THR 44 H THR 44 -1.324 0.291 -22.852 324 HA THR 44 HA THR 44 -3.512 2.115 -22.117 325 HB THR 44 HB THR 44 -4.272 0.034 -20.758 326 HG1 THR 44 HG1 THR 44 -2.250 -1.104 -21.217 327 HG21 THR 44 HG21 THR 44 -4.578 0.740 -23.575 328 HG22 THR 44 HG22 THR 44 -5.799 0.308 -22.378 329 HG23 THR 44 HG23 THR 44 -4.922 -0.956 -23.240 330 H TYR 45 H TYR 45 -0.808 0.261 -20.811 331 HA TYR 45 HA TYR 45 -1.196 1.510 -18.190 332 HB2 TYR 45 HB2 TYR 45 0.873 -0.570 -18.879 333 HB3 TYR 45 HB3 TYR 45 0.231 -0.157 -17.293 334 HD1 TYR 45 HD1 TYR 45 -2.698 -0.121 -17.994 335 HD2 TYR 45 HD2 TYR 45 0.393 -2.873 -18.976 336 HE1 TYR 45 HE1 TYR 45 -4.369 -1.913 -18.202 337 HE2 TYR 45 HE2 TYR 45 -1.269 -4.674 -19.188 338 HH TYR 45 HH TYR 45 -3.404 -5.252 -18.907 339 H SER 46 H SER 46 0.195 2.960 -17.334 340 HA SER 46 HA SER 46 2.324 3.939 -19.100 341 HB2 SER 46 HB2 SER 46 1.097 5.817 -18.631 342 HB3 SER 46 HB3 SER 46 0.556 5.204 -17.069 343 HG SER 46 HG SER 46 2.958 6.495 -17.745 344 H SER 47 H SER 47 4.383 3.594 -18.612 345 HA SER 47 HA SER 47 5.036 2.633 -15.911 346 HB2 SER 47 HB2 SER 47 6.830 1.420 -16.833 347 HB3 SER 47 HB3 SER 47 5.536 1.229 -18.017 348 HG SER 47 HG SER 47 6.509 2.806 -19.284 349 H GLY 48 H GLY 48 7.031 3.337 -14.926 350 HA2 GLY 48 HA2 GLY 48 8.748 5.296 -15.841 351 HA3 GLY 48 HA3 GLY 48 7.392 6.160 -15.133 352 H CYS 49 H CYS 49 10.073 6.267 -14.204 353 HA CYS 49 HA CYS 49 9.738 5.046 -11.544 354 HB2 CYS 49 HB2 CYS 49 11.593 4.094 -13.086 355 HB3 CYS 49 HB3 CYS 49 12.442 5.597 -12.737 356 H ALA 50 H ALA 50 9.163 6.674 -10.250 357 HA ALA 50 HA ALA 50 10.810 9.114 -10.301 358 HB1 ALA 50 HB1 ALA 50 8.646 10.270 -9.494 359 HB2 ALA 50 HB2 ALA 50 8.828 9.906 -11.210 360 HB3 ALA 50 HB3 ALA 50 7.829 8.870 -10.191 361 H GLN 51 H GLN 51 11.031 10.204 -8.273 362 HA GLN 51 HA GLN 51 11.524 8.518 -6.102 363 HB2 GLN 51 HB2 GLN 51 11.984 10.500 -4.835 364 HB3 GLN 51 HB3 GLN 51 12.553 10.766 -6.478 365 HG2 GLN 51 HG2 GLN 51 10.288 11.902 -6.865 366 HG3 GLN 51 HG3 GLN 51 10.162 11.932 -5.107 367 HE21 GLN 51 HE21 GLN 51 10.344 14.079 -4.771 368 HE22 GLN 51 HE22 GLN 51 11.742 15.012 -5.170 369 H THR 52 H THR 52 10.416 8.020 -4.253 370 HA THR 52 HA THR 52 7.797 9.189 -3.770 371 HB THR 52 HB THR 52 6.673 6.998 -3.618 372 HG1 THR 52 HG1 THR 52 9.164 6.068 -4.634 373 HG21 THR 52 HG21 THR 52 7.922 7.563 -6.311 374 HG22 THR 52 HG22 THR 52 6.448 8.291 -5.672 375 HG23 THR 52 HG23 THR 52 6.494 6.566 -6.035 376 H TRP 53 H TRP 53 7.520 9.488 -1.659 377 HA TRP 53 HA TRP 53 9.408 8.915 0.268 378 HB2 TRP 53 HB2 TRP 53 7.721 10.574 0.686 379 HB3 TRP 53 HB3 TRP 53 6.436 9.377 0.561 380 HD1 TRP 53 HD1 TRP 53 5.858 7.981 2.706 381 HE1 TRP 53 HE1 TRP 53 6.632 8.095 5.158 382 HE3 TRP 53 HE3 TRP 53 9.854 11.119 2.150 383 HZ2 TRP 53 HZ2 TRP 53 8.667 9.350 6.658 384 HZ3 TRP 53 HZ3 TRP 53 11.163 11.727 4.143 385 HH2 TRP 53 HH2 TRP 53 10.579 10.860 6.350 386 H SER 54 H SER 54 10.144 6.984 0.850 387 HA SER 54 HA SER 54 8.259 4.735 1.020 388 HB2 SER 54 HB2 SER 54 10.097 4.257 -0.456 389 HB3 SER 54 HB3 SER 54 11.271 4.802 0.741 390 HG SER 54 HG SER 54 9.556 2.551 0.976 391 H ALA 55 H ALA 55 7.570 4.197 2.971 392 HA ALA 55 HA ALA 55 8.767 5.239 5.352 393 HB1 ALA 55 HB1 ALA 55 6.557 3.220 4.987 394 HB2 ALA 55 HB2 ALA 55 7.017 3.962 6.521 395 HB3 ALA 55 HB3 ALA 55 6.367 4.959 5.218 396 H MET 56 H MET 56 8.760 2.133 3.703 397 HA MET 56 HA MET 56 9.957 0.646 5.801 398 HB2 MET 56 HB2 MET 56 9.686 0.200 2.838 399 HB3 MET 56 HB3 MET 56 10.572 -0.924 3.858 400 HG2 MET 56 HG2 MET 56 7.779 -0.148 4.566 401 HG3 MET 56 HG3 MET 56 8.077 -1.357 3.319 402 HE1 MET 56 HE1 MET 56 8.366 -4.243 4.404 403 HE2 MET 56 HE2 MET 56 7.104 -3.909 5.590 404 HE3 MET 56 HE3 MET 56 7.076 -3.101 4.022 405 H GLU 57 H GLU 57 11.300 2.104 2.841 406 HA GLU 57 HA GLU 57 13.991 1.428 3.486 407 HB2 GLU 57 HB2 GLU 57 13.052 3.585 1.592 408 HB3 GLU 57 HB3 GLU 57 14.608 2.768 1.583 409 HG2 GLU 57 HG2 GLU 57 12.001 1.348 1.127 410 HG3 GLU 57 HG3 GLU 57 12.977 2.030 -0.172 411 H GLY 58 H GLY 58 11.932 4.199 4.086 412 HA2 GLY 58 HA2 GLY 58 12.199 5.880 5.653 413 HA3 GLY 58 HA3 GLY 58 13.742 5.167 6.100 414 H GLY 59 H GLY 59 12.878 6.117 2.829 415 HA2 GLY 59 HA2 GLY 59 14.059 8.689 2.890 416 HA3 GLY 59 HA3 GLY 59 15.242 7.508 2.347 417 H PHE 60 H PHE 60 13.919 9.770 0.942 418 HA PHE 60 HA PHE 60 12.013 8.887 -0.894 419 HB2 PHE 60 HB2 PHE 60 14.069 11.074 -0.949 420 HB3 PHE 60 HB3 PHE 60 13.078 10.751 -2.367 421 HD1 PHE 60 HD1 PHE 60 13.245 12.335 0.834 422 HD2 PHE 60 HD2 PHE 60 10.564 10.861 -2.125 423 HE1 PHE 60 HE1 PHE 60 11.441 13.707 1.790 424 HE2 PHE 60 HE2 PHE 60 8.755 12.232 -1.173 425 HZ PHE 60 HZ PHE 60 9.192 13.658 0.787 426 H VAL 61 H VAL 61 12.125 7.380 -2.409 427 HA VAL 61 HA VAL 61 14.633 7.010 -3.883 428 HB VAL 61 HB VAL 61 14.210 4.512 -3.830 429 HG11 VAL 61 HG11 VAL 61 14.879 4.713 -1.134 430 HG12 VAL 61 HG12 VAL 61 15.989 4.705 -2.505 431 HG13 VAL 61 HG13 VAL 61 15.409 6.236 -1.846 432 HG21 VAL 61 HG21 VAL 61 11.852 5.157 -2.677 433 HG22 VAL 61 HG22 VAL 61 12.622 3.577 -2.532 434 HG23 VAL 61 HG23 VAL 61 12.815 4.774 -1.250 435 H ARG 62 H ARG 62 14.391 6.515 -6.018 436 HA ARG 62 HA ARG 62 11.727 6.819 -7.115 437 HB2 ARG 62 HB2 ARG 62 14.309 6.389 -8.618 438 HB3 ARG 62 HB3 ARG 62 12.805 7.046 -9.246 439 HG2 ARG 62 HG2 ARG 62 13.263 8.823 -7.304 440 HG3 ARG 62 HG3 ARG 62 14.924 8.341 -7.653 441 HD2 ARG 62 HD2 ARG 62 13.087 9.011 -9.906 442 HD3 ARG 62 HD3 ARG 62 13.801 10.316 -8.959 443 HE ARG 62 HE ARG 62 15.753 8.426 -9.826 444 HH11 ARG 62 HH11 ARG 62 13.854 11.162 -10.837 445 HH12 ARG 62 HH12 ARG 62 14.980 11.659 -12.057 446 HH21 ARG 62 HH21 ARG 62 17.245 9.069 -11.428 447 HH22 ARG 62 HH22 ARG 62 16.908 10.467 -12.393 448 H GLU 63 H GLU 63 10.459 5.090 -7.251 449 HA GLU 63 HA GLU 63 11.677 2.519 -8.024 450 HB2 GLU 63 HB2 GLU 63 9.613 1.513 -6.923 451 HB3 GLU 63 HB3 GLU 63 10.808 2.228 -5.849 452 HG2 GLU 63 HG2 GLU 63 9.444 4.259 -5.699 453 HG3 GLU 63 HG3 GLU 63 8.237 3.511 -6.742 454 H CYS 64 H CYS 64 10.861 1.429 -9.737 455 HA CYS 64 HA CYS 64 9.316 2.825 -11.645 456 HB2 CYS 64 HB2 CYS 64 10.976 1.089 -12.232 457 HB3 CYS 64 HB3 CYS 64 9.933 -0.134 -11.515 458 H TYR 65 H TYR 65 7.190 2.772 -12.151 459 HA TYR 65 HA TYR 65 5.456 0.945 -10.634 460 HB2 TYR 65 HB2 TYR 65 3.800 2.847 -10.474 461 HB3 TYR 65 HB3 TYR 65 5.244 3.023 -9.482 462 HD1 TYR 65 HD1 TYR 65 3.646 4.130 -12.639 463 HD2 TYR 65 HD2 TYR 65 6.685 4.874 -9.754 464 HE1 TYR 65 HE1 TYR 65 4.077 6.325 -13.665 465 HE2 TYR 65 HE2 TYR 65 7.121 7.070 -10.772 466 HH TYR 65 HH TYR 65 6.025 8.706 -12.161 467 H ILE 66 H ILE 66 3.539 0.319 -11.660 468 HA ILE 66 HA ILE 66 3.180 1.185 -14.440 469 HB ILE 66 HB ILE 66 3.265 -1.700 -13.550 470 HG12 ILE 66 HG12 ILE 66 5.020 -0.236 -15.531 471 HG13 ILE 66 HG13 ILE 66 5.475 -0.563 -13.861 472 HG21 ILE 66 HG21 ILE 66 1.517 -1.404 -15.177 473 HG22 ILE 66 HG22 ILE 66 2.595 -0.483 -16.223 474 HG23 ILE 66 HG23 ILE 66 2.889 -2.200 -15.948 475 HD11 ILE 66 HD11 ILE 66 5.386 -2.941 -14.271 476 HD12 ILE 66 HD12 ILE 66 4.836 -2.657 -15.924 477 HD13 ILE 66 HD13 ILE 66 6.455 -2.158 -15.436 478 H CYS 67 H CYS 67 1.202 2.014 -14.507 479 HA CYS 67 HA CYS 67 -1.008 0.462 -13.364 480 HB2 CYS 67 HB2 CYS 67 -0.064 2.848 -12.241 481 HB3 CYS 67 HB3 CYS 67 -1.508 3.307 -13.140 482 H ALA 68 H ALA 68 -3.159 1.283 -14.185 483 HA ALA 68 HA ALA 68 -2.952 1.628 -17.059 484 HB1 ALA 68 HB1 ALA 68 -5.626 1.561 -16.526 485 HB2 ALA 68 HB2 ALA 68 -4.620 0.148 -16.848 486 HB3 ALA 68 HB3 ALA 68 -4.965 0.625 -15.185 487 H VAL 69 H VAL 69 -3.670 3.362 -18.225 488 HA VAL 69 HA VAL 69 -3.854 5.871 -16.827 489 HB VAL 69 HB VAL 69 -4.284 5.427 -19.777 490 HG11 VAL 69 HG11 VAL 69 -3.441 7.729 -19.948 491 HG12 VAL 69 HG12 VAL 69 -4.901 7.630 -18.960 492 HG13 VAL 69 HG13 VAL 69 -3.323 7.804 -18.190 493 HG21 VAL 69 HG21 VAL 69 -1.857 5.143 -18.174 494 HG22 VAL 69 HG22 VAL 69 -2.200 4.601 -19.817 495 HG23 VAL 69 HG23 VAL 69 -1.692 6.264 -19.524 496 H GLU 70 H GLU 70 -6.029 3.875 -18.789 497 HA GLU 70 HA GLU 70 -8.236 5.704 -18.438 498 HB2 GLU 70 HB2 GLU 70 -9.537 3.939 -19.634 499 HB3 GLU 70 HB3 GLU 70 -8.128 4.507 -20.517 500 HG2 GLU 70 HG2 GLU 70 -6.893 2.536 -19.932 501 HG3 GLU 70 HG3 GLU 70 -8.190 1.991 -18.869 502 H SER 71 H SER 71 -7.135 2.667 -17.064 503 HA SER 71 HA SER 71 -9.536 2.212 -15.556 504 HB2 SER 71 HB2 SER 71 -7.623 0.539 -16.361 505 HB3 SER 71 HB3 SER 71 -6.965 0.924 -14.770 506 HG SER 71 HG SER 71 -8.737 0.071 -13.818 507 H SER 72 H SER 72 -10.071 3.062 -13.659 508 HA SER 72 HA SER 72 -8.111 4.706 -12.252 509 HB2 SER 72 HB2 SER 72 -11.082 4.596 -12.371 510 HB3 SER 72 HB3 SER 72 -10.356 5.159 -10.867 511 HG SER 72 HG SER 72 -10.628 6.930 -12.174 512 H MET 73 H MET 73 -10.086 1.843 -11.819 513 HA MET 73 HA MET 73 -9.930 1.454 -9.095 514 HB2 MET 73 HB2 MET 73 -9.994 -0.450 -11.412 515 HB3 MET 73 HB3 MET 73 -9.848 -1.061 -9.770 516 HG2 MET 73 HG2 MET 73 -11.924 0.149 -9.184 517 HG3 MET 73 HG3 MET 73 -12.086 0.616 -10.874 518 HE1 MET 73 HE1 MET 73 -14.413 -0.802 -9.365 519 HE2 MET 73 HE2 MET 73 -14.436 -2.566 -9.384 520 HE3 MET 73 HE3 MET 73 -13.336 -1.708 -8.302 521 H CYS 74 H CYS 74 -7.484 0.868 -11.551 522 HA CYS 74 HA CYS 74 -5.665 -0.663 -10.148 523 HB2 CYS 74 HB2 CYS 74 -5.411 -0.091 -12.524 524 HB3 CYS 74 HB3 CYS 74 -5.068 1.581 -12.089
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