NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
572085 | 2miq | 19682 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 H1 SER 1 15.417 44.477 -70.680 2 H2 SER 1 H2 SER 1 13.774 44.658 -70.335 3 H3 SER 1 H3 SER 1 14.258 43.991 -71.810 4 HA SER 1 HA SER 1 15.172 42.087 -70.732 5 HB2 SER 1 HB2 SER 1 14.157 43.361 -68.151 6 HB3 SER 1 HB3 SER 1 14.936 41.783 -68.293 7 HG SER 1 HG SER 1 16.304 43.590 -67.630 8 H HIS 2 H HIS 2 13.683 40.900 -71.844 9 HA HIS 2 HA HIS 2 10.847 40.889 -70.953 10 HB2 HIS 2 HB2 HIS 2 11.304 41.669 -73.332 11 HB3 HIS 2 HB3 HIS 2 11.936 40.068 -73.690 12 HD2 HIS 2 HD2 HIS 2 9.980 38.040 -73.959 13 HE1 HIS 2 HE1 HIS 2 6.707 40.711 -73.854 14 HE2 HIS 2 HE2 HIS 2 7.415 38.308 -74.181 15 H MET 3 H MET 3 11.690 39.471 -69.249 16 HA MET 3 HA MET 3 12.255 36.680 -70.081 17 HB2 MET 3 HB2 MET 3 13.173 36.357 -67.788 18 HB3 MET 3 HB3 MET 3 14.023 37.608 -68.681 19 HG2 MET 3 HG2 MET 3 11.894 38.195 -66.606 20 HG3 MET 3 HG3 MET 3 13.624 38.124 -66.255 21 HE1 MET 3 HE1 MET 3 12.994 41.973 -66.098 22 HE2 MET 3 HE2 MET 3 13.672 40.572 -65.272 23 HE3 MET 3 HE3 MET 3 11.929 40.690 -65.517 24 H SER 4 H SER 4 9.606 37.981 -70.002 25 HA SER 4 HA SER 4 8.158 36.672 -67.832 26 HB2 SER 4 HB2 SER 4 6.168 37.814 -68.963 27 HB3 SER 4 HB3 SER 4 7.419 38.909 -68.372 28 HG SER 4 HG SER 4 6.979 38.052 -71.040 29 H GLY 5 H GLY 5 8.898 34.529 -68.573 30 HA2 GLY 5 HA2 GLY 5 8.086 33.325 -71.024 31 HA3 GLY 5 HA3 GLY 5 8.565 32.482 -69.558 32 H GLY 6 H GLY 6 6.624 33.413 -67.783 33 HA2 GLY 6 HA2 GLY 6 4.408 33.362 -67.149 34 HA3 GLY 6 HA3 GLY 6 3.947 33.195 -68.835 35 H SER 7 H SER 7 5.116 31.425 -65.994 36 HA SER 7 HA SER 7 3.681 29.008 -66.917 37 HB2 SER 7 HB2 SER 7 6.475 29.045 -65.678 38 HB3 SER 7 HB3 SER 7 5.543 27.592 -66.046 39 HG SER 7 HG SER 7 5.588 28.982 -68.264 40 HA PRO 8 HA PRO 8 2.317 29.950 -62.557 41 HB2 PRO 8 HB2 PRO 8 -0.329 29.306 -62.949 42 HB3 PRO 8 HB3 PRO 8 0.319 30.918 -63.324 43 HG2 PRO 8 HG2 PRO 8 -0.226 28.630 -65.199 44 HG3 PRO 8 HG3 PRO 8 -0.577 30.362 -65.408 45 HD2 PRO 8 HD2 PRO 8 1.602 29.171 -66.546 46 HD3 PRO 8 HD3 PRO 8 1.608 30.872 -66.036 47 H LEU 9 H LEU 9 2.106 28.380 -60.978 48 HA LEU 9 HA LEU 9 2.113 25.535 -61.786 49 HB2 LEU 9 HB2 LEU 9 2.913 26.879 -59.173 50 HB3 LEU 9 HB3 LEU 9 2.947 25.144 -59.445 51 HG LEU 9 HG LEU 9 4.690 27.221 -60.829 52 HD11 LEU 9 HD11 LEU 9 6.546 26.158 -59.637 53 HD12 LEU 9 HD12 LEU 9 5.421 25.062 -58.829 54 HD13 LEU 9 HD13 LEU 9 5.348 26.798 -58.515 55 HD21 LEU 9 HD21 LEU 9 4.171 25.428 -62.416 56 HD22 LEU 9 HD22 LEU 9 4.659 24.205 -61.239 57 HD23 LEU 9 HD23 LEU 9 5.852 25.326 -61.904 58 H ALA 10 H ALA 10 -0.283 26.443 -62.164 59 HA ALA 10 HA ALA 10 -2.032 26.565 -59.902 60 HB1 ALA 10 HB1 ALA 10 -3.854 26.551 -61.561 61 HB2 ALA 10 HB2 ALA 10 -2.702 26.146 -62.835 62 HB3 ALA 10 HB3 ALA 10 -2.591 27.701 -62.012 63 H THR 11 H THR 11 -1.547 24.714 -58.740 64 HA THR 11 HA THR 11 -2.759 22.187 -59.681 65 HB THR 11 HB THR 11 -0.148 22.482 -58.114 66 HG1 THR 11 HG1 THR 11 -0.688 22.354 -60.737 67 HG21 THR 11 HG21 THR 11 0.013 20.014 -58.226 68 HG22 THR 11 HG22 THR 11 -1.584 19.937 -58.966 69 HG23 THR 11 HG23 THR 11 -1.409 20.511 -57.306 70 H GLY 12 H GLY 12 -4.609 22.268 -58.518 71 HA2 GLY 12 HA2 GLY 12 -4.628 23.022 -55.673 72 HA3 GLY 12 HA3 GLY 12 -6.025 22.729 -56.700 73 H THR 13 H THR 13 -5.984 21.662 -54.237 74 HA THR 13 HA THR 13 -6.456 18.892 -54.850 75 HB THR 13 HB THR 13 -4.034 18.764 -54.240 76 HG1 THR 13 HG1 THR 13 -5.380 17.002 -53.724 77 HG21 THR 13 HG21 THR 13 -4.869 19.757 -51.488 78 HG22 THR 13 HG22 THR 13 -3.889 20.667 -52.638 79 HG23 THR 13 HG23 THR 13 -3.263 19.172 -51.942 80 H THR 14 H THR 14 -8.080 18.071 -53.508 81 HA THR 14 HA THR 14 -9.469 19.990 -51.832 82 HB THR 14 HB THR 14 -10.155 17.085 -52.456 83 HG1 THR 14 HG1 THR 14 -10.084 18.953 -54.137 84 HG21 THR 14 HG21 THR 14 -12.457 17.679 -51.746 85 HG22 THR 14 HG22 THR 14 -11.897 19.280 -51.266 86 HG23 THR 14 HG23 THR 14 -11.318 17.852 -50.405 87 H ALA 15 H ALA 15 -8.026 20.330 -50.132 88 HA ALA 15 HA ALA 15 -7.342 18.151 -48.289 89 HB1 ALA 15 HB1 ALA 15 -5.588 19.797 -48.829 90 HB2 ALA 15 HB2 ALA 15 -6.000 19.872 -47.114 91 HB3 ALA 15 HB3 ALA 15 -6.607 21.104 -48.225 92 H ASN 16 H ASN 16 -9.226 17.580 -47.293 93 HA ASN 16 HA ASN 16 -10.629 19.591 -45.636 94 HB2 ASN 16 HB2 ASN 16 -11.986 19.146 -47.689 95 HB3 ASN 16 HB3 ASN 16 -11.983 17.426 -47.316 96 HD21 ASN 16 HD21 ASN 16 -13.268 20.543 -46.451 97 HD22 ASN 16 HD22 ASN 16 -14.515 19.968 -45.405 98 H THR 17 H THR 17 -10.619 18.968 -43.577 99 HA THR 17 HA THR 17 -10.790 16.113 -42.820 100 HB THR 17 HB THR 17 -9.267 16.700 -40.824 101 HG1 THR 17 HG1 THR 17 -8.648 18.947 -42.482 102 HG21 THR 17 HG21 THR 17 -7.155 16.433 -42.071 103 HG22 THR 17 HG22 THR 17 -7.977 16.852 -43.575 104 HG23 THR 17 HG23 THR 17 -8.403 15.365 -42.724 105 H ARG 18 H ARG 18 -12.807 16.022 -42.031 106 HA ARG 18 HA ARG 18 -14.105 18.185 -40.615 107 HB2 ARG 18 HB2 ARG 18 -14.989 15.314 -41.154 108 HB3 ARG 18 HB3 ARG 18 -16.000 16.541 -40.392 109 HG2 ARG 18 HG2 ARG 18 -15.892 17.909 -42.454 110 HG3 ARG 18 HG3 ARG 18 -14.891 16.674 -43.224 111 HD2 ARG 18 HD2 ARG 18 -16.728 15.064 -43.095 112 HD3 ARG 18 HD3 ARG 18 -17.719 16.227 -42.206 113 HE ARG 18 HE ARG 18 -16.827 17.185 -44.770 114 HH11 ARG 18 HH11 ARG 18 -19.371 15.350 -43.169 115 HH12 ARG 18 HH12 ARG 18 -20.527 15.649 -44.426 116 HH21 ARG 18 HH21 ARG 18 -18.364 17.561 -46.388 117 HH22 ARG 18 HH22 ARG 18 -19.960 16.895 -46.240 118 H GLY 19 H GLY 19 -12.972 18.581 -38.759 119 HA2 GLY 19 HA2 GLY 19 -12.201 16.545 -36.851 120 HA3 GLY 19 HA3 GLY 19 -12.097 18.289 -36.649 121 H ALA 20 H ALA 20 -14.192 15.492 -36.388 122 HA ALA 20 HA ALA 20 -16.578 16.633 -35.440 123 HB1 ALA 20 HB1 ALA 20 -16.360 14.269 -36.153 124 HB2 ALA 20 HB2 ALA 20 -17.082 14.389 -34.549 125 HB3 ALA 20 HB3 ALA 20 -15.387 13.922 -34.723 126 H SER 21 H SER 21 -16.866 17.844 -33.659 127 HA SER 21 HA SER 21 -14.908 17.698 -31.442 128 HB2 SER 21 HB2 SER 21 -14.619 19.699 -32.885 129 HB3 SER 21 HB3 SER 21 -16.302 20.144 -32.612 130 HG SER 21 HG SER 21 -15.851 20.641 -30.549 131 H GLN 22 H GLN 22 -16.536 16.109 -30.618 132 HA GLN 22 HA GLN 22 -18.735 17.402 -29.106 133 HB2 GLN 22 HB2 GLN 22 -18.210 14.438 -29.630 134 HB3 GLN 22 HB3 GLN 22 -19.492 15.053 -28.598 135 HG2 GLN 22 HG2 GLN 22 -20.496 14.481 -30.685 136 HG3 GLN 22 HG3 GLN 22 -20.449 16.237 -30.598 137 HE21 GLN 22 HE21 GLN 22 -20.628 16.442 -32.854 138 HE22 GLN 22 HE22 GLN 22 -19.336 16.059 -33.933 139 H LYS 23 H LYS 23 -17.776 18.293 -27.383 140 HA LYS 23 HA LYS 23 -15.399 17.481 -26.128 141 HB2 LYS 23 HB2 LYS 23 -15.929 19.197 -24.434 142 HB3 LYS 23 HB3 LYS 23 -16.262 19.800 -26.053 143 HG2 LYS 23 HG2 LYS 23 -18.686 19.380 -25.705 144 HG3 LYS 23 HG3 LYS 23 -18.346 18.778 -24.085 145 HD2 LYS 23 HD2 LYS 23 -19.153 21.051 -23.916 146 HD3 LYS 23 HD3 LYS 23 -17.444 21.029 -23.476 147 HE2 LYS 23 HE2 LYS 23 -16.863 21.875 -25.728 148 HE3 LYS 23 HE3 LYS 23 -18.574 21.875 -26.166 149 HZ1 LYS 23 HZ1 LYS 23 -18.974 23.495 -24.412 150 HZ2 LYS 23 HZ2 LYS 23 -17.845 24.071 -25.529 151 HZ3 LYS 23 HZ3 LYS 23 -17.328 23.508 -24.019 152 H LYS 24 H LYS 24 -18.768 16.763 -25.371 153 HA LYS 24 HA LYS 24 -17.974 14.851 -23.250 154 HB2 LYS 24 HB2 LYS 24 -20.320 16.801 -23.233 155 HB3 LYS 24 HB3 LYS 24 -20.206 15.423 -22.143 156 HG2 LYS 24 HG2 LYS 24 -18.055 16.380 -21.264 157 HG3 LYS 24 HG3 LYS 24 -18.354 17.821 -22.249 158 HD2 LYS 24 HD2 LYS 24 -20.465 18.228 -21.036 159 HD3 LYS 24 HD3 LYS 24 -20.228 16.752 -20.095 160 HE2 LYS 24 HE2 LYS 24 -19.611 18.689 -18.753 161 HE3 LYS 24 HE3 LYS 24 -18.167 17.743 -19.115 162 HZ1 LYS 24 HZ1 LYS 24 -17.735 20.080 -19.388 163 HZ2 LYS 24 HZ2 LYS 24 -19.015 20.241 -20.480 164 HZ3 LYS 24 HZ3 LYS 24 -17.661 19.323 -20.895 165 H GLY 25 H GLY 25 -18.298 14.273 -26.017 166 HA2 GLY 25 HA2 GLY 25 -20.787 13.062 -26.656 167 HA3 GLY 25 HA3 GLY 25 -19.226 12.636 -27.346 168 H GLY 26 H GLY 26 -18.204 12.082 -24.566 169 HA2 GLY 26 HA2 GLY 26 -19.781 9.945 -23.426 170 HA3 GLY 26 HA3 GLY 26 -18.304 9.399 -24.226 171 H GLU 27 H GLU 27 -19.178 12.198 -22.193 172 HA GLU 27 HA GLU 27 -17.259 11.481 -20.112 173 HB2 GLU 27 HB2 GLU 27 -15.895 12.738 -21.782 174 HB3 GLU 27 HB3 GLU 27 -17.001 14.102 -21.652 175 HG2 GLU 27 HG2 GLU 27 -16.360 14.359 -19.257 176 HG3 GLU 27 HG3 GLU 27 -15.229 13.018 -19.436 177 HA PRO 28 HA PRO 28 -21.025 13.591 -18.409 178 HB2 PRO 28 HB2 PRO 28 -21.655 11.832 -16.456 179 HB3 PRO 28 HB3 PRO 28 -21.966 11.447 -18.165 180 HG2 PRO 28 HG2 PRO 28 -19.710 10.516 -16.410 181 HG3 PRO 28 HG3 PRO 28 -20.674 9.596 -17.585 182 HD2 PRO 28 HD2 PRO 28 -18.156 10.666 -18.130 183 HD3 PRO 28 HD3 PRO 28 -19.358 10.251 -19.371 184 HA PRO 29 HA PRO 29 -18.748 15.785 -15.113 185 HB2 PRO 29 HB2 PRO 29 -21.420 16.868 -14.308 186 HB3 PRO 29 HB3 PRO 29 -19.973 17.740 -14.850 187 HG2 PRO 29 HG2 PRO 29 -22.112 17.552 -16.439 188 HG3 PRO 29 HG3 PRO 29 -20.464 17.457 -17.106 189 HD2 PRO 29 HD2 PRO 29 -22.374 15.193 -16.503 190 HD3 PRO 29 HD3 PRO 29 -21.373 15.460 -17.950 191 H ALA 30 H ALA 30 -18.103 14.288 -13.624 192 HA ALA 30 HA ALA 30 -19.884 12.584 -12.154 193 HB1 ALA 30 HB1 ALA 30 -17.668 11.805 -12.883 194 HB2 ALA 30 HB2 ALA 30 -17.829 11.683 -11.129 195 HB3 ALA 30 HB3 ALA 30 -16.891 12.998 -11.842 196 H LEU 31 H LEU 31 -20.720 12.856 -10.163 197 HA LEU 31 HA LEU 31 -20.200 15.272 -8.606 198 HB2 LEU 31 HB2 LEU 31 -22.178 12.998 -8.145 199 HB3 LEU 31 HB3 LEU 31 -22.118 14.493 -7.222 200 HG LEU 31 HG LEU 31 -22.827 14.255 -10.176 201 HD11 LEU 31 HD11 LEU 31 -25.088 14.904 -9.499 202 HD12 LEU 31 HD12 LEU 31 -24.599 14.881 -7.801 203 HD13 LEU 31 HD13 LEU 31 -24.594 13.388 -8.746 204 HD21 LEU 31 HD21 LEU 31 -23.401 16.655 -10.055 205 HD22 LEU 31 HD22 LEU 31 -21.690 16.375 -9.758 206 HD23 LEU 31 HD23 LEU 31 -22.768 16.725 -8.405 207 H ILE 32 H ILE 32 -19.845 15.132 -6.276 208 HA ILE 32 HA ILE 32 -17.560 13.521 -5.707 209 HB ILE 32 HB ILE 32 -17.592 14.650 -3.443 210 HG12 ILE 32 HG12 ILE 32 -19.979 16.202 -4.575 211 HG13 ILE 32 HG13 ILE 32 -20.060 15.049 -3.248 212 HG21 ILE 32 HG21 ILE 32 -16.307 15.568 -5.324 213 HG22 ILE 32 HG22 ILE 32 -16.940 16.867 -4.316 214 HG23 ILE 32 HG23 ILE 32 -17.712 16.494 -5.860 215 HD11 ILE 32 HD11 ILE 32 -18.603 17.695 -3.231 216 HD12 ILE 32 HD12 ILE 32 -18.602 16.524 -1.908 217 HD13 ILE 32 HD13 ILE 32 -20.108 17.299 -2.400 218 H VAL 33 H VAL 33 -17.901 11.395 -5.508 219 HA VAL 33 HA VAL 33 -20.097 10.158 -4.160 220 HB VAL 33 HB VAL 33 -18.857 8.027 -4.449 221 HG11 VAL 33 HG11 VAL 33 -18.755 8.016 -6.927 222 HG12 VAL 33 HG12 VAL 33 -18.800 9.781 -6.935 223 HG13 VAL 33 HG13 VAL 33 -20.184 8.867 -6.333 224 HG21 VAL 33 HG21 VAL 33 -16.636 7.970 -5.554 225 HG22 VAL 33 HG22 VAL 33 -16.553 8.812 -4.006 226 HG23 VAL 33 HG23 VAL 33 -16.564 9.734 -5.512 227 H ASP 34 H ASP 34 -17.222 11.564 -3.025 228 HA ASP 34 HA ASP 34 -17.490 10.353 -0.334 229 HB2 ASP 34 HB2 ASP 34 -14.987 10.496 -0.138 230 HB3 ASP 34 HB3 ASP 34 -15.522 9.377 -1.382 231 HA PRO 35 HA PRO 35 -18.072 15.025 -0.735 232 HB2 PRO 35 HB2 PRO 35 -20.317 15.312 0.811 233 HB3 PRO 35 HB3 PRO 35 -20.388 14.719 -0.863 234 HG2 PRO 35 HG2 PRO 35 -20.380 13.114 1.693 235 HG3 PRO 35 HG3 PRO 35 -21.455 12.968 0.280 236 HD2 PRO 35 HD2 PRO 35 -19.334 11.323 0.593 237 HD3 PRO 35 HD3 PRO 35 -19.841 11.886 -1.016 238 H LEU 36 H LEU 36 -18.042 13.141 2.252 239 HA LEU 36 HA LEU 36 -17.142 15.457 3.848 240 HB2 LEU 36 HB2 LEU 36 -17.946 12.670 4.795 241 HB3 LEU 36 HB3 LEU 36 -17.589 14.051 5.824 242 HG LEU 36 HG LEU 36 -19.964 13.813 3.931 243 HD11 LEU 36 HD11 LEU 36 -21.331 13.682 5.958 244 HD12 LEU 36 HD12 LEU 36 -19.876 13.707 6.959 245 HD13 LEU 36 HD13 LEU 36 -20.181 12.350 5.872 246 HD21 LEU 36 HD21 LEU 36 -19.247 16.057 5.854 247 HD22 LEU 36 HD22 LEU 36 -20.756 15.921 4.947 248 HD23 LEU 36 HD23 LEU 36 -19.236 16.140 4.088 249 H MET 37 H MET 37 -16.366 11.988 4.039 250 HA MET 37 HA MET 37 -13.589 12.273 3.429 251 HB2 MET 37 HB2 MET 37 -13.632 13.277 5.714 252 HB3 MET 37 HB3 MET 37 -14.379 11.816 6.343 253 HG2 MET 37 HG2 MET 37 -12.349 10.536 5.807 254 HG3 MET 37 HG3 MET 37 -11.602 11.989 5.137 255 HE1 MET 37 HE1 MET 37 -12.575 14.245 7.216 256 HE2 MET 37 HE2 MET 37 -10.910 14.130 6.644 257 HE3 MET 37 HE3 MET 37 -11.238 14.228 8.371 258 H LYS 38 H LYS 38 -12.830 10.339 2.839 259 HA LYS 38 HA LYS 38 -13.726 7.798 3.831 260 HB2 LYS 38 HB2 LYS 38 -15.601 8.266 2.269 261 HB3 LYS 38 HB3 LYS 38 -14.467 8.614 0.973 262 HG2 LYS 38 HG2 LYS 38 -15.452 6.403 0.664 263 HG3 LYS 38 HG3 LYS 38 -13.719 6.265 0.971 264 HD2 LYS 38 HD2 LYS 38 -14.192 5.648 3.332 265 HD3 LYS 38 HD3 LYS 38 -15.925 5.783 3.025 266 HE2 LYS 38 HE2 LYS 38 -15.856 3.904 1.501 267 HE3 LYS 38 HE3 LYS 38 -14.094 3.855 1.559 268 HZ1 LYS 38 HZ1 LYS 38 -15.081 2.138 2.932 269 HZ2 LYS 38 HZ2 LYS 38 -15.907 3.303 3.843 270 HZ3 LYS 38 HZ3 LYS 38 -14.218 3.243 3.879 271 H TYR 39 H TYR 39 -11.906 6.621 3.817 272 HA TYR 39 HA TYR 39 -9.492 7.476 2.544 273 HB2 TYR 39 HB2 TYR 39 -10.211 4.933 4.069 274 HB3 TYR 39 HB3 TYR 39 -8.588 5.279 3.480 275 HD1 TYR 39 HD1 TYR 39 -11.240 6.492 5.833 276 HD2 TYR 39 HD2 TYR 39 -7.118 6.745 4.712 277 HE1 TYR 39 HE1 TYR 39 -10.745 7.726 7.902 278 HE2 TYR 39 HE2 TYR 39 -6.634 7.976 6.780 279 HH TYR 39 HH TYR 39 -7.787 9.338 8.432 280 H ILE 40 H ILE 40 -9.671 7.455 0.318 281 HA ILE 40 HA ILE 40 -10.385 4.939 -1.070 282 HB ILE 40 HB ILE 40 -10.404 7.835 -2.022 283 HG12 ILE 40 HG12 ILE 40 -12.691 5.861 -1.565 284 HG13 ILE 40 HG13 ILE 40 -12.327 7.284 -0.597 285 HG21 ILE 40 HG21 ILE 40 -9.680 6.404 -3.878 286 HG22 ILE 40 HG22 ILE 40 -11.288 7.057 -4.177 287 HG23 ILE 40 HG23 ILE 40 -11.099 5.380 -3.661 288 HD11 ILE 40 HD11 ILE 40 -13.294 7.272 -3.459 289 HD12 ILE 40 HD12 ILE 40 -12.881 8.712 -2.524 290 HD13 ILE 40 HD13 ILE 40 -14.225 7.690 -2.020 291 H CYS 41 H CYS 41 -8.943 4.008 -2.494 292 HA CYS 41 HA CYS 41 -6.162 4.670 -2.199 293 HB2 CYS 41 HB2 CYS 41 -6.707 2.326 -2.223 294 HB3 CYS 41 HB3 CYS 41 -7.659 2.490 -3.688 295 H HIS 42 H HIS 42 -5.638 6.436 -3.207 296 HA HIS 42 HA HIS 42 -7.033 7.617 -5.384 297 HB2 HIS 42 HB2 HIS 42 -4.342 8.409 -4.205 298 HB3 HIS 42 HB3 HIS 42 -5.328 9.416 -5.265 299 HD1 HIS 42 HD1 HIS 42 -4.693 8.793 -1.802 300 HD2 HIS 42 HD2 HIS 42 -8.021 9.900 -4.021 301 HE1 HIS 42 HE1 HIS 42 -6.323 9.735 -0.154 302 HE2 HIS 42 HE2 HIS 42 -8.396 10.231 -1.495 303 H ILE 43 H ILE 43 -4.090 5.647 -5.353 304 HA ILE 43 HA ILE 43 -3.265 5.937 -8.004 305 HB ILE 43 HB ILE 43 -3.275 3.354 -6.383 306 HG12 ILE 43 HG12 ILE 43 -1.122 5.512 -6.652 307 HG13 ILE 43 HG13 ILE 43 -2.023 5.095 -5.202 308 HG21 ILE 43 HG21 ILE 43 -1.644 4.036 -8.868 309 HG22 ILE 43 HG22 ILE 43 -2.966 2.871 -8.776 310 HG23 ILE 43 HG23 ILE 43 -1.475 2.571 -7.891 311 HD11 ILE 43 HD11 ILE 43 -0.928 2.898 -5.165 312 HD12 ILE 43 HD12 ILE 43 0.221 4.232 -5.089 313 HD13 ILE 43 HD13 ILE 43 0.002 3.349 -6.598 314 H CYS 44 H CYS 44 -5.964 3.918 -6.703 315 HA CYS 44 HA CYS 44 -6.607 3.075 -9.491 316 HB2 CYS 44 HB2 CYS 44 -7.883 1.222 -8.425 317 HB3 CYS 44 HB3 CYS 44 -6.165 1.181 -8.036 318 H ASN 45 H ASN 45 -7.412 5.428 -7.443 319 HA ASN 45 HA ASN 45 -9.098 6.816 -6.966 320 HB2 ASN 45 HB2 ASN 45 -10.356 7.663 -8.757 321 HB3 ASN 45 HB3 ASN 45 -8.988 6.926 -9.566 322 HD21 ASN 45 HD21 ASN 45 -9.349 5.076 -10.857 323 HD22 ASN 45 HD22 ASN 45 -10.930 4.580 -11.338 324 H ARG 46 H ARG 46 -9.534 3.803 -6.342 325 HA ARG 46 HA ARG 46 -12.394 3.920 -5.640 326 HB2 ARG 46 HB2 ARG 46 -10.965 1.556 -6.953 327 HB3 ARG 46 HB3 ARG 46 -12.628 1.533 -6.369 328 HG2 ARG 46 HG2 ARG 46 -13.320 3.089 -8.088 329 HG3 ARG 46 HG3 ARG 46 -11.650 3.371 -8.581 330 HD2 ARG 46 HD2 ARG 46 -11.486 1.016 -9.329 331 HD3 ARG 46 HD3 ARG 46 -13.174 0.756 -8.867 332 HE ARG 46 HE ARG 46 -12.938 2.963 -10.661 333 HH11 ARG 46 HH11 ARG 46 -12.910 -0.545 -10.662 334 HH12 ARG 46 HH12 ARG 46 -13.450 -0.668 -12.302 335 HH21 ARG 46 HH21 ARG 46 -13.639 2.770 -12.826 336 HH22 ARG 46 HH22 ARG 46 -13.861 1.199 -13.527 337 H GLY 47 H GLY 47 -12.857 2.886 -3.692 338 HA2 GLY 47 HA2 GLY 47 -10.595 1.951 -2.029 339 HA3 GLY 47 HA3 GLY 47 -12.195 2.414 -1.464 340 H ASP 48 H ASP 48 -11.077 0.153 -3.977 341 HA ASP 48 HA ASP 48 -13.017 -1.718 -4.011 342 HB2 ASP 48 HB2 ASP 48 -10.055 -2.429 -4.260 343 HB3 ASP 48 HB3 ASP 48 -11.403 -3.343 -4.935 344 H VAL 49 H VAL 49 -9.985 -2.666 -2.330 345 HA VAL 49 HA VAL 49 -11.612 -4.225 -0.393 346 HB VAL 49 HB VAL 49 -8.770 -4.836 -1.333 347 HG11 VAL 49 HG11 VAL 49 -9.162 -5.610 0.975 348 HG12 VAL 49 HG12 VAL 49 -9.054 -6.989 -0.119 349 HG13 VAL 49 HG13 VAL 49 -10.631 -6.450 0.468 350 HG21 VAL 49 HG21 VAL 49 -10.409 -5.238 -3.144 351 HG22 VAL 49 HG22 VAL 49 -11.372 -6.249 -2.065 352 HG23 VAL 49 HG23 VAL 49 -9.752 -6.763 -2.543 353 H GLU 50 H GLU 50 -11.751 -2.988 1.371 354 HA GLU 50 HA GLU 50 -9.828 -1.087 2.247 355 HB2 GLU 50 HB2 GLU 50 -12.162 -2.307 3.779 356 HB3 GLU 50 HB3 GLU 50 -11.272 -0.857 4.250 357 HG2 GLU 50 HG2 GLU 50 -11.986 0.214 2.104 358 HG3 GLU 50 HG3 GLU 50 -12.980 -1.207 1.771 359 H GLU 51 H GLU 51 -10.252 -4.472 2.861 360 HA GLU 51 HA GLU 51 -8.723 -4.713 5.270 361 HB2 GLU 51 HB2 GLU 51 -9.400 -6.839 3.183 362 HB3 GLU 51 HB3 GLU 51 -8.768 -7.155 4.792 363 HG2 GLU 51 HG2 GLU 51 -11.117 -7.638 4.834 364 HG3 GLU 51 HG3 GLU 51 -10.851 -6.168 5.767 365 H SER 52 H SER 52 -7.907 -4.412 1.936 366 HA SER 52 HA SER 52 -5.072 -5.130 2.410 367 HB2 SER 52 HB2 SER 52 -6.604 -4.902 -0.217 368 HB3 SER 52 HB3 SER 52 -4.916 -5.393 -0.044 369 HG SER 52 HG SER 52 -6.812 -6.808 1.434 370 H MET 53 H MET 53 -6.895 -2.514 2.686 371 HA MET 53 HA MET 53 -5.273 -0.615 1.156 372 HB2 MET 53 HB2 MET 53 -7.703 -0.266 1.190 373 HB3 MET 53 HB3 MET 53 -7.695 -0.183 2.947 374 HG2 MET 53 HG2 MET 53 -6.385 1.883 2.872 375 HG3 MET 53 HG3 MET 53 -6.283 1.777 1.115 376 HE1 MET 53 HE1 MET 53 -9.255 0.780 0.389 377 HE2 MET 53 HE2 MET 53 -8.397 2.042 -0.500 378 HE3 MET 53 HE3 MET 53 -10.032 2.334 0.089 379 H LEU 54 H LEU 54 -3.465 0.070 2.028 380 HA LEU 54 HA LEU 54 -3.006 0.096 4.934 381 HB2 LEU 54 HB2 LEU 54 -1.042 0.268 2.620 382 HB3 LEU 54 HB3 LEU 54 -0.617 0.126 4.322 383 HG LEU 54 HG LEU 54 -2.105 -2.010 2.728 384 HD11 LEU 54 HD11 LEU 54 -0.025 -3.278 2.748 385 HD12 LEU 54 HD12 LEU 54 0.807 -1.930 3.530 386 HD13 LEU 54 HD13 LEU 54 0.163 -1.747 1.896 387 HD21 LEU 54 HD21 LEU 54 -0.926 -2.115 5.533 388 HD22 LEU 54 HD22 LEU 54 -1.640 -3.477 4.664 389 HD23 LEU 54 HD23 LEU 54 -2.644 -2.104 5.117 390 H LEU 55 H LEU 55 -2.000 1.899 5.880 391 HA LEU 55 HA LEU 55 -2.212 4.503 4.478 392 HB2 LEU 55 HB2 LEU 55 -4.008 3.856 6.335 393 HB3 LEU 55 HB3 LEU 55 -2.712 4.174 7.463 394 HG LEU 55 HG LEU 55 -4.185 6.103 7.336 395 HD11 LEU 55 HD11 LEU 55 -2.664 7.923 6.790 396 HD12 LEU 55 HD12 LEU 55 -1.597 6.807 5.934 397 HD13 LEU 55 HD13 LEU 55 -1.830 6.650 7.677 398 HD21 LEU 55 HD21 LEU 55 -4.586 7.369 5.286 399 HD22 LEU 55 HD22 LEU 55 -5.165 5.712 5.144 400 HD23 LEU 55 HD23 LEU 55 -3.656 6.188 4.360 401 H CYS 56 H CYS 56 -0.173 5.228 4.254 402 HA CYS 56 HA CYS 56 2.129 4.174 5.435 403 HB2 CYS 56 HB2 CYS 56 2.244 5.455 3.364 404 HB3 CYS 56 HB3 CYS 56 1.739 6.922 4.197 405 H ASP 57 H ASP 57 2.594 4.165 7.525 406 HA ASP 57 HA ASP 57 1.851 5.795 9.609 407 HB2 ASP 57 HB2 ASP 57 2.982 3.645 9.939 408 HB3 ASP 57 HB3 ASP 57 4.451 4.242 9.185 409 H GLY 58 H GLY 58 4.800 6.068 7.619 410 HA2 GLY 58 HA2 GLY 58 5.368 8.784 8.604 411 HA3 GLY 58 HA3 GLY 58 6.426 7.766 7.638 412 H CYS 59 H CYS 59 3.080 8.786 7.235 413 HA CYS 59 HA CYS 59 3.322 11.018 5.593 414 HB2 CYS 59 HB2 CYS 59 2.906 8.432 4.015 415 HB3 CYS 59 HB3 CYS 59 2.260 9.963 3.436 416 H ASP 60 H ASP 60 0.827 10.648 4.139 417 HA ASP 60 HA ASP 60 -1.061 9.138 5.687 418 HB2 ASP 60 HB2 ASP 60 -1.124 11.145 7.072 419 HB3 ASP 60 HB3 ASP 60 -1.236 12.175 5.649 420 H ASP 61 H ASP 61 -1.761 8.050 3.934 421 HA ASP 61 HA ASP 61 -3.563 9.147 2.075 422 HB2 ASP 61 HB2 ASP 61 -1.294 9.927 1.060 423 HB3 ASP 61 HB3 ASP 61 -0.994 8.240 0.694 424 H SER 62 H SER 62 -4.657 7.447 0.929 425 HA SER 62 HA SER 62 -4.250 4.795 2.116 426 HB2 SER 62 HB2 SER 62 -6.567 5.934 0.502 427 HB3 SER 62 HB3 SER 62 -6.536 4.326 1.235 428 HG SER 62 HG SER 62 -6.625 5.218 3.216 429 H TYR 63 H TYR 63 -3.286 3.251 1.032 430 HA TYR 63 HA TYR 63 -3.232 3.166 -1.933 431 HB2 TYR 63 HB2 TYR 63 -1.092 2.251 0.059 432 HB3 TYR 63 HB3 TYR 63 -1.016 1.988 -1.680 433 HD1 TYR 63 HD1 TYR 63 -1.009 4.663 0.945 434 HD2 TYR 63 HD2 TYR 63 -0.138 3.683 -3.119 435 HE1 TYR 63 HE1 TYR 63 0.110 6.825 0.672 436 HE2 TYR 63 HE2 TYR 63 0.983 5.858 -3.399 437 HH TYR 63 HH TYR 63 1.809 7.848 -0.754 438 H HIS 64 H HIS 64 -3.696 1.105 -2.842 439 HA HIS 64 HA HIS 64 -4.377 -1.092 -0.989 440 HB2 HIS 64 HB2 HIS 64 -4.678 -0.824 -3.999 441 HB3 HIS 64 HB3 HIS 64 -4.886 -2.368 -3.190 442 HD2 HIS 64 HD2 HIS 64 -6.875 -1.768 -0.848 443 HE1 HIS 64 HE1 HIS 64 -9.231 0.185 -3.764 444 HE2 HIS 64 HE2 HIS 64 -9.219 -0.860 -1.450 445 H THR 65 H THR 65 -3.304 -3.034 -1.038 446 HA THR 65 HA THR 65 -0.559 -3.259 -1.578 447 HB THR 65 HB THR 65 -1.038 -5.774 -1.372 448 HG1 THR 65 HG1 THR 65 -3.071 -6.447 -1.345 449 HG21 THR 65 HG21 THR 65 -2.249 -4.015 0.799 450 HG22 THR 65 HG22 THR 65 -0.540 -4.433 0.650 451 HG23 THR 65 HG23 THR 65 -1.730 -5.687 1.001 452 H PHE 66 H PHE 66 -3.437 -4.087 -3.454 453 HA PHE 66 HA PHE 66 -2.293 -5.402 -5.664 454 HB2 PHE 66 HB2 PHE 66 -4.860 -3.746 -5.672 455 HB3 PHE 66 HB3 PHE 66 -4.458 -5.075 -6.751 456 HD1 PHE 66 HD1 PHE 66 -4.137 -7.421 -5.651 457 HD2 PHE 66 HD2 PHE 66 -6.140 -4.152 -3.737 458 HE1 PHE 66 HE1 PHE 66 -5.290 -8.988 -4.152 459 HE2 PHE 66 HE2 PHE 66 -7.274 -5.729 -2.244 460 HZ PHE 66 HZ PHE 66 -6.856 -8.143 -2.448 461 H CYS 67 H CYS 67 -2.901 -1.987 -4.984 462 HA CYS 67 HA CYS 67 -2.634 -1.026 -7.645 463 HB2 CYS 67 HB2 CYS 67 -2.599 0.433 -4.985 464 HB3 CYS 67 HB3 CYS 67 -2.709 1.227 -6.559 465 H LEU 68 H LEU 68 -0.316 -1.784 -5.215 466 HA LEU 68 HA LEU 68 1.863 -0.276 -6.456 467 HB2 LEU 68 HB2 LEU 68 1.855 -2.237 -4.126 468 HB3 LEU 68 HB3 LEU 68 3.227 -1.256 -4.622 469 HG LEU 68 HG LEU 68 0.603 -0.189 -3.477 470 HD11 LEU 68 HD11 LEU 68 3.339 -0.342 -2.174 471 HD12 LEU 68 HD12 LEU 68 1.941 -1.346 -1.782 472 HD13 LEU 68 HD13 LEU 68 1.886 0.389 -1.483 473 HD21 LEU 68 HD21 LEU 68 1.562 1.413 -5.057 474 HD22 LEU 68 HD22 LEU 68 3.123 1.337 -4.232 475 HD23 LEU 68 HD23 LEU 68 1.711 2.007 -3.407 476 H LEU 69 H LEU 69 3.522 -1.233 -7.612 477 HA LEU 69 HA LEU 69 3.136 -4.023 -8.538 478 HB2 LEU 69 HB2 LEU 69 4.508 -1.678 -9.914 479 HB3 LEU 69 HB3 LEU 69 4.660 -3.338 -10.463 480 HG LEU 69 HG LEU 69 2.105 -3.367 -10.719 481 HD11 LEU 69 HD11 LEU 69 0.965 -1.210 -11.020 482 HD12 LEU 69 HD12 LEU 69 2.410 -0.369 -10.449 483 HD13 LEU 69 HD13 LEU 69 1.522 -1.442 -9.365 484 HD21 LEU 69 HD21 LEU 69 2.165 -2.272 -12.920 485 HD22 LEU 69 HD22 LEU 69 3.587 -3.275 -12.642 486 HD23 LEU 69 HD23 LEU 69 3.709 -1.519 -12.505 487 HA PRO 70 HA PRO 70 3.737 -5.902 -8.477 488 HB2 PRO 70 HB2 PRO 70 4.615 -8.090 -7.119 489 HB3 PRO 70 HB3 PRO 70 5.455 -7.528 -8.583 490 HG2 PRO 70 HG2 PRO 70 6.208 -7.117 -5.704 491 HG3 PRO 70 HG3 PRO 70 7.244 -7.508 -7.096 492 HD2 PRO 70 HD2 PRO 70 6.928 -4.943 -6.075 493 HD3 PRO 70 HD3 PRO 70 7.437 -5.298 -7.737 494 HA PRO 71 HA PRO 71 0.825 -5.591 -5.010 495 HB2 PRO 71 HB2 PRO 71 0.234 -8.520 -5.504 496 HB3 PRO 71 HB3 PRO 71 -0.892 -7.150 -5.354 497 HG2 PRO 71 HG2 PRO 71 -0.369 -8.139 -7.754 498 HG3 PRO 71 HG3 PRO 71 -0.475 -6.378 -7.520 499 HD2 PRO 71 HD2 PRO 71 1.988 -8.086 -7.830 500 HD3 PRO 71 HD3 PRO 71 1.649 -6.468 -8.488 501 H LEU 72 H LEU 72 0.953 -5.858 -2.819 502 HA LEU 72 HA LEU 72 3.381 -6.949 -1.787 503 HB2 LEU 72 HB2 LEU 72 0.986 -5.880 -0.240 504 HB3 LEU 72 HB3 LEU 72 2.604 -6.132 0.399 505 HG LEU 72 HG LEU 72 1.799 -4.084 -1.706 506 HD11 LEU 72 HD11 LEU 72 1.074 -3.440 0.512 507 HD12 LEU 72 HD12 LEU 72 2.383 -2.398 -0.041 508 HD13 LEU 72 HD13 LEU 72 2.709 -3.665 1.146 509 HD21 LEU 72 HD21 LEU 72 4.111 -3.244 -1.602 510 HD22 LEU 72 HD22 LEU 72 4.046 -4.894 -2.207 511 HD23 LEU 72 HD23 LEU 72 4.560 -4.590 -0.546 512 H THR 73 H THR 73 3.581 -9.079 -1.845 513 HA THR 73 HA THR 73 1.689 -11.102 -1.686 514 HB THR 73 HB THR 73 4.649 -11.260 -0.930 515 HG1 THR 73 HG1 THR 73 3.302 -11.548 -3.429 516 HG21 THR 73 HG21 THR 73 2.783 -13.464 -1.909 517 HG22 THR 73 HG22 THR 73 3.433 -13.326 -0.277 518 HG23 THR 73 HG23 THR 73 4.522 -13.629 -1.627 519 H SER 74 H SER 74 3.523 -9.572 0.902 520 HA SER 74 HA SER 74 1.938 -10.992 2.969 521 HB2 SER 74 HB2 SER 74 4.510 -9.386 3.337 522 HB3 SER 74 HB3 SER 74 3.684 -10.369 4.551 523 HG SER 74 HG SER 74 4.233 -12.201 3.421 524 H ILE 75 H ILE 75 0.460 -9.773 4.079 525 HA ILE 75 HA ILE 75 0.252 -6.910 3.751 526 HB ILE 75 HB ILE 75 -1.143 -8.661 5.837 527 HG12 ILE 75 HG12 ILE 75 -1.613 -9.401 3.480 528 HG13 ILE 75 HG13 ILE 75 -3.049 -8.830 4.322 529 HG21 ILE 75 HG21 ILE 75 -1.812 -5.848 4.847 530 HG22 ILE 75 HG22 ILE 75 -1.193 -6.275 6.442 531 HG23 ILE 75 HG23 ILE 75 -2.806 -6.798 5.960 532 HD11 ILE 75 HD11 ILE 75 -1.466 -7.306 2.259 533 HD12 ILE 75 HD12 ILE 75 -2.892 -6.702 3.109 534 HD13 ILE 75 HD13 ILE 75 -3.028 -8.088 2.029 535 HA PRO 76 HA PRO 76 3.556 -5.924 6.785 536 HB2 PRO 76 HB2 PRO 76 1.823 -3.437 6.880 537 HB3 PRO 76 HB3 PRO 76 3.596 -3.571 6.808 538 HG2 PRO 76 HG2 PRO 76 2.284 -2.973 4.611 539 HG3 PRO 76 HG3 PRO 76 3.594 -4.177 4.536 540 HD2 PRO 76 HD2 PRO 76 0.618 -4.619 4.522 541 HD3 PRO 76 HD3 PRO 76 1.887 -5.473 3.613 542 H LYS 77 H LYS 77 3.332 -7.067 8.588 543 HA LYS 77 HA LYS 77 1.158 -7.277 10.343 544 HB2 LYS 77 HB2 LYS 77 3.050 -8.897 10.198 545 HB3 LYS 77 HB3 LYS 77 4.134 -7.706 10.899 546 HG2 LYS 77 HG2 LYS 77 3.466 -9.374 12.563 547 HG3 LYS 77 HG3 LYS 77 2.881 -7.769 13.010 548 HD2 LYS 77 HD2 LYS 77 0.625 -8.354 12.151 549 HD3 LYS 77 HD3 LYS 77 1.206 -9.964 11.712 550 HE2 LYS 77 HE2 LYS 77 1.581 -10.514 14.045 551 HE3 LYS 77 HE3 LYS 77 1.216 -8.858 14.540 552 HZ1 LYS 77 HZ1 LYS 77 -0.640 -10.361 14.905 553 HZ2 LYS 77 HZ2 LYS 77 -0.704 -10.721 13.254 554 HZ3 LYS 77 HZ3 LYS 77 -1.039 -9.150 13.796 555 H GLY 78 H GLY 78 4.004 -5.171 10.434 556 HA2 GLY 78 HA2 GLY 78 2.871 -3.484 12.576 557 HA3 GLY 78 HA3 GLY 78 4.488 -3.370 11.887 558 H GLU 79 H GLU 79 3.222 -1.045 12.090 559 HA GLU 79 HA GLU 79 1.550 -0.139 10.045 560 HB2 GLU 79 HB2 GLU 79 3.729 1.293 11.631 561 HB3 GLU 79 HB3 GLU 79 2.640 2.137 10.538 562 HG2 GLU 79 HG2 GLU 79 1.730 0.533 12.955 563 HG3 GLU 79 HG3 GLU 79 1.988 2.279 12.943 564 H TRP 80 H TRP 80 1.895 0.621 7.957 565 HA TRP 80 HA TRP 80 4.275 -0.451 6.637 566 HB2 TRP 80 HB2 TRP 80 2.153 -1.211 5.747 567 HB3 TRP 80 HB3 TRP 80 1.524 0.429 5.680 568 HD1 TRP 80 HD1 TRP 80 4.197 -1.763 3.858 569 HE1 TRP 80 HE1 TRP 80 4.396 -0.888 1.442 570 HE3 TRP 80 HE3 TRP 80 1.124 2.285 4.231 571 HZ2 TRP 80 HZ2 TRP 80 3.387 1.244 -0.096 572 HZ3 TRP 80 HZ3 TRP 80 0.787 3.708 2.237 573 HH2 TRP 80 HH2 TRP 80 1.900 3.195 0.115 574 H LEU 81 H LEU 81 5.768 0.847 5.694 575 HA LEU 81 HA LEU 81 5.360 3.770 5.621 576 HB2 LEU 81 HB2 LEU 81 7.908 2.141 5.256 577 HB3 LEU 81 HB3 LEU 81 7.813 3.897 5.243 578 HG LEU 81 HG LEU 81 7.251 2.108 7.644 579 HD11 LEU 81 HD11 LEU 81 9.617 3.916 7.089 580 HD12 LEU 81 HD12 LEU 81 9.620 2.151 7.072 581 HD13 LEU 81 HD13 LEU 81 9.321 3.013 8.579 582 HD21 LEU 81 HD21 LEU 81 7.290 5.145 7.477 583 HD22 LEU 81 HD22 LEU 81 7.131 4.191 8.956 584 HD23 LEU 81 HD23 LEU 81 5.866 4.128 7.733 585 H CYS 82 H CYS 82 5.040 4.738 3.683 586 HA CYS 82 HA CYS 82 4.776 3.405 1.209 587 HB2 CYS 82 HB2 CYS 82 4.783 5.748 0.239 588 HB3 CYS 82 HB3 CYS 82 3.651 5.539 1.580 589 HA PRO 83 HA PRO 83 8.994 2.624 -0.078 590 HB2 PRO 83 HB2 PRO 83 8.749 3.195 -2.863 591 HB3 PRO 83 HB3 PRO 83 8.426 1.639 -2.076 592 HG2 PRO 83 HG2 PRO 83 6.496 3.792 -2.852 593 HG3 PRO 83 HG3 PRO 83 6.307 2.025 -2.925 594 HD2 PRO 83 HD2 PRO 83 5.111 3.410 -0.972 595 HD3 PRO 83 HD3 PRO 83 5.859 1.836 -0.620 596 H ARG 84 H ARG 84 7.572 5.665 -1.012 597 HA ARG 84 HA ARG 84 9.783 7.209 -1.742 598 HB2 ARG 84 HB2 ARG 84 7.373 7.882 -1.955 599 HB3 ARG 84 HB3 ARG 84 7.276 8.076 -0.217 600 HG2 ARG 84 HG2 ARG 84 9.255 9.735 -1.784 601 HG3 ARG 84 HG3 ARG 84 7.551 10.169 -1.818 602 HD2 ARG 84 HD2 ARG 84 7.629 10.280 0.719 603 HD3 ARG 84 HD3 ARG 84 9.382 10.078 0.607 604 HE ARG 84 HE ARG 84 8.412 12.242 -1.017 605 HH11 ARG 84 HH11 ARG 84 9.285 11.436 2.297 606 HH12 ARG 84 HH12 ARG 84 9.634 13.075 2.713 607 HH21 ARG 84 HH21 ARG 84 8.890 14.379 -0.421 608 HH22 ARG 84 HH22 ARG 84 9.414 14.729 1.194 609 H CYS 85 H CYS 85 8.394 6.559 1.443 610 HA CYS 85 HA CYS 85 10.292 8.183 2.876 611 HB2 CYS 85 HB2 CYS 85 8.107 6.314 3.866 612 HB3 CYS 85 HB3 CYS 85 8.977 7.502 4.864 613 H VAL 86 H VAL 86 9.814 4.715 2.240 614 HA VAL 86 HA VAL 86 11.502 3.528 4.077 615 HB VAL 86 HB VAL 86 11.005 2.734 1.172 616 HG11 VAL 86 HG11 VAL 86 11.717 0.439 1.798 617 HG12 VAL 86 HG12 VAL 86 12.198 1.029 3.390 618 HG13 VAL 86 HG13 VAL 86 13.040 1.597 1.949 619 HG21 VAL 86 HG21 VAL 86 9.345 1.147 2.134 620 HG22 VAL 86 HG22 VAL 86 8.950 2.819 2.533 621 HG23 VAL 86 HG23 VAL 86 9.687 1.774 3.749 622 H VAL 87 H VAL 87 12.392 5.132 1.023 623 HA VAL 87 HA VAL 87 15.244 4.676 1.449 624 HB VAL 87 HB VAL 87 13.974 6.502 -0.611 625 HG11 VAL 87 HG11 VAL 87 16.084 6.190 -1.895 626 HG12 VAL 87 HG12 VAL 87 16.733 5.217 -0.573 627 HG13 VAL 87 HG13 VAL 87 16.378 6.927 -0.319 628 HG21 VAL 87 HG21 VAL 87 13.039 4.238 -0.896 629 HG22 VAL 87 HG22 VAL 87 14.665 3.553 -0.938 630 HG23 VAL 87 HG23 VAL 87 14.123 4.619 -2.236 631 H GLU 88 H GLU 88 15.184 5.621 3.561 632 HA GLU 88 HA GLU 88 15.339 8.587 3.656 633 HB2 GLU 88 HB2 GLU 88 14.756 8.422 6.062 634 HB3 GLU 88 HB3 GLU 88 13.486 7.755 5.042 635 HG2 GLU 88 HG2 GLU 88 13.895 5.554 5.705 636 HG3 GLU 88 HG3 GLU 88 15.560 5.891 6.167 637 H GLU 89 H GLU 89 16.804 9.400 5.336 638 HA GLU 89 HA GLU 89 18.872 7.650 6.417 639 HB2 GLU 89 HB2 GLU 89 19.723 8.539 4.176 640 HB3 GLU 89 HB3 GLU 89 19.597 10.165 4.831 641 HG2 GLU 89 HG2 GLU 89 21.921 9.285 4.875 642 HG3 GLU 89 HG3 GLU 89 21.318 9.702 6.479 643 H VAL 90 H VAL 90 20.190 8.968 8.075 644 HA VAL 90 HA VAL 90 18.669 10.065 10.080 645 HB VAL 90 HB VAL 90 21.564 10.872 9.505 646 HG11 VAL 90 HG11 VAL 90 21.752 11.273 11.951 647 HG12 VAL 90 HG12 VAL 90 20.035 10.911 12.143 648 HG13 VAL 90 HG13 VAL 90 20.543 12.325 11.217 649 HG21 VAL 90 HG21 VAL 90 21.324 8.413 9.561 650 HG22 VAL 90 HG22 VAL 90 20.540 8.514 11.140 651 HG23 VAL 90 HG23 VAL 90 22.231 8.987 10.963 652 H SER 91 H SER 91 20.403 11.878 7.562 653 HA SER 91 HA SER 91 19.351 14.449 8.314 654 HB2 SER 91 HB2 SER 91 20.836 13.603 5.785 655 HB3 SER 91 HB3 SER 91 20.567 15.261 6.328 656 HG SER 91 HG SER 91 21.710 13.827 8.295 657 H LYS 92 H LYS 92 17.075 14.242 8.197 658 HA LYS 92 HA LYS 92 15.743 13.841 5.646 659 HB2 LYS 92 HB2 LYS 92 14.801 14.781 8.382 660 HB3 LYS 92 HB3 LYS 92 13.770 15.007 6.982 661 HG2 LYS 92 HG2 LYS 92 13.064 13.016 8.105 662 HG3 LYS 92 HG3 LYS 92 13.818 12.550 6.580 663 HD2 LYS 92 HD2 LYS 92 15.908 11.972 7.822 664 HD3 LYS 92 HD3 LYS 92 15.102 12.385 9.337 665 HE2 LYS 92 HE2 LYS 92 13.424 10.599 8.889 666 HE3 LYS 92 HE3 LYS 92 14.301 10.176 7.418 667 HZ1 LYS 92 HZ1 LYS 92 15.335 10.006 10.187 668 HZ2 LYS 92 HZ2 LYS 92 16.227 9.664 8.794 669 HZ3 LYS 92 HZ3 LYS 92 14.889 8.711 9.194 670 HA PRO 93 HA PRO 93 16.091 18.193 4.281 671 HB2 PRO 93 HB2 PRO 93 13.804 18.537 2.808 672 HB3 PRO 93 HB3 PRO 93 15.129 17.490 2.249 673 HG2 PRO 93 HG2 PRO 93 12.566 16.712 3.633 674 HG3 PRO 93 HG3 PRO 93 13.333 15.981 2.201 675 HD2 PRO 93 HD2 PRO 93 13.602 14.908 4.691 676 HD3 PRO 93 HD3 PRO 93 14.890 14.796 3.471 677 H GLN 94 H GLN 94 15.214 17.940 6.996 678 HA GLN 94 HA GLN 94 13.394 20.256 7.282 679 HB2 GLN 94 HB2 GLN 94 13.777 18.023 9.336 680 HB3 GLN 94 HB3 GLN 94 12.609 19.341 9.406 681 HG2 GLN 94 HG2 GLN 94 11.426 18.373 7.455 682 HG3 GLN 94 HG3 GLN 94 12.592 17.048 7.416 683 HE21 GLN 94 HE21 GLN 94 9.819 18.371 9.028 684 HE22 GLN 94 HE22 GLN 94 9.518 17.024 10.067 Start of MODEL 2 1 H1 SER 1 H1 SER 1 -4.360 1.591 20.086 2 H2 SER 1 H2 SER 1 -3.278 1.355 21.359 3 H3 SER 1 H3 SER 1 -3.199 0.366 19.995 4 HA SER 1 HA SER 1 -2.583 2.210 18.622 5 HB2 SER 1 HB2 SER 1 -2.542 3.791 21.227 6 HB3 SER 1 HB3 SER 1 -2.128 4.409 19.622 7 HG SER 1 HG SER 1 -4.174 4.889 19.514 8 H HIS 2 H HIS 2 -1.358 2.098 22.004 9 HA HIS 2 HA HIS 2 0.489 1.239 22.967 10 HB2 HIS 2 HB2 HIS 2 0.425 -0.617 20.555 11 HB3 HIS 2 HB3 HIS 2 1.353 -0.914 22.024 12 HD2 HIS 2 HD2 HIS 2 -0.039 -2.050 24.092 13 HE1 HIS 2 HE1 HIS 2 -3.828 -1.922 22.230 14 HE2 HIS 2 HE2 HIS 2 -2.563 -2.603 24.309 15 H MET 3 H MET 3 0.906 3.501 21.225 16 HA MET 3 HA MET 3 3.708 3.140 20.350 17 HB2 MET 3 HB2 MET 3 1.984 4.140 18.729 18 HB3 MET 3 HB3 MET 3 1.869 5.525 19.810 19 HG2 MET 3 HG2 MET 3 4.343 5.890 19.475 20 HG3 MET 3 HG3 MET 3 4.310 4.618 18.250 21 HE1 MET 3 HE1 MET 3 5.468 6.552 16.650 22 HE2 MET 3 HE2 MET 3 5.297 7.731 17.955 23 HE3 MET 3 HE3 MET 3 4.687 8.102 16.345 24 H SER 4 H SER 4 2.857 3.225 23.155 25 HA SER 4 HA SER 4 3.698 5.677 24.347 26 HB2 SER 4 HB2 SER 4 4.007 4.237 26.408 27 HB3 SER 4 HB3 SER 4 2.416 4.071 25.666 28 HG SER 4 HG SER 4 2.943 2.025 25.863 29 H GLY 5 H GLY 5 5.345 2.534 23.887 30 HA2 GLY 5 HA2 GLY 5 7.417 2.085 22.989 31 HA3 GLY 5 HA3 GLY 5 7.787 3.802 22.953 32 H GLY 6 H GLY 6 7.608 4.621 25.508 33 HA2 GLY 6 HA2 GLY 6 8.781 4.701 27.491 34 HA3 GLY 6 HA3 GLY 6 9.235 3.011 27.283 35 H SER 7 H SER 7 10.819 2.565 25.573 36 HA SER 7 HA SER 7 12.996 4.481 25.337 37 HB2 SER 7 HB2 SER 7 13.486 2.079 25.745 38 HB3 SER 7 HB3 SER 7 12.625 1.640 24.268 39 HG SER 7 HG SER 7 15.129 2.093 24.443 40 HA PRO 8 HA PRO 8 11.426 5.846 21.239 41 HB2 PRO 8 HB2 PRO 8 13.782 6.986 20.274 42 HB3 PRO 8 HB3 PRO 8 12.658 7.809 21.379 43 HG2 PRO 8 HG2 PRO 8 15.225 6.388 22.020 44 HG3 PRO 8 HG3 PRO 8 14.584 7.906 22.689 45 HD2 PRO 8 HD2 PRO 8 14.419 5.555 24.049 46 HD3 PRO 8 HD3 PRO 8 13.168 6.808 24.190 47 H LEU 9 H LEU 9 11.116 3.643 20.620 48 HA LEU 9 HA LEU 9 13.300 2.055 19.560 49 HB2 LEU 9 HB2 LEU 9 10.312 1.469 19.603 50 HB3 LEU 9 HB3 LEU 9 11.573 0.326 19.160 51 HG LEU 9 HG LEU 9 11.143 1.527 21.927 52 HD11 LEU 9 HD11 LEU 9 10.668 -1.298 20.926 53 HD12 LEU 9 HD12 LEU 9 9.433 -0.111 21.355 54 HD13 LEU 9 HD13 LEU 9 10.506 -0.743 22.599 55 HD21 LEU 9 HD21 LEU 9 13.524 1.162 21.553 56 HD22 LEU 9 HD22 LEU 9 13.224 -0.491 21.012 57 HD23 LEU 9 HD23 LEU 9 12.903 -0.032 22.687 58 H ALA 10 H ALA 10 13.993 3.308 17.816 59 HA ALA 10 HA ALA 10 12.262 3.687 15.478 60 HB1 ALA 10 HB1 ALA 10 13.797 5.499 16.153 61 HB2 ALA 10 HB2 ALA 10 14.213 4.883 14.553 62 HB3 ALA 10 HB3 ALA 10 15.176 4.415 15.957 63 H THR 11 H THR 11 13.060 0.975 16.503 64 HA THR 11 HA THR 11 14.964 -0.218 14.757 65 HB THR 11 HB THR 11 13.922 -2.400 15.608 66 HG1 THR 11 HG1 THR 11 11.852 -1.855 16.102 67 HG21 THR 11 HG21 THR 11 14.742 -0.385 17.731 68 HG22 THR 11 HG22 THR 11 15.838 -1.393 16.781 69 HG23 THR 11 HG23 THR 11 14.725 -2.139 17.931 70 H GLY 12 H GLY 12 14.411 0.305 12.628 71 HA2 GLY 12 HA2 GLY 12 12.971 -1.477 11.110 72 HA3 GLY 12 HA3 GLY 12 11.813 -0.206 11.492 73 H THR 13 H THR 13 14.323 -1.148 9.427 74 HA THR 13 HA THR 13 14.093 1.335 7.915 75 HB THR 13 HB THR 13 16.058 1.910 9.157 76 HG1 THR 13 HG1 THR 13 16.854 2.542 7.320 77 HG21 THR 13 HG21 THR 13 18.072 0.499 9.353 78 HG22 THR 13 HG22 THR 13 17.258 -0.798 8.475 79 HG23 THR 13 HG23 THR 13 16.667 -0.303 10.062 80 H THR 14 H THR 14 12.867 0.088 6.504 81 HA THR 14 HA THR 14 14.051 -2.107 5.010 82 HB THR 14 HB THR 14 11.939 -1.822 3.554 83 HG1 THR 14 HG1 THR 14 11.398 0.303 4.028 84 HG21 THR 14 HG21 THR 14 11.499 -2.320 6.523 85 HG22 THR 14 HG22 THR 14 12.038 -3.519 5.344 86 HG23 THR 14 HG23 THR 14 10.421 -2.824 5.218 87 H ALA 15 H ALA 15 15.974 -0.841 4.461 88 HA ALA 15 HA ALA 15 15.907 1.412 2.720 89 HB1 ALA 15 HB1 ALA 15 18.326 0.980 2.416 90 HB2 ALA 15 HB2 ALA 15 18.154 -0.581 3.225 91 HB3 ALA 15 HB3 ALA 15 17.867 0.912 4.120 92 H ASN 16 H ASN 16 14.667 1.078 0.934 93 HA ASN 16 HA ASN 16 14.767 -1.284 -0.718 94 HB2 ASN 16 HB2 ASN 16 13.426 1.422 -1.151 95 HB3 ASN 16 HB3 ASN 16 13.231 0.045 -2.228 96 HD21 ASN 16 HD21 ASN 16 13.136 -1.890 0.061 97 HD22 ASN 16 HD22 ASN 16 11.569 -1.671 0.744 98 H THR 17 H THR 17 14.937 -0.792 -3.217 99 HA THR 17 HA THR 17 17.671 -0.233 -3.731 100 HB THR 17 HB THR 17 17.027 -0.597 -6.150 101 HG1 THR 17 HG1 THR 17 14.836 0.214 -5.941 102 HG21 THR 17 HG21 THR 17 16.417 -2.980 -5.888 103 HG22 THR 17 HG22 THR 17 15.986 -2.692 -4.201 104 HG23 THR 17 HG23 THR 17 17.664 -2.519 -4.724 105 H ARG 18 H ARG 18 18.160 1.847 -3.165 106 HA ARG 18 HA ARG 18 16.765 4.171 -3.963 107 HB2 ARG 18 HB2 ARG 18 18.913 5.387 -3.293 108 HB3 ARG 18 HB3 ARG 18 18.148 4.405 -2.062 109 HG2 ARG 18 HG2 ARG 18 20.486 4.073 -1.826 110 HG3 ARG 18 HG3 ARG 18 19.844 2.594 -2.538 111 HD2 ARG 18 HD2 ARG 18 21.993 3.263 -3.563 112 HD3 ARG 18 HD3 ARG 18 20.678 3.278 -4.750 113 HE ARG 18 HE ARG 18 21.236 5.825 -3.452 114 HH11 ARG 18 HH11 ARG 18 21.929 3.827 -6.266 115 HH12 ARG 18 HH12 ARG 18 22.466 5.165 -7.220 116 HH21 ARG 18 HH21 ARG 18 21.942 7.546 -4.717 117 HH22 ARG 18 HH22 ARG 18 22.474 7.273 -6.344 118 H GLY 19 H GLY 19 17.875 5.951 -5.305 119 HA2 GLY 19 HA2 GLY 19 18.449 6.681 -7.417 120 HA3 GLY 19 HA3 GLY 19 19.189 5.115 -7.737 121 H ALA 20 H ALA 20 15.946 5.161 -6.574 122 HA ALA 20 HA ALA 20 14.798 4.104 -8.981 123 HB1 ALA 20 HB1 ALA 20 12.676 4.133 -7.698 124 HB2 ALA 20 HB2 ALA 20 13.458 5.065 -6.416 125 HB3 ALA 20 HB3 ALA 20 13.982 3.412 -6.753 126 H SER 21 H SER 21 13.471 5.176 -10.450 127 HA SER 21 HA SER 21 14.291 7.716 -11.186 128 HB2 SER 21 HB2 SER 21 11.804 6.214 -12.084 129 HB3 SER 21 HB3 SER 21 12.504 7.607 -12.915 130 HG SER 21 HG SER 21 13.247 5.009 -13.012 131 H GLN 22 H GLN 22 13.965 9.525 -10.127 132 HA GLN 22 HA GLN 22 11.324 10.317 -9.068 133 HB2 GLN 22 HB2 GLN 22 14.123 11.459 -8.613 134 HB3 GLN 22 HB3 GLN 22 12.653 12.181 -7.964 135 HG2 GLN 22 HG2 GLN 22 13.682 9.398 -7.327 136 HG3 GLN 22 HG3 GLN 22 13.848 10.815 -6.288 137 HE21 GLN 22 HE21 GLN 22 12.454 8.192 -5.916 138 HE22 GLN 22 HE22 GLN 22 10.854 8.614 -5.417 139 H LYS 23 H LYS 23 12.035 10.152 -11.909 140 HA LYS 23 HA LYS 23 12.328 12.780 -13.005 141 HB2 LYS 23 HB2 LYS 23 11.408 10.141 -14.220 142 HB3 LYS 23 HB3 LYS 23 11.596 11.621 -15.158 143 HG2 LYS 23 HG2 LYS 23 13.847 10.266 -13.622 144 HG3 LYS 23 HG3 LYS 23 13.523 10.038 -15.349 145 HD2 LYS 23 HD2 LYS 23 13.890 12.459 -15.737 146 HD3 LYS 23 HD3 LYS 23 14.194 12.692 -14.014 147 HE2 LYS 23 HE2 LYS 23 15.876 10.968 -15.870 148 HE3 LYS 23 HE3 LYS 23 16.287 12.598 -15.330 149 HZ1 LYS 23 HZ1 LYS 23 17.432 11.055 -13.966 150 HZ2 LYS 23 HZ2 LYS 23 16.031 10.170 -13.648 151 HZ3 LYS 23 HZ3 LYS 23 16.203 11.731 -13.021 152 H LYS 24 H LYS 24 10.792 13.968 -11.911 153 HA LYS 24 HA LYS 24 8.167 14.034 -13.183 154 HB2 LYS 24 HB2 LYS 24 7.016 14.383 -10.952 155 HB3 LYS 24 HB3 LYS 24 7.599 12.748 -11.236 156 HG2 LYS 24 HG2 LYS 24 9.548 13.173 -9.777 157 HG3 LYS 24 HG3 LYS 24 8.970 14.821 -9.490 158 HD2 LYS 24 HD2 LYS 24 6.925 13.943 -8.431 159 HD3 LYS 24 HD3 LYS 24 7.436 12.286 -8.769 160 HE2 LYS 24 HE2 LYS 24 9.334 12.537 -7.251 161 HE3 LYS 24 HE3 LYS 24 8.917 14.230 -6.971 162 HZ1 LYS 24 HZ1 LYS 24 8.147 12.764 -5.191 163 HZ2 LYS 24 HZ2 LYS 24 7.179 11.921 -6.290 164 HZ3 LYS 24 HZ3 LYS 24 6.865 13.547 -5.960 165 H GLY 25 H GLY 25 10.538 15.515 -13.490 166 HA2 GLY 25 HA2 GLY 25 10.160 18.205 -12.517 167 HA3 GLY 25 HA3 GLY 25 11.150 17.692 -13.886 168 H GLY 26 H GLY 26 7.772 18.058 -12.900 169 HA2 GLY 26 HA2 GLY 26 6.357 19.373 -14.601 170 HA3 GLY 26 HA3 GLY 26 6.832 18.068 -15.692 171 H GLU 27 H GLU 27 4.161 18.751 -14.788 172 HA GLU 27 HA GLU 27 2.260 17.982 -13.835 173 HB2 GLU 27 HB2 GLU 27 3.622 15.324 -14.391 174 HB3 GLU 27 HB3 GLU 27 1.958 15.434 -13.843 175 HG2 GLU 27 HG2 GLU 27 2.002 15.081 -16.240 176 HG3 GLU 27 HG3 GLU 27 1.377 16.693 -15.897 177 HA PRO 28 HA PRO 28 4.233 17.729 -9.524 178 HB2 PRO 28 HB2 PRO 28 2.199 19.942 -9.215 179 HB3 PRO 28 HB3 PRO 28 3.852 19.832 -8.570 180 HG2 PRO 28 HG2 PRO 28 3.374 21.429 -10.621 181 HG3 PRO 28 HG3 PRO 28 4.842 20.418 -10.612 182 HD2 PRO 28 HD2 PRO 28 2.250 19.961 -12.097 183 HD3 PRO 28 HD3 PRO 28 3.926 19.767 -12.673 184 HA PRO 29 HA PRO 29 1.170 14.597 -8.586 185 HB2 PRO 29 HB2 PRO 29 1.831 15.390 -5.738 186 HB3 PRO 29 HB3 PRO 29 1.671 13.764 -6.444 187 HG2 PRO 29 HG2 PRO 29 4.086 14.772 -6.063 188 HG3 PRO 29 HG3 PRO 29 3.719 13.891 -7.565 189 HD2 PRO 29 HD2 PRO 29 4.033 16.849 -7.152 190 HD3 PRO 29 HD3 PRO 29 4.442 15.854 -8.568 191 H ALA 30 H ALA 30 0.673 16.775 -5.837 192 HA ALA 30 HA ALA 30 -1.461 18.288 -6.870 193 HB1 ALA 30 HB1 ALA 30 -2.766 16.189 -6.761 194 HB2 ALA 30 HB2 ALA 30 -3.399 17.371 -5.617 195 HB3 ALA 30 HB3 ALA 30 -2.399 16.027 -5.045 196 H LEU 31 H LEU 31 -1.296 20.128 -5.716 197 HA LEU 31 HA LEU 31 -0.421 20.247 -2.954 198 HB2 LEU 31 HB2 LEU 31 -1.579 22.355 -4.827 199 HB3 LEU 31 HB3 LEU 31 -1.196 22.689 -3.147 200 HG LEU 31 HG LEU 31 1.219 22.092 -3.646 201 HD11 LEU 31 HD11 LEU 31 0.941 20.735 -5.648 202 HD12 LEU 31 HD12 LEU 31 2.013 22.098 -5.966 203 HD13 LEU 31 HD13 LEU 31 0.344 22.136 -6.543 204 HD21 LEU 31 HD21 LEU 31 0.504 24.412 -3.479 205 HD22 LEU 31 HD22 LEU 31 0.053 24.428 -5.187 206 HD23 LEU 31 HD23 LEU 31 1.745 24.241 -4.717 207 H ILE 32 H ILE 32 -1.725 20.715 -1.183 208 HA ILE 32 HA ILE 32 -3.433 20.423 0.229 209 HB ILE 32 HB ILE 32 -5.248 21.330 -2.061 210 HG12 ILE 32 HG12 ILE 32 -3.897 22.978 0.133 211 HG13 ILE 32 HG13 ILE 32 -3.484 23.002 -1.578 212 HG21 ILE 32 HG21 ILE 32 -5.795 21.335 0.935 213 HG22 ILE 32 HG22 ILE 32 -6.529 20.247 -0.246 214 HG23 ILE 32 HG23 ILE 32 -6.869 21.978 -0.309 215 HD11 ILE 32 HD11 ILE 32 -6.081 23.957 -0.361 216 HD12 ILE 32 HD12 ILE 32 -5.691 23.951 -2.085 217 HD13 ILE 32 HD13 ILE 32 -4.765 24.957 -0.972 218 H VAL 33 H VAL 33 -2.760 18.198 0.042 219 HA VAL 33 HA VAL 33 -4.291 16.204 -1.322 220 HB VAL 33 HB VAL 33 -1.944 15.942 -0.362 221 HG11 VAL 33 HG11 VAL 33 -3.358 15.674 2.311 222 HG12 VAL 33 HG12 VAL 33 -2.290 16.991 1.825 223 HG13 VAL 33 HG13 VAL 33 -1.644 15.358 2.012 224 HG21 VAL 33 HG21 VAL 33 -2.183 13.570 0.310 225 HG22 VAL 33 HG22 VAL 33 -3.165 13.954 -1.106 226 HG23 VAL 33 HG23 VAL 33 -3.927 13.797 0.478 227 H ASP 34 H ASP 34 -5.587 14.489 0.119 228 HA ASP 34 HA ASP 34 -7.848 15.770 1.189 229 HB2 ASP 34 HB2 ASP 34 -7.807 13.443 0.210 230 HB3 ASP 34 HB3 ASP 34 -7.017 12.881 1.677 231 HA PRO 35 HA PRO 35 -5.924 16.525 5.280 232 HB2 PRO 35 HB2 PRO 35 -7.520 18.519 6.128 233 HB3 PRO 35 HB3 PRO 35 -6.457 18.771 4.723 234 HG2 PRO 35 HG2 PRO 35 -9.405 18.146 4.754 235 HG3 PRO 35 HG3 PRO 35 -8.524 19.352 3.784 236 HD2 PRO 35 HD2 PRO 35 -9.226 16.827 2.845 237 HD3 PRO 35 HD3 PRO 35 -7.886 17.793 2.191 238 H LEU 36 H LEU 36 -8.951 15.167 4.595 239 HA LEU 36 HA LEU 36 -9.934 14.996 7.343 240 HB2 LEU 36 HB2 LEU 36 -11.088 13.881 4.761 241 HB3 LEU 36 HB3 LEU 36 -11.908 13.929 6.317 242 HG LEU 36 HG LEU 36 -11.145 16.337 4.614 243 HD11 LEU 36 HD11 LEU 36 -13.557 16.659 4.336 244 HD12 LEU 36 HD12 LEU 36 -13.872 15.174 5.242 245 HD13 LEU 36 HD13 LEU 36 -13.032 15.106 3.690 246 HD21 LEU 36 HD21 LEU 36 -12.566 16.277 7.300 247 HD22 LEU 36 HD22 LEU 36 -12.370 17.696 6.267 248 HD23 LEU 36 HD23 LEU 36 -10.953 16.927 6.973 249 H MET 37 H MET 37 -7.912 13.268 5.256 250 HA MET 37 HA MET 37 -6.796 11.320 5.332 251 HB2 MET 37 HB2 MET 37 -6.481 12.043 7.756 252 HB3 MET 37 HB3 MET 37 -7.833 11.011 8.180 253 HG2 MET 37 HG2 MET 37 -6.558 9.036 7.406 254 HG3 MET 37 HG3 MET 37 -5.202 10.089 6.984 255 HE1 MET 37 HE1 MET 37 -7.411 8.657 9.920 256 HE2 MET 37 HE2 MET 37 -7.598 10.399 10.133 257 HE3 MET 37 HE3 MET 37 -6.695 9.460 11.317 258 H LYS 38 H LYS 38 -9.274 11.382 4.159 259 HA LYS 38 HA LYS 38 -10.873 9.070 4.746 260 HB2 LYS 38 HB2 LYS 38 -10.641 10.626 2.130 261 HB3 LYS 38 HB3 LYS 38 -11.930 9.507 2.558 262 HG2 LYS 38 HG2 LYS 38 -11.438 11.987 4.226 263 HG3 LYS 38 HG3 LYS 38 -12.325 12.089 2.712 264 HD2 LYS 38 HD2 LYS 38 -13.905 11.941 4.525 265 HD3 LYS 38 HD3 LYS 38 -13.983 10.450 3.589 266 HE2 LYS 38 HE2 LYS 38 -14.127 10.091 6.052 267 HE3 LYS 38 HE3 LYS 38 -12.761 9.250 5.324 268 HZ1 LYS 38 HZ1 LYS 38 -12.180 10.341 7.409 269 HZ2 LYS 38 HZ2 LYS 38 -12.605 11.842 6.762 270 HZ3 LYS 38 HZ3 LYS 38 -11.294 10.992 6.119 271 H TYR 39 H TYR 39 -10.330 7.023 4.311 272 HA TYR 39 HA TYR 39 -7.754 6.413 3.249 273 HB2 TYR 39 HB2 TYR 39 -10.013 4.560 4.132 274 HB3 TYR 39 HB3 TYR 39 -8.353 4.058 3.795 275 HD1 TYR 39 HD2 TYR 39 -6.612 5.926 5.081 276 HD2 TYR 39 HD1 TYR 39 -10.418 4.545 6.476 277 HE1 TYR 39 HE2 TYR 39 -5.954 6.445 7.386 278 HE2 TYR 39 HE1 TYR 39 -9.749 5.071 8.785 279 HH TYR 39 HH TYR 39 -6.925 6.896 9.527 280 H ILE 40 H ILE 40 -7.829 7.168 1.195 281 HA ILE 40 HA ILE 40 -9.396 5.741 -0.865 282 HB ILE 40 HB ILE 40 -8.055 8.488 -0.850 283 HG12 ILE 40 HG12 ILE 40 -10.999 7.727 -1.115 284 HG13 ILE 40 HG13 ILE 40 -10.238 8.455 0.296 285 HG21 ILE 40 HG21 ILE 40 -9.435 7.166 -3.205 286 HG22 ILE 40 HG22 ILE 40 -7.706 7.487 -3.057 287 HG23 ILE 40 HG23 ILE 40 -8.842 8.830 -3.151 288 HD11 ILE 40 HD11 ILE 40 -11.499 10.102 -0.946 289 HD12 ILE 40 HD12 ILE 40 -10.582 9.760 -2.412 290 HD13 ILE 40 HD13 ILE 40 -9.780 10.488 -1.016 291 H CYS 41 H CYS 41 -8.224 4.272 -1.987 292 HA CYS 41 HA CYS 41 -5.408 3.988 -1.835 293 HB2 CYS 41 HB2 CYS 41 -6.894 2.089 -2.346 294 HB3 CYS 41 HB3 CYS 41 -7.368 2.846 -3.861 295 H HIS 42 H HIS 42 -4.047 5.342 -2.651 296 HA HIS 42 HA HIS 42 -4.691 7.568 -4.254 297 HB2 HIS 42 HB2 HIS 42 -3.017 7.520 -2.418 298 HB3 HIS 42 HB3 HIS 42 -1.984 6.483 -3.388 299 HD1 HIS 42 HD1 HIS 42 -0.223 7.661 -4.659 300 HD2 HIS 42 HD2 HIS 42 -3.388 10.194 -3.719 301 HE1 HIS 42 HE1 HIS 42 0.494 9.944 -5.396 302 HE2 HIS 42 HE2 HIS 42 -1.439 11.454 -4.838 303 H ILE 43 H ILE 43 -3.954 4.432 -5.235 304 HA ILE 43 HA ILE 43 -2.971 5.224 -7.908 305 HB ILE 43 HB ILE 43 -2.949 2.527 -6.468 306 HG12 ILE 43 HG12 ILE 43 -0.676 4.328 -7.422 307 HG13 ILE 43 HG13 ILE 43 -1.222 4.178 -5.758 308 HG21 ILE 43 HG21 ILE 43 -3.396 2.106 -8.857 309 HG22 ILE 43 HG22 ILE 43 -1.763 1.589 -8.439 310 HG23 ILE 43 HG23 ILE 43 -2.014 3.104 -9.309 311 HD11 ILE 43 HD11 ILE 43 -0.499 1.838 -5.737 312 HD12 ILE 43 HD12 ILE 43 0.820 2.945 -6.120 313 HD13 ILE 43 HD13 ILE 43 0.066 2.000 -7.403 314 H CYS 44 H CYS 44 -5.712 3.871 -6.184 315 HA CYS 44 HA CYS 44 -7.103 2.960 -8.591 316 HB2 CYS 44 HB2 CYS 44 -7.994 2.974 -5.683 317 HB3 CYS 44 HB3 CYS 44 -8.855 2.209 -7.018 318 H ASN 45 H ASN 45 -6.879 5.791 -6.640 319 HA ASN 45 HA ASN 45 -7.840 7.823 -6.584 320 HB2 ASN 45 HB2 ASN 45 -7.964 7.801 -9.035 321 HB3 ASN 45 HB3 ASN 45 -9.485 6.929 -8.977 322 HD21 ASN 45 HD21 ASN 45 -11.388 8.062 -8.623 323 HD22 ASN 45 HD22 ASN 45 -11.462 9.788 -8.547 324 H ARG 46 H ARG 46 -9.550 4.992 -6.010 325 HA ARG 46 HA ARG 46 -11.264 6.405 -4.106 326 HB2 ARG 46 HB2 ARG 46 -13.111 4.646 -4.555 327 HB3 ARG 46 HB3 ARG 46 -12.937 5.953 -5.698 328 HG2 ARG 46 HG2 ARG 46 -13.430 3.895 -6.879 329 HG3 ARG 46 HG3 ARG 46 -11.808 4.445 -7.294 330 HD2 ARG 46 HD2 ARG 46 -10.781 2.698 -6.030 331 HD3 ARG 46 HD3 ARG 46 -12.271 2.329 -5.172 332 HE ARG 46 HE ARG 46 -12.882 0.949 -6.867 333 HH11 ARG 46 HH11 ARG 46 -10.333 3.025 -8.162 334 HH12 ARG 46 HH12 ARG 46 -10.221 2.131 -9.642 335 HH21 ARG 46 HH21 ARG 46 -12.659 -0.203 -8.773 336 HH22 ARG 46 HH22 ARG 46 -11.527 0.317 -9.982 337 H GLY 47 H GLY 47 -11.934 5.075 -2.299 338 HA2 GLY 47 HA2 GLY 47 -10.012 2.911 -1.645 339 HA3 GLY 47 HA3 GLY 47 -10.779 3.983 -0.481 340 H ASP 48 H ASP 48 -12.004 2.056 -3.192 341 HA ASP 48 HA ASP 48 -14.498 1.417 -2.078 342 HB2 ASP 48 HB2 ASP 48 -13.994 1.367 -4.499 343 HB3 ASP 48 HB3 ASP 48 -12.946 -0.023 -4.278 344 H VAL 49 H VAL 49 -11.441 -0.409 -1.985 345 HA VAL 49 HA VAL 49 -12.629 -2.224 0.046 346 HB VAL 49 HB VAL 49 -10.175 -2.766 -1.688 347 HG11 VAL 49 HG11 VAL 49 -11.635 -4.588 0.276 348 HG12 VAL 49 HG12 VAL 49 -10.035 -3.879 0.511 349 HG13 VAL 49 HG13 VAL 49 -10.290 -5.069 -0.765 350 HG21 VAL 49 HG21 VAL 49 -12.231 -2.833 -3.041 351 HG22 VAL 49 HG22 VAL 49 -12.968 -3.961 -1.899 352 HG23 VAL 49 HG23 VAL 49 -11.560 -4.454 -2.847 353 H GLU 50 H GLU 50 -12.256 -0.857 1.805 354 HA GLU 50 HA GLU 50 -9.694 0.214 2.513 355 HB2 GLU 50 HB2 GLU 50 -10.675 0.595 4.746 356 HB3 GLU 50 HB3 GLU 50 -11.772 1.135 3.476 357 HG2 GLU 50 HG2 GLU 50 -13.151 -0.856 3.755 358 HG3 GLU 50 HG3 GLU 50 -12.015 -1.527 4.925 359 H GLU 51 H GLU 51 -11.165 -2.919 2.804 360 HA GLU 51 HA GLU 51 -9.894 -4.014 5.037 361 HB2 GLU 51 HB2 GLU 51 -10.817 -5.521 2.551 362 HB3 GLU 51 HB3 GLU 51 -10.690 -6.156 4.195 363 HG2 GLU 51 HG2 GLU 51 -12.506 -4.677 4.931 364 HG3 GLU 51 HG3 GLU 51 -12.613 -3.968 3.320 365 H SER 52 H SER 52 -8.851 -3.945 1.653 366 HA SER 52 HA SER 52 -6.377 -5.446 2.268 367 HB2 SER 52 HB2 SER 52 -7.495 -4.616 -0.448 368 HB3 SER 52 HB3 SER 52 -6.162 -5.741 -0.150 369 HG SER 52 HG SER 52 -8.125 -6.678 1.254 370 H MET 53 H MET 53 -7.102 -2.497 2.841 371 HA MET 53 HA MET 53 -5.130 -1.065 1.223 372 HB2 MET 53 HB2 MET 53 -7.380 -0.102 1.418 373 HB3 MET 53 HB3 MET 53 -7.221 -0.038 3.166 374 HG2 MET 53 HG2 MET 53 -5.446 1.625 2.982 375 HG3 MET 53 HG3 MET 53 -5.486 1.504 1.218 376 HE1 MET 53 HE1 MET 53 -7.644 2.190 -0.237 377 HE2 MET 53 HE2 MET 53 -9.090 2.905 0.474 378 HE3 MET 53 HE3 MET 53 -8.701 1.214 0.789 379 H LEU 54 H LEU 54 -3.205 -0.783 1.974 380 HA LEU 54 HA LEU 54 -2.414 -1.005 4.758 381 HB2 LEU 54 HB2 LEU 54 -0.665 -0.348 2.355 382 HB3 LEU 54 HB3 LEU 54 -0.161 -1.019 3.901 383 HG LEU 54 HG LEU 54 -1.763 -2.466 1.749 384 HD11 LEU 54 HD11 LEU 54 0.567 -2.161 1.137 385 HD12 LEU 54 HD12 LEU 54 0.236 -3.855 1.486 386 HD13 LEU 54 HD13 LEU 54 1.094 -2.860 2.668 387 HD21 LEU 54 HD21 LEU 54 -1.524 -4.471 3.169 388 HD22 LEU 54 HD22 LEU 54 -2.478 -3.217 3.951 389 HD23 LEU 54 HD23 LEU 54 -0.803 -3.480 4.446 390 H LEU 55 H LEU 55 -1.435 0.721 5.896 391 HA LEU 55 HA LEU 55 -1.801 3.431 4.773 392 HB2 LEU 55 HB2 LEU 55 -2.676 2.280 7.346 393 HB3 LEU 55 HB3 LEU 55 -1.717 3.727 7.584 394 HG LEU 55 HG LEU 55 -4.101 4.274 7.504 395 HD11 LEU 55 HD11 LEU 55 -2.614 5.305 5.056 396 HD12 LEU 55 HD12 LEU 55 -2.521 5.960 6.694 397 HD13 LEU 55 HD13 LEU 55 -4.037 6.048 5.801 398 HD21 LEU 55 HD21 LEU 55 -4.124 3.135 4.680 399 HD22 LEU 55 HD22 LEU 55 -5.461 3.950 5.493 400 HD23 LEU 55 HD23 LEU 55 -4.884 2.401 6.097 401 H CYS 56 H CYS 56 -0.014 4.602 4.533 402 HA CYS 56 HA CYS 56 2.558 3.750 5.405 403 HB2 CYS 56 HB2 CYS 56 2.155 5.055 3.319 404 HB3 CYS 56 HB3 CYS 56 1.722 6.453 4.295 405 H ASP 57 H ASP 57 2.375 3.530 7.575 406 HA ASP 57 HA ASP 57 1.290 5.293 9.443 407 HB2 ASP 57 HB2 ASP 57 1.654 2.855 9.796 408 HB3 ASP 57 HB3 ASP 57 3.394 3.110 9.823 409 H GLY 58 H GLY 58 2.162 7.381 8.869 410 HA2 GLY 58 HA2 GLY 58 3.790 8.577 10.627 411 HA3 GLY 58 HA3 GLY 58 4.946 8.005 9.431 412 H CYS 59 H CYS 59 3.015 8.381 7.202 413 HA CYS 59 HA CYS 59 2.841 11.338 7.069 414 HB2 CYS 59 HB2 CYS 59 3.450 11.015 4.586 415 HB3 CYS 59 HB3 CYS 59 4.747 10.845 5.772 416 H ASP 60 H ASP 60 1.234 8.413 6.817 417 HA ASP 60 HA ASP 60 -0.850 7.737 6.393 418 HB2 ASP 60 HB2 ASP 60 -1.495 10.717 6.490 419 HB3 ASP 60 HB3 ASP 60 -2.714 9.445 6.478 420 H ASP 61 H ASP 61 0.015 6.985 4.356 421 HA ASP 61 HA ASP 61 -1.403 8.169 2.043 422 HB2 ASP 61 HB2 ASP 61 1.093 6.431 1.890 423 HB3 ASP 61 HB3 ASP 61 0.299 7.264 0.566 424 H SER 62 H SER 62 -3.063 6.892 1.402 425 HA SER 62 HA SER 62 -3.266 4.145 2.415 426 HB2 SER 62 HB2 SER 62 -5.344 5.927 1.075 427 HB3 SER 62 HB3 SER 62 -5.659 4.369 1.839 428 HG SER 62 HG SER 62 -4.350 6.030 3.523 429 H TYR 63 H TYR 63 -2.834 2.473 1.150 430 HA TYR 63 HA TYR 63 -3.200 2.538 -1.786 431 HB2 TYR 63 HB2 TYR 63 -0.666 1.669 -0.313 432 HB3 TYR 63 HB3 TYR 63 -0.999 1.254 -1.990 433 HD1 TYR 63 HD2 TYR 63 -1.109 3.070 -3.719 434 HD2 TYR 63 HD1 TYR 63 0.226 3.862 0.255 435 HE1 TYR 63 HE2 TYR 63 -0.064 5.158 -4.483 436 HE2 TYR 63 HE1 TYR 63 1.280 5.943 -0.514 437 HH TYR 63 HH TYR 63 2.147 6.917 -2.618 438 H HIS 64 H HIS 64 -3.378 0.340 -2.696 439 HA HIS 64 HA HIS 64 -4.137 -1.747 -0.730 440 HB2 HIS 64 HB2 HIS 64 -4.395 -1.730 -3.763 441 HB3 HIS 64 HB3 HIS 64 -4.892 -3.064 -2.735 442 HD2 HIS 64 HD2 HIS 64 -6.837 -1.955 -0.684 443 HE1 HIS 64 HE1 HIS 64 -8.676 0.111 -3.848 444 HE2 HIS 64 HE2 HIS 64 -9.025 -0.920 -1.590 445 H THR 65 H THR 65 -3.182 -3.855 -0.838 446 HA THR 65 HA THR 65 -0.422 -4.147 -1.146 447 HB THR 65 HB THR 65 -0.926 -6.654 -1.255 448 HG1 THR 65 HG1 THR 65 -3.045 -7.319 -1.227 449 HG21 THR 65 HG21 THR 65 -1.924 -6.816 1.004 450 HG22 THR 65 HG22 THR 65 -2.408 -5.121 0.914 451 HG23 THR 65 HG23 THR 65 -0.696 -5.547 0.942 452 H PHE 66 H PHE 66 -3.007 -4.970 -3.438 453 HA PHE 66 HA PHE 66 -1.230 -5.964 -5.470 454 HB2 PHE 66 HB2 PHE 66 -3.311 -6.262 -6.827 455 HB3 PHE 66 HB3 PHE 66 -3.403 -7.018 -5.246 456 HD1 PHE 66 HD2 PHE 66 -4.728 -4.284 -7.377 457 HD2 PHE 66 HD1 PHE 66 -5.000 -6.218 -3.553 458 HE1 PHE 66 HE2 PHE 66 -6.875 -3.161 -6.951 459 HE2 PHE 66 HE1 PHE 66 -7.149 -5.088 -3.151 460 HZ PHE 66 HZ PHE 66 -8.085 -3.565 -4.845 461 H CYS 67 H CYS 67 -2.429 -2.801 -4.706 462 HA CYS 67 HA CYS 67 -2.300 -1.673 -7.347 463 HB2 CYS 67 HB2 CYS 67 -2.451 -0.372 -4.596 464 HB3 CYS 67 HB3 CYS 67 -2.463 0.551 -6.108 465 H LEU 68 H LEU 68 -0.057 -2.098 -4.714 466 HA LEU 68 HA LEU 68 1.862 -0.108 -5.424 467 HB2 LEU 68 HB2 LEU 68 2.008 -2.563 -3.651 468 HB3 LEU 68 HB3 LEU 68 3.299 -1.371 -3.746 469 HG LEU 68 HG LEU 68 0.484 -0.532 -2.967 470 HD11 LEU 68 HD11 LEU 68 1.035 -2.356 -1.460 471 HD12 LEU 68 HD12 LEU 68 1.023 -0.812 -0.615 472 HD13 LEU 68 HD13 LEU 68 2.561 -1.575 -1.031 473 HD21 LEU 68 HD21 LEU 68 3.204 0.674 -2.325 474 HD22 LEU 68 HD22 LEU 68 1.632 1.324 -1.849 475 HD23 LEU 68 HD23 LEU 68 2.072 1.255 -3.552 476 H LEU 69 H LEU 69 3.861 -0.305 -6.408 477 HA LEU 69 HA LEU 69 4.661 -2.915 -7.573 478 HB2 LEU 69 HB2 LEU 69 5.302 -0.105 -8.578 479 HB3 LEU 69 HB3 LEU 69 6.107 -1.553 -9.148 480 HG LEU 69 HG LEU 69 3.774 -2.385 -9.906 481 HD11 LEU 69 HD11 LEU 69 2.081 -0.667 -10.385 482 HD12 LEU 69 HD12 LEU 69 3.059 0.536 -9.538 483 HD13 LEU 69 HD13 LEU 69 2.376 -0.830 -8.655 484 HD21 LEU 69 HD21 LEU 69 4.964 0.025 -11.307 485 HD22 LEU 69 HD22 LEU 69 3.892 -1.177 -12.031 486 HD23 LEU 69 HD23 LEU 69 5.499 -1.649 -11.485 487 HA PRO 70 HA PRO 70 5.994 -4.489 -7.247 488 HB2 PRO 70 HB2 PRO 70 7.063 -6.184 -5.391 489 HB3 PRO 70 HB3 PRO 70 8.074 -5.391 -6.622 490 HG2 PRO 70 HG2 PRO 70 7.658 -4.611 -3.743 491 HG3 PRO 70 HG3 PRO 70 9.169 -4.691 -4.678 492 HD2 PRO 70 HD2 PRO 70 7.824 -2.337 -4.247 493 HD3 PRO 70 HD3 PRO 70 8.821 -2.627 -5.689 494 HA PRO 71 HA PRO 71 2.238 -4.955 -4.775 495 HB2 PRO 71 HB2 PRO 71 1.895 -7.636 -6.059 496 HB3 PRO 71 HB3 PRO 71 0.854 -6.200 -6.162 497 HG2 PRO 71 HG2 PRO 71 2.323 -7.000 -8.264 498 HG3 PRO 71 HG3 PRO 71 2.047 -5.275 -7.920 499 HD2 PRO 71 HD2 PRO 71 4.492 -6.939 -7.314 500 HD3 PRO 71 HD3 PRO 71 4.391 -5.295 -7.987 501 H LEU 72 H LEU 72 1.803 -5.789 -2.817 502 HA LEU 72 HA LEU 72 3.652 -7.748 -1.668 503 HB2 LEU 72 HB2 LEU 72 1.509 -6.055 -0.317 504 HB3 LEU 72 HB3 LEU 72 2.704 -7.056 0.505 505 HG LEU 72 HG LEU 72 3.235 -4.520 -1.108 506 HD11 LEU 72 HD11 LEU 72 4.102 -3.615 0.995 507 HD12 LEU 72 HD12 LEU 72 3.670 -5.111 1.831 508 HD13 LEU 72 HD13 LEU 72 2.414 -4.088 1.137 509 HD21 LEU 72 HD21 LEU 72 5.626 -4.803 -0.538 510 HD22 LEU 72 HD22 LEU 72 5.033 -6.076 -1.597 511 HD23 LEU 72 HD23 LEU 72 5.275 -6.404 0.122 512 H THR 73 H THR 73 3.102 -9.793 -1.162 513 HA THR 73 HA THR 73 0.670 -10.926 -2.224 514 HB THR 73 HB THR 73 2.858 -12.110 -2.392 515 HG1 THR 73 HG1 THR 73 1.526 -13.732 -2.567 516 HG21 THR 73 HG21 THR 73 2.609 -12.536 0.609 517 HG22 THR 73 HG22 THR 73 3.827 -11.543 -0.194 518 HG23 THR 73 HG23 THR 73 3.810 -13.289 -0.446 519 H SER 74 H SER 74 1.496 -9.548 0.733 520 HA SER 74 HA SER 74 -0.853 -10.528 2.138 521 HB2 SER 74 HB2 SER 74 0.564 -11.184 4.150 522 HB3 SER 74 HB3 SER 74 0.748 -12.245 2.755 523 HG SER 74 HG SER 74 2.571 -10.451 3.878 524 H ILE 75 H ILE 75 -1.257 -9.305 4.096 525 HA ILE 75 HA ILE 75 -0.517 -6.507 3.949 526 HB ILE 75 HB ILE 75 -2.342 -8.024 5.876 527 HG12 ILE 75 HG12 ILE 75 -3.031 -6.189 3.523 528 HG13 ILE 75 HG13 ILE 75 -3.177 -7.946 3.531 529 HG21 ILE 75 HG21 ILE 75 -1.964 -5.012 5.656 530 HG22 ILE 75 HG22 ILE 75 -1.436 -6.022 7.001 531 HG23 ILE 75 HG23 ILE 75 -3.156 -5.828 6.666 532 HD11 ILE 75 HD11 ILE 75 -4.758 -6.024 5.242 533 HD12 ILE 75 HD12 ILE 75 -4.890 -7.786 5.273 534 HD13 ILE 75 HD13 ILE 75 -5.333 -6.895 3.819 535 HA PRO 76 HA PRO 76 2.814 -7.308 7.017 536 HB2 PRO 76 HB2 PRO 76 4.215 -5.014 6.668 537 HB3 PRO 76 HB3 PRO 76 4.207 -6.275 5.410 538 HG2 PRO 76 HG2 PRO 76 2.610 -3.723 5.531 539 HG3 PRO 76 HG3 PRO 76 3.472 -4.442 4.150 540 HD2 PRO 76 HD2 PRO 76 0.755 -4.727 4.566 541 HD3 PRO 76 HD3 PRO 76 1.735 -5.889 3.648 542 H LYS 77 H LYS 77 0.514 -6.915 8.210 543 HA LYS 77 HA LYS 77 -0.449 -6.354 10.145 544 HB2 LYS 77 HB2 LYS 77 1.844 -6.337 11.100 545 HB3 LYS 77 HB3 LYS 77 1.988 -4.628 10.713 546 HG2 LYS 77 HG2 LYS 77 0.150 -4.117 12.292 547 HG3 LYS 77 HG3 LYS 77 -0.010 -5.838 12.653 548 HD2 LYS 77 HD2 LYS 77 2.326 -5.833 13.541 549 HD3 LYS 77 HD3 LYS 77 2.414 -4.093 13.237 550 HE2 LYS 77 HE2 LYS 77 1.919 -4.576 15.609 551 HE3 LYS 77 HE3 LYS 77 0.585 -3.712 14.843 552 HZ1 LYS 77 HZ1 LYS 77 0.673 -6.659 15.249 553 HZ2 LYS 77 HZ2 LYS 77 -0.629 -5.762 14.653 554 HZ3 LYS 77 HZ3 LYS 77 -0.143 -5.572 16.256 555 H GLY 78 H GLY 78 0.485 -3.762 8.002 556 HA2 GLY 78 HA2 GLY 78 -0.989 -1.952 7.465 557 HA3 GLY 78 HA3 GLY 78 -1.621 -1.988 9.107 558 H GLU 79 H GLU 79 1.032 -2.254 10.350 559 HA GLU 79 HA GLU 79 2.030 0.449 10.318 560 HB2 GLU 79 HB2 GLU 79 2.129 -0.954 12.388 561 HB3 GLU 79 HB3 GLU 79 3.243 -2.057 11.581 562 HG2 GLU 79 HG2 GLU 79 4.833 -0.096 11.308 563 HG3 GLU 79 HG3 GLU 79 3.758 0.841 12.343 564 H TRP 80 H TRP 80 2.670 0.861 8.268 565 HA TRP 80 HA TRP 80 4.934 -0.562 7.038 566 HB2 TRP 80 HB2 TRP 80 3.079 -1.828 6.198 567 HB3 TRP 80 HB3 TRP 80 2.078 -0.401 6.002 568 HD1 TRP 80 HD1 TRP 80 5.016 -2.244 4.262 569 HE1 TRP 80 HE1 TRP 80 4.964 -1.584 1.777 570 HE3 TRP 80 HE3 TRP 80 1.391 1.340 4.459 571 HZ2 TRP 80 HZ2 TRP 80 3.576 0.236 0.121 572 HZ3 TRP 80 HZ3 TRP 80 0.751 2.513 2.385 573 HH2 TRP 80 HH2 TRP 80 1.829 1.968 0.255 574 H LEU 81 H LEU 81 5.949 0.673 5.359 575 HA LEU 81 HA LEU 81 5.169 3.535 5.175 576 HB2 LEU 81 HB2 LEU 81 7.967 2.341 5.119 577 HB3 LEU 81 HB3 LEU 81 7.598 4.034 4.813 578 HG LEU 81 HG LEU 81 7.144 2.576 7.457 579 HD11 LEU 81 HD11 LEU 81 9.523 2.922 7.020 580 HD12 LEU 81 HD12 LEU 81 8.962 3.941 8.342 581 HD13 LEU 81 HD13 LEU 81 9.241 4.646 6.747 582 HD21 LEU 81 HD21 LEU 81 6.598 4.792 8.382 583 HD22 LEU 81 HD22 LEU 81 5.464 4.333 7.119 584 HD23 LEU 81 HD23 LEU 81 6.732 5.512 6.772 585 H CYS 82 H CYS 82 4.773 4.272 3.199 586 HA CYS 82 HA CYS 82 4.633 2.575 0.937 587 HB2 CYS 82 HB2 CYS 82 3.979 4.708 -0.275 588 HB3 CYS 82 HB3 CYS 82 3.007 4.346 1.151 589 HA PRO 83 HA PRO 83 8.752 2.755 -0.824 590 HB2 PRO 83 HB2 PRO 83 7.380 3.106 -3.492 591 HB3 PRO 83 HB3 PRO 83 8.594 1.907 -2.995 592 HG2 PRO 83 HG2 PRO 83 6.054 1.173 -3.235 593 HG3 PRO 83 HG3 PRO 83 7.038 0.570 -1.882 594 HD2 PRO 83 HD2 PRO 83 4.936 2.729 -1.859 595 HD3 PRO 83 HD3 PRO 83 5.271 1.468 -0.650 596 H ARG 84 H ARG 84 6.404 5.187 -1.816 597 HA ARG 84 HA ARG 84 8.211 7.065 -2.942 598 HB2 ARG 84 HB2 ARG 84 5.444 7.556 -1.753 599 HB3 ARG 84 HB3 ARG 84 6.333 8.689 -2.765 600 HG2 ARG 84 HG2 ARG 84 5.140 6.021 -3.590 601 HG3 ARG 84 HG3 ARG 84 4.637 7.635 -4.102 602 HD2 ARG 84 HD2 ARG 84 7.207 6.188 -4.830 603 HD3 ARG 84 HD3 ARG 84 5.874 6.612 -5.905 604 HE ARG 84 HE ARG 84 7.039 8.914 -4.670 605 HH11 ARG 84 HH11 ARG 84 7.489 6.688 -7.368 606 HH12 ARG 84 HH12 ARG 84 8.424 7.826 -8.285 607 HH21 ARG 84 HH21 ARG 84 8.324 10.325 -5.846 608 HH22 ARG 84 HH22 ARG 84 8.897 9.888 -7.424 609 H CYS 85 H CYS 85 7.054 6.536 0.379 610 HA CYS 85 HA CYS 85 8.409 8.899 1.383 611 HB2 CYS 85 HB2 CYS 85 6.882 6.685 2.800 612 HB3 CYS 85 HB3 CYS 85 7.567 8.098 3.621 613 H VAL 86 H VAL 86 9.107 5.479 1.008 614 HA VAL 86 HA VAL 86 11.263 5.299 2.867 615 HB VAL 86 HB VAL 86 10.754 3.608 0.374 616 HG11 VAL 86 HG11 VAL 86 12.248 1.925 1.459 617 HG12 VAL 86 HG12 VAL 86 12.612 3.095 2.731 618 HG13 VAL 86 HG13 VAL 86 13.098 3.421 1.066 619 HG21 VAL 86 HG21 VAL 86 9.780 1.939 1.953 620 HG22 VAL 86 HG22 VAL 86 8.890 3.462 1.990 621 HG23 VAL 86 HG23 VAL 86 10.020 3.073 3.287 622 H VAL 87 H VAL 87 11.153 5.904 -0.655 623 HA VAL 87 HA VAL 87 13.938 6.657 -0.848 624 HB VAL 87 HB VAL 87 11.678 7.246 -2.824 625 HG11 VAL 87 HG11 VAL 87 13.463 7.439 -4.535 626 HG12 VAL 87 HG12 VAL 87 14.690 7.169 -3.293 627 HG13 VAL 87 HG13 VAL 87 13.688 8.621 -3.244 628 HG21 VAL 87 HG21 VAL 87 13.553 4.845 -2.775 629 HG22 VAL 87 HG22 VAL 87 12.380 5.207 -4.045 630 HG23 VAL 87 HG23 VAL 87 11.824 4.820 -2.414 631 H GLU 88 H GLU 88 11.044 8.149 0.137 632 HA GLU 88 HA GLU 88 10.361 10.044 0.913 633 HB2 GLU 88 HB2 GLU 88 12.625 10.230 2.021 634 HB3 GLU 88 HB3 GLU 88 13.154 11.199 0.642 635 HG2 GLU 88 HG2 GLU 88 11.219 12.738 1.133 636 HG3 GLU 88 HG3 GLU 88 10.976 11.859 2.638 637 H GLU 89 H GLU 89 9.071 11.364 -0.174 638 HA GLU 89 HA GLU 89 9.302 12.068 -2.893 639 HB2 GLU 89 HB2 GLU 89 7.633 13.243 -0.617 640 HB3 GLU 89 HB3 GLU 89 7.474 13.787 -2.285 641 HG2 GLU 89 HG2 GLU 89 7.058 10.901 -1.426 642 HG3 GLU 89 HG3 GLU 89 5.756 12.093 -1.524 643 H VAL 90 H VAL 90 10.482 13.599 -3.864 644 HA VAL 90 HA VAL 90 12.386 15.178 -2.612 645 HB VAL 90 HB VAL 90 12.671 16.369 -4.771 646 HG11 VAL 90 HG11 VAL 90 12.305 13.367 -5.126 647 HG12 VAL 90 HG12 VAL 90 13.737 14.166 -4.472 648 HG13 VAL 90 HG13 VAL 90 13.281 14.419 -6.156 649 HG21 VAL 90 HG21 VAL 90 10.319 16.596 -5.489 650 HG22 VAL 90 HG22 VAL 90 10.215 14.853 -5.740 651 HG23 VAL 90 HG23 VAL 90 11.285 15.827 -6.752 652 H SER 91 H SER 91 12.296 17.037 -1.523 653 HA SER 91 HA SER 91 9.681 18.124 -0.883 654 HB2 SER 91 HB2 SER 91 10.947 19.243 0.976 655 HB3 SER 91 HB3 SER 91 11.187 17.495 0.926 656 HG SER 91 HG SER 91 12.996 19.229 -0.382 657 H LYS 92 H LYS 92 10.159 18.887 -3.426 658 HA LYS 92 HA LYS 92 10.416 20.489 -4.954 659 HB2 LYS 92 HB2 LYS 92 8.713 21.698 -3.729 660 HB3 LYS 92 HB3 LYS 92 9.889 22.290 -2.565 661 HG2 LYS 92 HG2 LYS 92 9.171 24.046 -4.160 662 HG3 LYS 92 HG3 LYS 92 10.909 23.735 -4.237 663 HD2 LYS 92 HD2 LYS 92 10.505 22.290 -6.272 664 HD3 LYS 92 HD3 LYS 92 8.800 22.754 -6.223 665 HE2 LYS 92 HE2 LYS 92 9.401 25.089 -6.611 666 HE3 LYS 92 HE3 LYS 92 11.117 24.695 -6.515 667 HZ1 LYS 92 HZ1 LYS 92 10.782 23.255 -8.476 668 HZ2 LYS 92 HZ2 LYS 92 10.522 24.895 -8.780 669 HZ3 LYS 92 HZ3 LYS 92 9.203 23.849 -8.611 670 HA PRO 93 HA PRO 93 14.959 21.155 -4.350 671 HB2 PRO 93 HB2 PRO 93 15.627 20.732 -6.995 672 HB3 PRO 93 HB3 PRO 93 15.383 19.399 -5.847 673 HG2 PRO 93 HG2 PRO 93 13.449 20.501 -7.875 674 HG3 PRO 93 HG3 PRO 93 13.842 18.803 -7.505 675 HD2 PRO 93 HD2 PRO 93 11.617 19.985 -6.503 676 HD3 PRO 93 HD3 PRO 93 12.521 18.769 -5.573 677 H GLN 94 H GLN 94 16.201 22.980 -4.871 678 HA GLN 94 HA GLN 94 14.787 25.321 -5.809 679 HB2 GLN 94 HB2 GLN 94 16.531 25.113 -3.835 680 HB3 GLN 94 HB3 GLN 94 17.747 25.255 -5.092 681 HG2 GLN 94 HG2 GLN 94 15.619 27.318 -4.402 682 HG3 GLN 94 HG3 GLN 94 17.326 27.409 -3.984 683 HE21 GLN 94 HE21 GLN 94 14.965 27.806 -6.487 684 HE22 GLN 94 HE22 GLN 94 16.002 28.552 -7.650 Start of MODEL 3 1 H1 SER 1 H1 SER 1 -4.393 73.794 -61.733 2 H2 SER 1 H2 SER 1 -5.620 74.870 -62.168 3 H3 SER 1 H3 SER 1 -4.032 75.165 -62.652 4 HA SER 1 HA SER 1 -5.377 74.341 -64.462 5 HB2 SER 1 HB2 SER 1 -3.182 72.444 -63.504 6 HB3 SER 1 HB3 SER 1 -3.800 72.522 -65.157 7 HG SER 1 HG SER 1 -2.105 74.260 -63.805 8 H HIS 2 H HIS 2 -6.961 72.943 -65.184 9 HA HIS 2 HA HIS 2 -8.363 71.255 -63.362 10 HB2 HIS 2 HB2 HIS 2 -9.522 72.401 -65.240 11 HB3 HIS 2 HB3 HIS 2 -8.610 71.450 -66.405 12 HD2 HIS 2 HD2 HIS 2 -11.602 71.031 -63.919 13 HE1 HIS 2 HE1 HIS 2 -11.307 67.563 -66.325 14 HE2 HIS 2 HE2 HIS 2 -12.708 68.796 -64.614 15 H MET 3 H MET 3 -7.476 69.426 -62.665 16 HA MET 3 HA MET 3 -6.066 67.596 -64.520 17 HB2 MET 3 HB2 MET 3 -4.687 68.265 -62.612 18 HB3 MET 3 HB3 MET 3 -5.958 67.843 -61.477 19 HG2 MET 3 HG2 MET 3 -4.439 66.073 -61.283 20 HG3 MET 3 HG3 MET 3 -5.654 65.413 -62.369 21 HE1 MET 3 HE1 MET 3 -5.020 66.168 -65.316 22 HE2 MET 3 HE2 MET 3 -5.135 64.508 -64.733 23 HE3 MET 3 HE3 MET 3 -3.754 65.002 -65.708 24 H SER 4 H SER 4 -7.391 66.053 -65.265 25 HA SER 4 HA SER 4 -9.726 65.114 -63.855 26 HB2 SER 4 HB2 SER 4 -8.412 64.029 -66.393 27 HB3 SER 4 HB3 SER 4 -10.002 63.568 -65.774 28 HG SER 4 HG SER 4 -9.483 66.286 -66.203 29 H GLY 5 H GLY 5 -8.648 64.509 -61.897 30 HA2 GLY 5 HA2 GLY 5 -7.115 61.958 -61.983 31 HA3 GLY 5 HA3 GLY 5 -6.985 63.175 -60.718 32 H GLY 6 H GLY 6 -7.984 60.200 -61.022 33 HA2 GLY 6 HA2 GLY 6 -10.689 60.344 -59.920 34 HA3 GLY 6 HA3 GLY 6 -9.778 58.896 -60.316 35 H SER 7 H SER 7 -11.318 59.620 -57.936 36 HA SER 7 HA SER 7 -9.266 58.912 -55.914 37 HB2 SER 7 HB2 SER 7 -11.847 60.476 -55.415 38 HB3 SER 7 HB3 SER 7 -10.655 60.011 -54.199 39 HG SER 7 HG SER 7 -9.256 61.265 -55.954 40 HA PRO 8 HA PRO 8 -12.095 55.303 -56.768 41 HB2 PRO 8 HB2 PRO 8 -9.761 53.771 -55.654 42 HB3 PRO 8 HB3 PRO 8 -10.626 53.548 -57.192 43 HG2 PRO 8 HG2 PRO 8 -8.164 54.587 -57.159 44 HG3 PRO 8 HG3 PRO 8 -9.396 55.204 -58.288 45 HD2 PRO 8 HD2 PRO 8 -8.482 56.386 -55.665 46 HD3 PRO 8 HD3 PRO 8 -8.771 57.194 -57.224 47 H LEU 9 H LEU 9 -13.631 54.855 -55.341 48 HA LEU 9 HA LEU 9 -13.285 55.015 -52.475 49 HB2 LEU 9 HB2 LEU 9 -15.697 54.220 -54.170 50 HB3 LEU 9 HB3 LEU 9 -15.714 54.297 -52.417 51 HG LEU 9 HG LEU 9 -15.185 56.786 -52.604 52 HD11 LEU 9 HD11 LEU 9 -15.657 57.948 -54.702 53 HD12 LEU 9 HD12 LEU 9 -15.851 56.400 -55.529 54 HD13 LEU 9 HD13 LEU 9 -14.281 56.860 -54.868 55 HD21 LEU 9 HD21 LEU 9 -17.498 57.430 -53.092 56 HD22 LEU 9 HD22 LEU 9 -17.437 55.976 -52.099 57 HD23 LEU 9 HD23 LEU 9 -17.798 55.848 -53.823 58 H ALA 10 H ALA 10 -11.549 53.325 -52.578 59 HA ALA 10 HA ALA 10 -12.106 50.608 -53.219 60 HB1 ALA 10 HB1 ALA 10 -9.935 50.105 -52.150 61 HB2 ALA 10 HB2 ALA 10 -9.869 51.747 -51.504 62 HB3 ALA 10 HB3 ALA 10 -9.808 51.483 -53.247 63 H THR 11 H THR 11 -13.823 49.736 -52.156 64 HA THR 11 HA THR 11 -14.069 50.099 -49.225 65 HB THR 11 HB THR 11 -15.843 51.266 -50.448 66 HG1 THR 11 HG1 THR 11 -16.372 50.291 -48.441 67 HG21 THR 11 HG21 THR 11 -16.641 48.557 -51.593 68 HG22 THR 11 HG22 THR 11 -15.959 49.900 -52.514 69 HG23 THR 11 HG23 THR 11 -17.550 50.060 -51.769 70 H GLY 12 H GLY 12 -14.827 48.429 -47.981 71 HA2 GLY 12 HA2 GLY 12 -15.370 45.786 -49.031 72 HA3 GLY 12 HA3 GLY 12 -13.855 45.930 -48.136 73 H THR 13 H THR 13 -17.147 47.224 -47.785 74 HA THR 13 HA THR 13 -17.034 47.196 -44.921 75 HB THR 13 HB THR 13 -19.440 47.974 -45.081 76 HG1 THR 13 HG1 THR 13 -20.168 47.088 -46.962 77 HG21 THR 13 HG21 THR 13 -17.479 49.509 -46.827 78 HG22 THR 13 HG22 THR 13 -17.596 49.626 -45.068 79 HG23 THR 13 HG23 THR 13 -18.936 50.168 -46.081 80 H THR 14 H THR 14 -16.635 44.987 -44.494 81 HA THR 14 HA THR 14 -19.035 43.226 -44.501 82 HB THR 14 HB THR 14 -17.381 41.290 -44.419 83 HG1 THR 14 HG1 THR 14 -15.288 42.613 -45.536 84 HG21 THR 14 HG21 THR 14 -17.164 43.038 -46.908 85 HG22 THR 14 HG22 THR 14 -18.448 41.874 -46.577 86 HG23 THR 14 HG23 THR 14 -16.795 41.311 -46.827 87 H ALA 15 H ALA 15 -19.787 42.954 -42.491 88 HA ALA 15 HA ALA 15 -17.981 43.033 -40.139 89 HB1 ALA 15 HB1 ALA 15 -19.611 44.441 -38.945 90 HB2 ALA 15 HB2 ALA 15 -20.643 44.497 -40.376 91 HB3 ALA 15 HB3 ALA 15 -19.052 45.258 -40.406 92 H ASN 16 H ASN 16 -19.298 40.830 -41.668 93 HA ASN 16 HA ASN 16 -21.691 39.970 -40.388 94 HB2 ASN 16 HB2 ASN 16 -19.728 38.293 -42.018 95 HB3 ASN 16 HB3 ASN 16 -21.390 37.855 -41.627 96 HD21 ASN 16 HD21 ASN 16 -22.108 37.703 -43.725 97 HD22 ASN 16 HD22 ASN 16 -22.205 39.046 -44.807 98 H THR 17 H THR 17 -21.979 38.805 -38.591 99 HA THR 17 HA THR 17 -19.684 37.943 -36.976 100 HB THR 17 HB THR 17 -21.447 37.666 -35.166 101 HG1 THR 17 HG1 THR 17 -23.532 38.224 -35.563 102 HG21 THR 17 HG21 THR 17 -20.187 39.792 -35.352 103 HG22 THR 17 HG22 THR 17 -21.842 40.079 -34.813 104 HG23 THR 17 HG23 THR 17 -21.394 40.410 -36.487 105 H ARG 18 H ARG 18 -19.001 35.912 -37.329 106 HA ARG 18 HA ARG 18 -20.803 33.855 -38.443 107 HB2 ARG 18 HB2 ARG 18 -18.587 34.463 -39.534 108 HB3 ARG 18 HB3 ARG 18 -17.772 33.769 -38.139 109 HG2 ARG 18 HG2 ARG 18 -18.800 31.556 -38.677 110 HG3 ARG 18 HG3 ARG 18 -19.570 32.283 -40.092 111 HD2 ARG 18 HD2 ARG 18 -16.606 31.896 -39.594 112 HD3 ARG 18 HD3 ARG 18 -17.599 31.143 -40.847 113 HE ARG 18 HE ARG 18 -17.242 34.071 -40.819 114 HH11 ARG 18 HH11 ARG 18 -16.671 31.008 -42.502 115 HH12 ARG 18 HH12 ARG 18 -16.142 31.796 -43.956 116 HH21 ARG 18 HH21 ARG 18 -16.512 35.052 -42.673 117 HH22 ARG 18 HH22 ARG 18 -16.049 34.101 -44.046 118 H GLY 19 H GLY 19 -19.665 34.771 -35.405 119 HA2 GLY 19 HA2 GLY 19 -19.003 32.143 -34.330 120 HA3 GLY 19 HA3 GLY 19 -18.997 33.675 -33.469 121 H ALA 20 H ALA 20 -21.494 31.765 -35.185 122 HA ALA 20 HA ALA 20 -23.463 32.184 -33.087 123 HB1 ALA 20 HB1 ALA 20 -24.157 32.209 -35.447 124 HB2 ALA 20 HB2 ALA 20 -24.950 30.887 -34.588 125 HB3 ALA 20 HB3 ALA 20 -23.583 30.554 -35.656 126 H SER 21 H SER 21 -22.216 31.209 -31.408 127 HA SER 21 HA SER 21 -22.503 28.294 -31.188 128 HB2 SER 21 HB2 SER 21 -19.855 29.722 -30.623 129 HB3 SER 21 HB3 SER 21 -20.178 27.999 -30.431 130 HG SER 21 HG SER 21 -20.788 28.330 -32.847 131 H GLN 22 H GLN 22 -24.037 28.505 -29.577 132 HA GLN 22 HA GLN 22 -23.147 29.596 -26.976 133 HB2 GLN 22 HB2 GLN 22 -24.559 31.337 -28.043 134 HB3 GLN 22 HB3 GLN 22 -25.856 30.166 -28.277 135 HG2 GLN 22 HG2 GLN 22 -26.006 29.917 -25.775 136 HG3 GLN 22 HG3 GLN 22 -24.801 31.195 -25.616 137 HE21 GLN 22 HE21 GLN 22 -25.392 33.343 -26.161 138 HE22 GLN 22 HE22 GLN 22 -27.048 33.819 -26.291 139 H LYS 23 H LYS 23 -23.264 27.944 -25.572 140 HA LYS 23 HA LYS 23 -25.527 26.019 -25.728 141 HB2 LYS 23 HB2 LYS 23 -24.037 24.288 -24.810 142 HB3 LYS 23 HB3 LYS 23 -23.362 24.931 -26.304 143 HG2 LYS 23 HG2 LYS 23 -21.782 26.308 -25.025 144 HG3 LYS 23 HG3 LYS 23 -22.481 25.735 -23.511 145 HD2 LYS 23 HD2 LYS 23 -21.764 23.405 -24.137 146 HD3 LYS 23 HD3 LYS 23 -20.949 24.083 -25.555 147 HE2 LYS 23 HE2 LYS 23 -19.376 23.729 -23.674 148 HE3 LYS 23 HE3 LYS 23 -19.502 25.437 -24.097 149 HZ1 LYS 23 HZ1 LYS 23 -20.928 24.121 -21.837 150 HZ2 LYS 23 HZ2 LYS 23 -20.994 25.766 -22.227 151 HZ3 LYS 23 HZ3 LYS 23 -19.542 25.082 -21.697 152 H LYS 24 H LYS 24 -26.645 25.664 -23.852 153 HA LYS 24 HA LYS 24 -25.626 26.716 -21.298 154 HB2 LYS 24 HB2 LYS 24 -28.419 27.313 -22.389 155 HB3 LYS 24 HB3 LYS 24 -27.892 27.643 -20.738 156 HG2 LYS 24 HG2 LYS 24 -26.086 29.152 -21.735 157 HG3 LYS 24 HG3 LYS 24 -26.889 28.951 -23.293 158 HD2 LYS 24 HD2 LYS 24 -28.170 30.118 -20.792 159 HD3 LYS 24 HD3 LYS 24 -27.531 31.057 -22.141 160 HE2 LYS 24 HE2 LYS 24 -29.209 30.076 -23.645 161 HE3 LYS 24 HE3 LYS 24 -29.834 29.077 -22.327 162 HZ1 LYS 24 HZ1 LYS 24 -31.179 31.064 -22.657 163 HZ2 LYS 24 HZ2 LYS 24 -29.836 32.052 -22.384 164 HZ3 LYS 24 HZ3 LYS 24 -30.440 31.089 -21.135 165 H GLY 25 H GLY 25 -25.985 25.410 -19.639 166 HA2 GLY 25 HA2 GLY 25 -27.778 23.669 -18.815 167 HA3 GLY 25 HA3 GLY 25 -27.147 22.762 -20.193 168 H GLY 26 H GLY 26 -25.532 21.394 -19.707 169 HA2 GLY 26 HA2 GLY 26 -23.590 20.552 -18.820 170 HA3 GLY 26 HA3 GLY 26 -23.278 22.125 -18.103 171 H GLU 27 H GLU 27 -25.491 19.358 -17.737 172 HA GLU 27 HA GLU 27 -26.083 19.693 -14.988 173 HB2 GLU 27 HB2 GLU 27 -27.490 18.336 -16.538 174 HB3 GLU 27 HB3 GLU 27 -26.188 17.158 -16.694 175 HG2 GLU 27 HG2 GLU 27 -26.373 16.751 -14.197 176 HG3 GLU 27 HG3 GLU 27 -27.804 17.779 -14.194 177 HA PRO 28 HA PRO 28 -21.908 18.326 -13.693 178 HB2 PRO 28 HB2 PRO 28 -22.139 18.851 -11.005 179 HB3 PRO 28 HB3 PRO 28 -21.919 20.136 -12.211 180 HG2 PRO 28 HG2 PRO 28 -24.458 19.217 -10.893 181 HG3 PRO 28 HG3 PRO 28 -23.881 20.872 -11.193 182 HD2 PRO 28 HD2 PRO 28 -25.713 19.657 -12.809 183 HD3 PRO 28 HD3 PRO 28 -24.548 20.853 -13.420 184 HA PRO 29 HA PRO 29 -22.868 14.066 -12.473 185 HB2 PRO 29 HB2 PRO 29 -20.334 13.238 -11.710 186 HB3 PRO 29 HB3 PRO 29 -20.833 13.422 -13.405 187 HG2 PRO 29 HG2 PRO 29 -19.260 15.318 -11.692 188 HG3 PRO 29 HG3 PRO 29 -18.988 14.847 -13.385 189 HD2 PRO 29 HD2 PRO 29 -20.183 17.193 -12.714 190 HD3 PRO 29 HD3 PRO 29 -20.624 16.309 -14.191 191 H ALA 30 H ALA 30 -24.056 13.859 -10.669 192 HA ALA 30 HA ALA 30 -23.475 14.993 -8.107 193 HB1 ALA 30 HB1 ALA 30 -25.570 12.928 -8.881 194 HB2 ALA 30 HB2 ALA 30 -25.775 14.681 -8.933 195 HB3 ALA 30 HB3 ALA 30 -25.539 13.869 -7.384 196 H LEU 31 H LEU 31 -22.467 12.077 -9.593 197 HA LEU 31 HA LEU 31 -22.133 10.451 -7.266 198 HB2 LEU 31 HB2 LEU 31 -22.265 9.706 -9.727 199 HB3 LEU 31 HB3 LEU 31 -20.592 10.197 -9.884 200 HG LEU 31 HG LEU 31 -21.496 8.074 -7.877 201 HD11 LEU 31 HD11 LEU 31 -22.144 7.340 -10.118 202 HD12 LEU 31 HD12 LEU 31 -20.837 6.349 -9.477 203 HD13 LEU 31 HD13 LEU 31 -20.492 7.581 -10.696 204 HD21 LEU 31 HD21 LEU 31 -18.735 8.625 -9.038 205 HD22 LEU 31 HD22 LEU 31 -19.150 7.323 -7.919 206 HD23 LEU 31 HD23 LEU 31 -19.269 8.999 -7.394 207 H ILE 32 H ILE 32 -20.694 10.758 -5.712 208 HA ILE 32 HA ILE 32 -18.101 12.118 -6.245 209 HB ILE 32 HB ILE 32 -18.150 12.861 -3.834 210 HG12 ILE 32 HG12 ILE 32 -21.036 11.841 -3.896 211 HG13 ILE 32 HG13 ILE 32 -19.728 11.216 -2.900 212 HG21 ILE 32 HG21 ILE 32 -20.469 13.891 -5.514 213 HG22 ILE 32 HG22 ILE 32 -18.788 14.412 -5.638 214 HG23 ILE 32 HG23 ILE 32 -19.704 14.747 -4.169 215 HD11 ILE 32 HD11 ILE 32 -20.993 13.945 -2.650 216 HD12 ILE 32 HD12 ILE 32 -19.647 13.341 -1.679 217 HD13 ILE 32 HD13 ILE 32 -21.222 12.561 -1.581 218 H VAL 33 H VAL 33 -16.271 11.141 -5.412 219 HA VAL 33 HA VAL 33 -16.445 8.284 -5.002 220 HB VAL 33 HB VAL 33 -13.974 8.292 -5.093 221 HG11 VAL 33 HG11 VAL 33 -13.716 9.068 -7.423 222 HG12 VAL 33 HG12 VAL 33 -15.239 9.956 -7.310 223 HG13 VAL 33 HG13 VAL 33 -15.233 8.194 -7.198 224 HG21 VAL 33 HG21 VAL 33 -14.157 11.332 -5.293 225 HG22 VAL 33 HG22 VAL 33 -12.690 10.368 -5.494 226 HG23 VAL 33 HG23 VAL 33 -13.504 10.419 -3.929 227 H ASP 34 H ASP 34 -15.963 11.058 -2.998 228 HA ASP 34 HA ASP 34 -16.016 9.356 -0.608 229 HB2 ASP 34 HB2 ASP 34 -13.649 9.900 -0.830 230 HB3 ASP 34 HB3 ASP 34 -14.015 11.609 -1.073 231 HA PRO 35 HA PRO 35 -18.955 12.740 0.305 232 HB2 PRO 35 HB2 PRO 35 -20.724 11.287 1.761 233 HB3 PRO 35 HB3 PRO 35 -20.645 11.141 -0.007 234 HG2 PRO 35 HG2 PRO 35 -19.598 9.278 2.083 235 HG3 PRO 35 HG3 PRO 35 -20.323 8.911 0.502 236 HD2 PRO 35 HD2 PRO 35 -17.553 8.996 1.063 237 HD3 PRO 35 HD3 PRO 35 -18.288 8.990 -0.553 238 H LEU 36 H LEU 36 -16.785 10.967 2.347 239 HA LEU 36 HA LEU 36 -17.021 12.891 4.497 240 HB2 LEU 36 HB2 LEU 36 -17.208 10.702 6.147 241 HB3 LEU 36 HB3 LEU 36 -18.540 11.744 5.701 242 HG LEU 36 HG LEU 36 -19.153 10.104 3.874 243 HD11 LEU 36 HD11 LEU 36 -18.314 7.803 3.944 244 HD12 LEU 36 HD12 LEU 36 -17.114 8.274 5.154 245 HD13 LEU 36 HD13 LEU 36 -17.042 8.954 3.527 246 HD21 LEU 36 HD21 LEU 36 -20.312 10.148 6.011 247 HD22 LEU 36 HD22 LEU 36 -19.151 9.000 6.685 248 HD23 LEU 36 HD23 LEU 36 -20.224 8.510 5.369 249 H MET 37 H MET 37 -15.698 9.668 5.118 250 HA MET 37 HA MET 37 -12.986 10.553 4.460 251 HB2 MET 37 HB2 MET 37 -13.286 11.079 6.875 252 HB3 MET 37 HB3 MET 37 -13.772 9.420 7.190 253 HG2 MET 37 HG2 MET 37 -11.459 9.772 7.891 254 HG3 MET 37 HG3 MET 37 -11.507 8.638 6.545 255 HE1 MET 37 HE1 MET 37 -10.724 12.344 7.637 256 HE2 MET 37 HE2 MET 37 -11.857 12.604 6.310 257 HE3 MET 37 HE3 MET 37 -10.163 13.052 6.124 258 H LYS 38 H LYS 38 -13.260 9.136 2.732 259 HA LYS 38 HA LYS 38 -12.892 6.254 3.348 260 HB2 LYS 38 HB2 LYS 38 -13.597 7.561 0.663 261 HB3 LYS 38 HB3 LYS 38 -13.433 5.830 0.966 262 HG2 LYS 38 HG2 LYS 38 -15.431 5.863 2.398 263 HG3 LYS 38 HG3 LYS 38 -15.555 7.617 2.208 264 HD2 LYS 38 HD2 LYS 38 -17.154 6.533 0.727 265 HD3 LYS 38 HD3 LYS 38 -15.902 7.317 -0.239 266 HE2 LYS 38 HE2 LYS 38 -16.411 5.135 -1.182 267 HE3 LYS 38 HE3 LYS 38 -14.782 5.091 -0.502 268 HZ1 LYS 38 HZ1 LYS 38 -15.658 3.978 1.451 269 HZ2 LYS 38 HZ2 LYS 38 -16.079 3.117 0.060 270 HZ3 LYS 38 HZ3 LYS 38 -17.233 4.072 0.845 271 H TYR 39 H TYR 39 -10.714 5.868 3.459 272 HA TYR 39 HA TYR 39 -8.695 7.574 2.512 273 HB2 TYR 39 HB2 TYR 39 -8.598 4.608 3.191 274 HB3 TYR 39 HB3 TYR 39 -7.167 5.583 2.884 275 HD1 TYR 39 HD2 TYR 39 -6.746 7.621 4.426 276 HD2 TYR 39 HD1 TYR 39 -9.527 4.519 5.405 277 HE1 TYR 39 HE2 TYR 39 -6.665 8.286 6.792 278 HE2 TYR 39 HE1 TYR 39 -9.448 5.194 7.763 279 HH TYR 39 HH TYR 39 -7.910 6.372 9.282 280 H ILE 40 H ILE 40 -8.710 8.131 0.406 281 HA ILE 40 HA ILE 40 -9.463 6.401 -1.734 282 HB ILE 40 HB ILE 40 -8.216 9.185 -1.750 283 HG12 ILE 40 HG12 ILE 40 -11.106 8.278 -2.199 284 HG13 ILE 40 HG13 ILE 40 -10.492 9.108 -0.774 285 HG21 ILE 40 HG21 ILE 40 -7.662 8.049 -3.860 286 HG22 ILE 40 HG22 ILE 40 -8.821 9.348 -4.134 287 HG23 ILE 40 HG23 ILE 40 -9.368 7.671 -4.123 288 HD11 ILE 40 HD11 ILE 40 -11.709 10.642 -2.183 289 HD12 ILE 40 HD12 ILE 40 -10.679 10.265 -3.562 290 HD13 ILE 40 HD13 ILE 40 -10.006 11.091 -2.153 291 H CYS 41 H CYS 41 -8.246 4.878 -2.575 292 HA CYS 41 HA CYS 41 -5.461 4.531 -2.224 293 HB2 CYS 41 HB2 CYS 41 -7.103 2.699 -2.652 294 HB3 CYS 41 HB3 CYS 41 -7.333 3.295 -4.290 295 H HIS 42 H HIS 42 -3.848 5.558 -3.302 296 HA HIS 42 HA HIS 42 -4.414 7.642 -5.177 297 HB2 HIS 42 HB2 HIS 42 -1.797 6.486 -4.149 298 HB3 HIS 42 HB3 HIS 42 -1.841 7.822 -5.290 299 HD1 HIS 42 HD1 HIS 42 -1.899 10.081 -4.293 300 HD2 HIS 42 HD2 HIS 42 -3.135 7.192 -1.579 301 HE1 HIS 42 HE1 HIS 42 -2.168 11.279 -2.107 302 HE2 HIS 42 HE2 HIS 42 -3.131 9.561 -0.563 303 H ILE 43 H ILE 43 -4.181 4.357 -5.771 304 HA ILE 43 HA ILE 43 -3.356 4.732 -8.593 305 HB ILE 43 HB ILE 43 -3.210 2.255 -6.809 306 HG12 ILE 43 HG12 ILE 43 -1.066 3.887 -8.255 307 HG13 ILE 43 HG13 ILE 43 -1.385 3.896 -6.527 308 HG21 ILE 43 HG21 ILE 43 -2.633 2.362 -9.799 309 HG22 ILE 43 HG22 ILE 43 -3.972 1.503 -9.033 310 HG23 ILE 43 HG23 ILE 43 -2.312 0.988 -8.738 311 HD11 ILE 43 HD11 ILE 43 -0.673 1.548 -6.408 312 HD12 ILE 43 HD12 ILE 43 0.583 2.634 -6.994 313 HD13 ILE 43 HD13 ILE 43 -0.280 1.597 -8.131 314 H CYS 44 H CYS 44 -5.841 3.090 -6.521 315 HA CYS 44 HA CYS 44 -7.380 2.462 -9.003 316 HB2 CYS 44 HB2 CYS 44 -8.425 0.579 -7.723 317 HB3 CYS 44 HB3 CYS 44 -6.672 0.424 -7.836 318 H ASN 45 H ASN 45 -7.378 4.541 -6.455 319 HA ASN 45 HA ASN 45 -8.669 6.243 -5.841 320 HB2 ASN 45 HB2 ASN 45 -9.497 6.415 -8.156 321 HB3 ASN 45 HB3 ASN 45 -10.747 5.225 -7.815 322 HD21 ASN 45 HD21 ASN 45 -9.664 8.499 -7.166 323 HD22 ASN 45 HD22 ASN 45 -11.191 9.095 -6.616 324 H ARG 46 H ARG 46 -10.726 3.338 -6.137 325 HA ARG 46 HA ARG 46 -12.548 4.040 -4.118 326 HB2 ARG 46 HB2 ARG 46 -11.828 1.338 -5.325 327 HB3 ARG 46 HB3 ARG 46 -13.164 1.566 -4.193 328 HG2 ARG 46 HG2 ARG 46 -14.213 3.177 -5.772 329 HG3 ARG 46 HG3 ARG 46 -12.898 2.898 -6.917 330 HD2 ARG 46 HD2 ARG 46 -13.559 0.585 -7.208 331 HD3 ARG 46 HD3 ARG 46 -14.756 0.711 -5.911 332 HE ARG 46 HE ARG 46 -15.376 2.651 -7.826 333 HH11 ARG 46 HH11 ARG 46 -15.335 -0.866 -7.631 334 HH12 ARG 46 HH12 ARG 46 -16.600 -1.066 -8.800 335 HH21 ARG 46 HH21 ARG 46 -17.033 2.370 -9.356 336 HH22 ARG 46 HH22 ARG 46 -17.559 0.770 -9.776 337 H GLY 47 H GLY 47 -12.625 3.723 -1.962 338 HA2 GLY 47 HA2 GLY 47 -10.316 2.427 -0.575 339 HA3 GLY 47 HA3 GLY 47 -11.221 3.804 0.056 340 H ASP 48 H ASP 48 -12.645 1.118 -1.614 341 HA ASP 48 HA ASP 48 -14.490 0.639 0.602 342 HB2 ASP 48 HB2 ASP 48 -14.512 -0.387 -2.270 343 HB3 ASP 48 HB3 ASP 48 -15.788 -0.660 -1.084 344 H VAL 49 H VAL 49 -11.880 -0.935 -1.116 345 HA VAL 49 HA VAL 49 -12.103 -3.401 0.418 346 HB VAL 49 HB VAL 49 -9.737 -2.475 -1.287 347 HG11 VAL 49 HG11 VAL 49 -9.207 -4.319 0.256 348 HG12 VAL 49 HG12 VAL 49 -9.184 -4.886 -1.413 349 HG13 VAL 49 HG13 VAL 49 -10.562 -5.263 -0.373 350 HG21 VAL 49 HG21 VAL 49 -11.770 -2.496 -2.683 351 HG22 VAL 49 HG22 VAL 49 -12.112 -4.154 -2.183 352 HG23 VAL 49 HG23 VAL 49 -10.675 -3.803 -3.148 353 H GLU 50 H GLU 50 -12.276 -1.865 2.313 354 HA GLU 50 HA GLU 50 -9.983 -0.441 3.265 355 HB2 GLU 50 HB2 GLU 50 -11.384 -0.050 5.288 356 HB3 GLU 50 HB3 GLU 50 -12.188 0.382 3.784 357 HG2 GLU 50 HG2 GLU 50 -13.413 -1.813 3.874 358 HG3 GLU 50 HG3 GLU 50 -12.687 -2.101 5.456 359 H GLU 51 H GLU 51 -11.155 -3.673 3.611 360 HA GLU 51 HA GLU 51 -9.743 -4.667 5.782 361 HB2 GLU 51 HB2 GLU 51 -11.449 -5.884 4.410 362 HB3 GLU 51 HB3 GLU 51 -10.296 -5.995 3.090 363 HG2 GLU 51 HG2 GLU 51 -10.329 -8.124 4.147 364 HG3 GLU 51 HG3 GLU 51 -8.809 -7.366 4.609 365 H SER 52 H SER 52 -8.614 -3.876 2.513 366 HA SER 52 HA SER 52 -5.841 -4.753 3.124 367 HB2 SER 52 HB2 SER 52 -6.900 -5.724 1.079 368 HB3 SER 52 HB3 SER 52 -7.120 -4.100 0.427 369 HG SER 52 HG SER 52 -4.544 -4.563 1.191 370 H MET 53 H MET 53 -7.470 -2.053 3.639 371 HA MET 53 HA MET 53 -6.196 -0.019 2.114 372 HB2 MET 53 HB2 MET 53 -8.423 0.099 3.416 373 HB3 MET 53 HB3 MET 53 -7.462 0.375 4.856 374 HG2 MET 53 HG2 MET 53 -8.019 2.537 4.249 375 HG3 MET 53 HG3 MET 53 -6.466 2.367 3.434 376 HE1 MET 53 HE1 MET 53 -6.537 1.407 0.613 377 HE2 MET 53 HE2 MET 53 -6.168 3.080 1.039 378 HE3 MET 53 HE3 MET 53 -7.308 2.734 -0.262 379 H LEU 54 H LEU 54 -4.020 0.039 2.228 380 HA LEU 54 HA LEU 54 -2.526 -0.009 4.738 381 HB2 LEU 54 HB2 LEU 54 -1.554 0.228 1.851 382 HB3 LEU 54 HB3 LEU 54 -0.535 0.001 3.263 383 HG LEU 54 HG LEU 54 -2.477 -2.029 2.096 384 HD11 LEU 54 HD11 LEU 54 -0.429 -3.335 1.635 385 HD12 LEU 54 HD12 LEU 54 0.557 -1.991 2.226 386 HD13 LEU 54 HD13 LEU 54 -0.446 -1.791 0.785 387 HD21 LEU 54 HD21 LEU 54 -2.491 -2.225 4.521 388 HD22 LEU 54 HD22 LEU 54 -0.726 -2.271 4.562 389 HD23 LEU 54 HD23 LEU 54 -1.633 -3.588 3.810 390 H LEU 55 H LEU 55 -2.028 1.867 5.756 391 HA LEU 55 HA LEU 55 -2.292 4.450 4.307 392 HB2 LEU 55 HB2 LEU 55 -3.931 3.826 6.224 393 HB3 LEU 55 HB3 LEU 55 -2.578 3.968 7.319 394 HG LEU 55 HG LEU 55 -4.177 5.963 7.223 395 HD11 LEU 55 HD11 LEU 55 -1.300 6.647 6.611 396 HD12 LEU 55 HD12 LEU 55 -1.949 6.215 8.194 397 HD13 LEU 55 HD13 LEU 55 -2.498 7.687 7.394 398 HD21 LEU 55 HD21 LEU 55 -3.981 7.546 5.380 399 HD22 LEU 55 HD22 LEU 55 -4.554 5.980 4.808 400 HD23 LEU 55 HD23 LEU 55 -2.875 6.457 4.535 401 H CYS 56 H CYS 56 -0.318 5.301 3.871 402 HA CYS 56 HA CYS 56 2.123 4.635 5.245 403 HB2 CYS 56 HB2 CYS 56 2.067 5.258 2.837 404 HB3 CYS 56 HB3 CYS 56 1.508 6.870 3.247 405 H ASP 57 H ASP 57 1.485 5.116 7.403 406 HA ASP 57 HA ASP 57 0.544 7.581 8.350 407 HB2 ASP 57 HB2 ASP 57 0.388 5.542 9.709 408 HB3 ASP 57 HB3 ASP 57 2.145 5.461 9.833 409 H GLY 58 H GLY 58 1.586 9.382 7.826 410 HA2 GLY 58 HA2 GLY 58 3.651 10.636 8.874 411 HA3 GLY 58 HA3 GLY 58 4.493 9.600 7.721 412 H CYS 59 H CYS 59 2.247 9.615 5.848 413 HA CYS 59 HA CYS 59 2.099 12.379 4.832 414 HB2 CYS 59 HB2 CYS 59 2.941 11.418 2.544 415 HB3 CYS 59 HB3 CYS 59 4.138 11.755 3.816 416 H ASP 60 H ASP 60 0.431 9.735 5.592 417 HA ASP 60 HA ASP 60 -1.686 9.039 5.289 418 HB2 ASP 60 HB2 ASP 60 -2.041 11.662 3.753 419 HB3 ASP 60 HB3 ASP 60 -3.367 10.645 4.306 420 H ASP 61 H ASP 61 0.351 8.519 2.962 421 HA ASP 61 HA ASP 61 -1.157 8.425 0.555 422 HB2 ASP 61 HB2 ASP 61 1.304 6.776 1.219 423 HB3 ASP 61 HB3 ASP 61 0.621 7.029 -0.376 424 H SER 62 H SER 62 -3.064 7.372 0.675 425 HA SER 62 HA SER 62 -3.351 4.770 1.912 426 HB2 SER 62 HB2 SER 62 -5.359 6.403 0.297 427 HB3 SER 62 HB3 SER 62 -5.722 5.040 1.360 428 HG SER 62 HG SER 62 -4.292 7.072 2.566 429 H TYR 63 H TYR 63 -3.097 2.907 0.879 430 HA TYR 63 HA TYR 63 -3.561 2.600 -2.007 431 HB2 TYR 63 HB2 TYR 63 -1.013 1.753 -0.538 432 HB3 TYR 63 HB3 TYR 63 -1.471 1.140 -2.118 433 HD1 TYR 63 HD2 TYR 63 -1.457 2.670 -4.113 434 HD2 TYR 63 HD1 TYR 63 0.028 3.942 -0.312 435 HE1 TYR 63 HE2 TYR 63 -0.249 4.514 -5.196 436 HE2 TYR 63 HE1 TYR 63 1.243 5.773 -1.403 437 HH TYR 63 HH TYR 63 2.138 6.352 -3.611 438 H HIS 64 H HIS 64 -3.559 0.186 -2.514 439 HA HIS 64 HA HIS 64 -4.224 -1.538 -0.177 440 HB2 HIS 64 HB2 HIS 64 -4.884 -1.978 -3.120 441 HB3 HIS 64 HB3 HIS 64 -5.313 -3.060 -1.804 442 HD2 HIS 64 HD2 HIS 64 -7.022 -1.715 0.169 443 HE1 HIS 64 HE1 HIS 64 -8.778 0.609 -2.855 444 HE2 HIS 64 HE2 HIS 64 -8.906 -0.047 -0.422 445 H THR 65 H THR 65 -3.482 -3.805 -0.430 446 HA THR 65 HA THR 65 -0.712 -4.037 -0.673 447 HB THR 65 HB THR 65 -1.138 -6.530 -0.622 448 HG1 THR 65 HG1 THR 65 -3.850 -6.245 -0.188 449 HG21 THR 65 HG21 THR 65 -2.755 -4.945 1.402 450 HG22 THR 65 HG22 THR 65 -1.023 -5.274 1.500 451 HG23 THR 65 HG23 THR 65 -2.179 -6.603 1.607 452 H PHE 66 H PHE 66 -3.274 -4.938 -2.920 453 HA PHE 66 HA PHE 66 -1.523 -6.007 -4.949 454 HB2 PHE 66 HB2 PHE 66 -3.702 -6.348 -6.209 455 HB3 PHE 66 HB3 PHE 66 -3.633 -7.127 -4.639 456 HD1 PHE 66 HD2 PHE 66 -5.252 -4.432 -6.603 457 HD2 PHE 66 HD1 PHE 66 -5.102 -6.393 -2.800 458 HE1 PHE 66 HE2 PHE 66 -7.383 -3.376 -5.963 459 HE2 PHE 66 HE1 PHE 66 -7.234 -5.338 -2.180 460 HZ PHE 66 HZ PHE 66 -8.374 -3.829 -3.753 461 H CYS 67 H CYS 67 -2.269 -2.800 -4.210 462 HA CYS 67 HA CYS 67 -2.863 -1.829 -6.859 463 HB2 CYS 67 HB2 CYS 67 -2.316 -0.403 -4.228 464 HB3 CYS 67 HB3 CYS 67 -2.617 0.472 -5.735 465 H LEU 68 H LEU 68 -0.003 -1.593 -4.702 466 HA LEU 68 HA LEU 68 1.504 0.032 -6.514 467 HB2 LEU 68 HB2 LEU 68 2.647 -1.567 -4.194 468 HB3 LEU 68 HB3 LEU 68 3.411 -0.231 -5.033 469 HG LEU 68 HG LEU 68 1.201 1.083 -4.161 470 HD11 LEU 68 HD11 LEU 68 0.174 -0.839 -3.095 471 HD12 LEU 68 HD12 LEU 68 0.591 0.382 -1.895 472 HD13 LEU 68 HD13 LEU 68 1.591 -1.062 -2.064 473 HD21 LEU 68 HD21 LEU 68 2.510 1.937 -2.272 474 HD22 LEU 68 HD22 LEU 68 3.502 1.795 -3.722 475 HD23 LEU 68 HD23 LEU 68 3.651 0.596 -2.435 476 H LEU 69 H LEU 69 3.801 -0.575 -7.110 477 HA LEU 69 HA LEU 69 4.137 -3.371 -7.984 478 HB2 LEU 69 HB2 LEU 69 3.643 -1.997 -9.958 479 HB3 LEU 69 HB3 LEU 69 4.879 -0.836 -9.504 480 HG LEU 69 HG LEU 69 6.632 -2.596 -9.891 481 HD11 LEU 69 HD11 LEU 69 4.337 -4.288 -10.917 482 HD12 LEU 69 HD12 LEU 69 5.323 -4.601 -9.487 483 HD13 LEU 69 HD13 LEU 69 6.054 -4.666 -11.086 484 HD21 LEU 69 HD21 LEU 69 4.842 -2.042 -12.283 485 HD22 LEU 69 HD22 LEU 69 6.531 -2.552 -12.357 486 HD23 LEU 69 HD23 LEU 69 6.117 -0.989 -11.661 487 HA PRO 70 HA PRO 70 5.509 -5.039 -7.594 488 HB2 PRO 70 HB2 PRO 70 6.674 -5.990 -5.037 489 HB3 PRO 70 HB3 PRO 70 7.087 -6.464 -6.696 490 HG2 PRO 70 HG2 PRO 70 8.778 -5.016 -5.162 491 HG3 PRO 70 HG3 PRO 70 8.691 -4.812 -6.929 492 HD2 PRO 70 HD2 PRO 70 7.404 -3.121 -4.776 493 HD3 PRO 70 HD3 PRO 70 8.315 -2.607 -6.218 494 HA PRO 71 HA PRO 71 1.799 -4.743 -4.970 495 HB2 PRO 71 HB2 PRO 71 0.435 -6.922 -5.972 496 HB3 PRO 71 HB3 PRO 71 0.569 -5.383 -6.848 497 HG2 PRO 71 HG2 PRO 71 2.143 -7.909 -7.231 498 HG3 PRO 71 HG3 PRO 71 1.455 -6.818 -8.456 499 HD2 PRO 71 HD2 PRO 71 4.091 -6.765 -7.749 500 HD3 PRO 71 HD3 PRO 71 3.223 -5.316 -8.304 501 H LEU 72 H LEU 72 1.773 -5.338 -2.899 502 HA LEU 72 HA LEU 72 3.358 -7.438 -1.822 503 HB2 LEU 72 HB2 LEU 72 1.251 -5.735 -0.422 504 HB3 LEU 72 HB3 LEU 72 2.540 -6.645 0.356 505 HG LEU 72 HG LEU 72 2.917 -4.205 -1.431 506 HD11 LEU 72 HD11 LEU 72 3.208 -4.484 1.576 507 HD12 LEU 72 HD12 LEU 72 1.940 -3.608 0.716 508 HD13 LEU 72 HD13 LEU 72 3.605 -3.046 0.626 509 HD21 LEU 72 HD21 LEU 72 5.290 -4.290 -0.751 510 HD22 LEU 72 HD22 LEU 72 4.819 -5.717 -1.668 511 HD23 LEU 72 HD23 LEU 72 4.997 -5.819 0.085 512 H THR 73 H THR 73 2.505 -9.390 -2.703 513 HA THR 73 HA THR 73 -0.210 -10.233 -2.293 514 HB THR 73 HB THR 73 0.639 -12.521 -2.901 515 HG1 THR 73 HG1 THR 73 2.679 -12.854 -2.508 516 HG21 THR 73 HG21 THR 73 1.603 -10.311 -4.766 517 HG22 THR 73 HG22 THR 73 -0.033 -10.971 -4.714 518 HG23 THR 73 HG23 THR 73 1.311 -11.994 -5.223 519 H SER 74 H SER 74 2.857 -10.694 -0.591 520 HA SER 74 HA SER 74 1.627 -11.941 1.729 521 HB2 SER 74 HB2 SER 74 3.955 -11.621 2.713 522 HB3 SER 74 HB3 SER 74 3.888 -12.612 1.261 523 HG SER 74 HG SER 74 4.657 -9.893 1.447 524 H ILE 75 H ILE 75 0.735 -10.857 3.320 525 HA ILE 75 HA ILE 75 0.229 -8.130 3.413 526 HB ILE 75 HB ILE 75 0.144 -10.164 5.686 527 HG12 ILE 75 HG12 ILE 75 -1.254 -10.817 3.757 528 HG13 ILE 75 HG13 ILE 75 -2.273 -10.376 5.123 529 HG21 ILE 75 HG21 ILE 75 0.112 -7.914 6.651 530 HG22 ILE 75 HG22 ILE 75 -1.480 -8.652 6.810 531 HG23 ILE 75 HG23 ILE 75 -1.195 -7.431 5.567 532 HD11 ILE 75 HD11 ILE 75 -2.683 -8.183 4.075 533 HD12 ILE 75 HD12 ILE 75 -3.190 -9.537 3.068 534 HD13 ILE 75 HD13 ILE 75 -1.696 -8.681 2.698 535 HA PRO 76 HA PRO 76 4.133 -6.502 5.078 536 HB2 PRO 76 HB2 PRO 76 3.265 -3.943 5.681 537 HB3 PRO 76 HB3 PRO 76 3.617 -4.481 4.024 538 HG2 PRO 76 HG2 PRO 76 0.953 -4.320 5.415 539 HG3 PRO 76 HG3 PRO 76 1.405 -3.764 3.784 540 HD2 PRO 76 HD2 PRO 76 0.135 -6.112 4.134 541 HD3 PRO 76 HD3 PRO 76 1.392 -5.933 2.888 542 H LYS 77 H LYS 77 4.647 -4.998 7.131 543 HA LYS 77 HA LYS 77 4.049 -6.764 9.355 544 HB2 LYS 77 HB2 LYS 77 5.945 -4.385 9.140 545 HB3 LYS 77 HB3 LYS 77 5.929 -5.572 10.445 546 HG2 LYS 77 HG2 LYS 77 6.599 -7.343 8.893 547 HG3 LYS 77 HG3 LYS 77 6.531 -6.209 7.535 548 HD2 LYS 77 HD2 LYS 77 8.367 -4.886 8.531 549 HD3 LYS 77 HD3 LYS 77 8.415 -5.976 9.923 550 HE2 LYS 77 HE2 LYS 77 9.009 -6.767 7.046 551 HE3 LYS 77 HE3 LYS 77 10.213 -6.478 8.303 552 HZ1 LYS 77 HZ1 LYS 77 9.310 -8.323 9.561 553 HZ2 LYS 77 HZ2 LYS 77 9.756 -8.831 8.014 554 HZ3 LYS 77 HZ3 LYS 77 8.130 -8.591 8.385 555 H GLY 78 H GLY 78 1.764 -5.136 8.702 556 HA2 GLY 78 HA2 GLY 78 0.154 -3.856 9.707 557 HA3 GLY 78 HA3 GLY 78 1.137 -3.830 11.167 558 H GLU 79 H GLU 79 2.941 -2.319 11.229 559 HA GLU 79 HA GLU 79 2.404 0.307 10.276 560 HB2 GLU 79 HB2 GLU 79 3.611 -0.175 12.407 561 HB3 GLU 79 HB3 GLU 79 4.955 -0.862 11.496 562 HG2 GLU 79 HG2 GLU 79 5.354 1.360 10.452 563 HG3 GLU 79 HG3 GLU 79 4.037 2.034 11.414 564 H TRP 80 H TRP 80 2.413 0.550 8.120 565 HA TRP 80 HA TRP 80 4.671 -0.389 6.455 566 HB2 TRP 80 HB2 TRP 80 2.677 -1.685 5.909 567 HB3 TRP 80 HB3 TRP 80 1.676 -0.242 5.846 568 HD1 TRP 80 HD1 TRP 80 4.274 -2.183 3.774 569 HE1 TRP 80 HE1 TRP 80 4.132 -1.384 1.337 570 HE3 TRP 80 HE3 TRP 80 1.121 1.790 4.402 571 HZ2 TRP 80 HZ2 TRP 80 2.872 0.655 -0.130 572 HZ3 TRP 80 HZ3 TRP 80 0.500 3.135 2.421 573 HH2 TRP 80 HH2 TRP 80 1.367 2.573 0.202 574 H LEU 81 H LEU 81 5.637 1.155 5.275 575 HA LEU 81 HA LEU 81 4.239 3.710 4.711 576 HB2 LEU 81 HB2 LEU 81 7.212 3.218 5.181 577 HB3 LEU 81 HB3 LEU 81 6.576 4.716 4.514 578 HG LEU 81 HG LEU 81 6.024 3.623 7.307 579 HD11 LEU 81 HD11 LEU 81 7.625 6.048 6.437 580 HD12 LEU 81 HD12 LEU 81 8.278 4.540 7.083 581 HD13 LEU 81 HD13 LEU 81 7.276 5.568 8.103 582 HD21 LEU 81 HD21 LEU 81 4.050 4.780 6.448 583 HD22 LEU 81 HD22 LEU 81 5.028 6.190 6.031 584 HD23 LEU 81 HD23 LEU 81 4.820 5.719 7.721 585 H CYS 82 H CYS 82 4.326 4.440 2.616 586 HA CYS 82 HA CYS 82 4.755 2.666 0.479 587 HB2 CYS 82 HB2 CYS 82 4.549 4.781 -0.927 588 HB3 CYS 82 HB3 CYS 82 3.222 4.502 0.198 589 HA PRO 83 HA PRO 83 9.157 2.283 -0.047 590 HB2 PRO 83 HB2 PRO 83 8.618 3.085 -2.925 591 HB3 PRO 83 HB3 PRO 83 9.609 1.746 -2.292 592 HG2 PRO 83 HG2 PRO 83 7.181 1.231 -3.206 593 HG3 PRO 83 HG3 PRO 83 7.751 0.448 -1.714 594 HD2 PRO 83 HD2 PRO 83 5.770 2.679 -2.025 595 HD3 PRO 83 HD3 PRO 83 5.837 1.383 -0.808 596 H ARG 84 H ARG 84 7.757 5.191 -1.480 597 HA ARG 84 HA ARG 84 10.194 6.649 -1.833 598 HB2 ARG 84 HB2 ARG 84 8.089 7.038 -3.133 599 HB3 ARG 84 HB3 ARG 84 7.323 7.663 -1.679 600 HG2 ARG 84 HG2 ARG 84 8.867 9.566 -1.640 601 HG3 ARG 84 HG3 ARG 84 9.749 8.912 -3.023 602 HD2 ARG 84 HD2 ARG 84 7.712 9.156 -4.424 603 HD3 ARG 84 HD3 ARG 84 6.847 9.828 -3.036 604 HE ARG 84 HE ARG 84 9.154 11.365 -3.460 605 HH11 ARG 84 HH11 ARG 84 6.094 10.712 -5.090 606 HH12 ARG 84 HH12 ARG 84 6.054 12.255 -5.882 607 HH21 ARG 84 HH21 ARG 84 9.086 13.372 -4.511 608 HH22 ARG 84 HH22 ARG 84 7.753 13.765 -5.551 609 H CYS 85 H CYS 85 7.733 6.511 0.728 610 HA CYS 85 HA CYS 85 8.918 8.627 2.303 611 HB2 CYS 85 HB2 CYS 85 6.665 6.695 2.918 612 HB3 CYS 85 HB3 CYS 85 7.052 8.169 3.823 613 H VAL 86 H VAL 86 9.141 5.103 2.172 614 HA VAL 86 HA VAL 86 10.424 4.598 4.613 615 HB VAL 86 HB VAL 86 10.988 3.304 1.903 616 HG11 VAL 86 HG11 VAL 86 11.865 1.373 3.191 617 HG12 VAL 86 HG12 VAL 86 11.653 2.281 4.691 618 HG13 VAL 86 HG13 VAL 86 12.812 2.833 3.482 619 HG21 VAL 86 HG21 VAL 86 9.422 1.517 2.647 620 HG22 VAL 86 HG22 VAL 86 8.620 3.085 2.541 621 HG23 VAL 86 HG23 VAL 86 9.079 2.439 4.116 622 H VAL 87 H VAL 87 11.781 5.653 1.482 623 HA VAL 87 HA VAL 87 14.348 6.410 2.669 624 HB VAL 87 HB VAL 87 13.318 6.965 -0.136 625 HG11 VAL 87 HG11 VAL 87 15.707 7.237 -0.755 626 HG12 VAL 87 HG12 VAL 87 16.168 6.990 0.932 627 HG13 VAL 87 HG13 VAL 87 15.213 8.402 0.476 628 HG21 VAL 87 HG21 VAL 87 14.614 4.976 -0.884 629 HG22 VAL 87 HG22 VAL 87 13.308 4.543 0.219 630 HG23 VAL 87 HG23 VAL 87 14.972 4.591 0.805 631 H GLU 88 H GLU 88 13.038 7.676 4.198 632 HA GLU 88 HA GLU 88 11.516 9.943 3.484 633 HB2 GLU 88 HB2 GLU 88 11.569 10.510 5.921 634 HB3 GLU 88 HB3 GLU 88 11.092 8.844 5.608 635 HG2 GLU 88 HG2 GLU 88 13.290 8.025 6.258 636 HG3 GLU 88 HG3 GLU 88 13.902 9.670 6.409 637 H GLU 89 H GLU 89 14.858 9.550 4.417 638 HA GLU 89 HA GLU 89 16.621 10.865 4.725 639 HB2 GLU 89 HB2 GLU 89 15.321 12.618 2.604 640 HB3 GLU 89 HB3 GLU 89 17.001 12.736 3.124 641 HG2 GLU 89 HG2 GLU 89 15.685 10.429 1.651 642 HG3 GLU 89 HG3 GLU 89 16.922 11.524 1.038 643 H VAL 90 H VAL 90 14.136 13.439 4.275 644 HA VAL 90 HA VAL 90 13.475 15.193 5.485 645 HB VAL 90 HB VAL 90 14.059 13.427 7.918 646 HG11 VAL 90 HG11 VAL 90 13.778 15.787 8.577 647 HG12 VAL 90 HG12 VAL 90 12.394 14.831 9.113 648 HG13 VAL 90 HG13 VAL 90 12.252 15.867 7.690 649 HG21 VAL 90 HG21 VAL 90 12.516 12.337 6.326 650 HG22 VAL 90 HG22 VAL 90 11.480 13.767 6.333 651 HG23 VAL 90 HG23 VAL 90 11.661 12.803 7.802 652 H SER 91 H SER 91 15.162 16.479 4.750 653 HA SER 91 HA SER 91 17.056 17.422 6.760 654 HB2 SER 91 HB2 SER 91 18.252 15.580 5.535 655 HB3 SER 91 HB3 SER 91 17.997 16.436 4.016 656 HG SER 91 HG SER 91 19.428 17.393 6.271 657 H LYS 92 H LYS 92 16.079 19.361 6.796 658 HA LYS 92 HA LYS 92 15.943 21.051 4.409 659 HB2 LYS 92 HB2 LYS 92 13.783 19.797 4.427 660 HB3 LYS 92 HB3 LYS 92 13.497 20.298 6.090 661 HG2 LYS 92 HG2 LYS 92 13.475 22.716 5.223 662 HG3 LYS 92 HG3 LYS 92 13.469 22.034 3.594 663 HD2 LYS 92 HD2 LYS 92 11.182 22.531 4.181 664 HD3 LYS 92 HD3 LYS 92 11.366 20.776 4.201 665 HE2 LYS 92 HE2 LYS 92 10.058 21.425 6.126 666 HE3 LYS 92 HE3 LYS 92 11.637 20.906 6.713 667 HZ1 LYS 92 HZ1 LYS 92 12.280 23.231 6.890 668 HZ2 LYS 92 HZ2 LYS 92 10.885 22.934 7.796 669 HZ3 LYS 92 HZ3 LYS 92 10.772 23.721 6.305 670 HA PRO 93 HA PRO 93 16.629 24.259 7.690 671 HB2 PRO 93 HB2 PRO 93 15.426 26.078 5.609 672 HB3 PRO 93 HB3 PRO 93 16.966 26.232 6.481 673 HG2 PRO 93 HG2 PRO 93 16.924 25.542 3.900 674 HG3 PRO 93 HG3 PRO 93 18.106 24.822 5.017 675 HD2 PRO 93 HD2 PRO 93 15.561 23.626 3.932 676 HD3 PRO 93 HD3 PRO 93 17.146 22.860 4.192 677 H GLN 94 H GLN 94 15.136 24.152 9.284 678 HA GLN 94 HA GLN 94 12.442 23.425 8.844 679 HB2 GLN 94 HB2 GLN 94 13.723 24.386 11.431 680 HB3 GLN 94 HB3 GLN 94 12.172 23.565 11.300 681 HG2 GLN 94 HG2 GLN 94 14.872 22.362 10.595 682 HG3 GLN 94 HG3 GLN 94 13.978 22.074 12.082 683 HE21 GLN 94 HE21 GLN 94 13.891 19.860 11.768 684 HE22 GLN 94 HE22 GLN 94 12.910 19.105 10.563 Start of MODEL 4 1 H1 SER 1 H1 SER 1 -13.929 2.493 27.066 2 H2 SER 1 H2 SER 1 -14.041 1.641 28.520 3 H3 SER 1 H3 SER 1 -12.575 1.714 27.685 4 HA SER 1 HA SER 1 -13.962 4.042 28.838 5 HB2 SER 1 HB2 SER 1 -13.109 2.531 30.620 6 HB3 SER 1 HB3 SER 1 -11.513 2.539 29.875 7 HG SER 1 HG SER 1 -12.890 4.759 30.999 8 H HIS 2 H HIS 2 -12.378 5.884 29.030 9 HA HIS 2 HA HIS 2 -11.285 6.617 26.520 10 HB2 HIS 2 HB2 HIS 2 -10.492 8.662 27.740 11 HB3 HIS 2 HB3 HIS 2 -12.186 8.300 28.047 12 HD2 HIS 2 HD2 HIS 2 -9.118 9.220 29.994 13 HE1 HIS 2 HE1 HIS 2 -11.665 7.210 32.706 14 HE2 HIS 2 HE2 HIS 2 -9.757 8.853 32.476 15 H MET 3 H MET 3 -9.856 5.247 29.414 16 HA MET 3 HA MET 3 -7.100 5.580 28.491 17 HB2 MET 3 HB2 MET 3 -7.631 5.915 30.885 18 HB3 MET 3 HB3 MET 3 -8.248 4.273 31.010 19 HG2 MET 3 HG2 MET 3 -6.006 3.372 30.596 20 HG3 MET 3 HG3 MET 3 -5.371 5.004 30.373 21 HE1 MET 3 HE1 MET 3 -5.698 6.501 33.994 22 HE2 MET 3 HE2 MET 3 -6.863 6.664 32.680 23 HE3 MET 3 HE3 MET 3 -5.132 6.797 32.353 24 H SER 4 H SER 4 -6.065 4.069 27.315 25 HA SER 4 HA SER 4 -6.746 1.206 27.542 26 HB2 SER 4 HB2 SER 4 -6.441 2.622 24.848 27 HB3 SER 4 HB3 SER 4 -6.790 0.913 25.103 28 HG SER 4 HG SER 4 -8.810 1.409 25.763 29 H GLY 5 H GLY 5 -4.765 1.694 28.903 30 HA2 GLY 5 HA2 GLY 5 -2.226 1.739 27.366 31 HA3 GLY 5 HA3 GLY 5 -2.411 2.049 29.084 32 H GLY 6 H GLY 6 -2.013 -0.383 26.655 33 HA2 GLY 6 HA2 GLY 6 -0.537 -2.190 27.967 34 HA3 GLY 6 HA3 GLY 6 -2.149 -2.637 28.514 35 H SER 7 H SER 7 -1.851 -1.359 25.313 36 HA SER 7 HA SER 7 -2.839 -3.825 24.142 37 HB2 SER 7 HB2 SER 7 -3.070 -2.426 22.095 38 HB3 SER 7 HB3 SER 7 -3.780 -1.610 23.490 39 HG SER 7 HG SER 7 -2.550 -0.048 22.718 40 HA PRO 8 HA PRO 8 1.204 -5.000 22.452 41 HB2 PRO 8 HB2 PRO 8 0.522 -6.877 20.667 42 HB3 PRO 8 HB3 PRO 8 0.075 -7.086 22.376 43 HG2 PRO 8 HG2 PRO 8 -1.642 -6.159 20.086 44 HG3 PRO 8 HG3 PRO 8 -2.027 -7.319 21.378 45 HD2 PRO 8 HD2 PRO 8 -2.740 -4.616 21.419 46 HD3 PRO 8 HD3 PRO 8 -2.630 -5.655 22.856 47 H LEU 9 H LEU 9 -0.414 -2.672 21.088 48 HA LEU 9 HA LEU 9 0.071 -2.682 18.308 49 HB2 LEU 9 HB2 LEU 9 -0.210 -0.314 20.208 50 HB3 LEU 9 HB3 LEU 9 -0.265 -0.197 18.455 51 HG LEU 9 HG LEU 9 -2.288 -1.653 20.202 52 HD11 LEU 9 HD11 LEU 9 -2.468 0.776 20.409 53 HD12 LEU 9 HD12 LEU 9 -3.854 0.115 19.547 54 HD13 LEU 9 HD13 LEU 9 -2.573 0.944 18.654 55 HD21 LEU 9 HD21 LEU 9 -2.051 -2.801 18.062 56 HD22 LEU 9 HD22 LEU 9 -2.270 -1.284 17.185 57 HD23 LEU 9 HD23 LEU 9 -3.597 -1.960 18.134 58 H ALA 10 H ALA 10 1.962 -1.436 21.030 59 HA ALA 10 HA ALA 10 4.192 -0.557 19.431 60 HB1 ALA 10 HB1 ALA 10 3.981 -1.036 22.435 61 HB2 ALA 10 HB2 ALA 10 3.688 0.496 21.612 62 HB3 ALA 10 HB3 ALA 10 5.307 -0.206 21.611 63 H THR 11 H THR 11 4.887 -2.316 18.221 64 HA THR 11 HA THR 11 5.611 -4.858 19.362 65 HB THR 11 HB THR 11 5.033 -4.805 16.996 66 HG1 THR 11 HG1 THR 11 7.841 -5.245 17.003 67 HG21 THR 11 HG21 THR 11 5.730 -2.504 16.412 68 HG22 THR 11 HG22 THR 11 6.394 -3.681 15.280 69 HG23 THR 11 HG23 THR 11 7.429 -2.989 16.530 70 H GLY 12 H GLY 12 7.676 -5.611 19.865 71 HA2 GLY 12 HA2 GLY 12 9.616 -3.720 20.838 72 HA3 GLY 12 HA3 GLY 12 9.759 -5.474 20.846 73 H THR 13 H THR 13 12.044 -4.758 20.312 74 HA THR 13 HA THR 13 12.712 -3.640 17.795 75 HB THR 13 HB THR 13 14.474 -5.385 19.581 76 HG1 THR 13 HG1 THR 13 14.044 -2.559 19.598 77 HG21 THR 13 HG21 THR 13 16.351 -4.095 18.597 78 HG22 THR 13 HG22 THR 13 15.219 -3.261 17.529 79 HG23 THR 13 HG23 THR 13 15.478 -4.998 17.355 80 H THR 14 H THR 14 11.507 -4.781 16.263 81 HA THR 14 HA THR 14 12.747 -7.227 15.238 82 HB THR 14 HB THR 14 9.708 -7.014 15.605 83 HG1 THR 14 HG1 THR 14 11.667 -7.998 17.252 84 HG21 THR 14 HG21 THR 14 11.409 -9.335 14.600 85 HG22 THR 14 HG22 THR 14 10.363 -8.324 13.597 86 HG23 THR 14 HG23 THR 14 9.661 -9.358 14.840 87 H ALA 15 H ALA 15 13.616 -5.583 13.873 88 HA ALA 15 HA ALA 15 12.032 -3.941 12.149 89 HB1 ALA 15 HB1 ALA 15 14.339 -3.331 12.747 90 HB2 ALA 15 HB2 ALA 15 14.181 -3.484 10.996 91 HB3 ALA 15 HB3 ALA 15 14.957 -4.768 11.927 92 H ASN 16 H ASN 16 10.875 -4.656 10.463 93 HA ASN 16 HA ASN 16 11.822 -6.960 8.842 94 HB2 ASN 16 HB2 ASN 16 9.555 -7.318 9.711 95 HB3 ASN 16 HB3 ASN 16 9.030 -5.745 9.128 96 HD21 ASN 16 HD21 ASN 16 11.025 -8.052 7.280 97 HD22 ASN 16 HD22 ASN 16 9.833 -8.362 6.075 98 H THR 17 H THR 17 13.153 -6.083 7.334 99 HA THR 17 HA THR 17 12.725 -3.554 6.049 100 HB THR 17 HB THR 17 14.588 -5.835 5.230 101 HG1 THR 17 HG1 THR 17 14.658 -4.111 7.318 102 HG21 THR 17 HG21 THR 17 14.670 -2.874 4.496 103 HG22 THR 17 HG22 THR 17 14.269 -4.196 3.394 104 HG23 THR 17 HG23 THR 17 15.895 -4.069 4.070 105 H ARG 18 H ARG 18 10.584 -3.755 5.333 106 HA ARG 18 HA ARG 18 10.185 -5.168 2.795 107 HB2 ARG 18 HB2 ARG 18 9.312 -6.672 4.617 108 HB3 ARG 18 HB3 ARG 18 8.219 -5.387 5.119 109 HG2 ARG 18 HG2 ARG 18 7.030 -5.518 2.980 110 HG3 ARG 18 HG3 ARG 18 8.168 -6.735 2.393 111 HD2 ARG 18 HD2 ARG 18 6.214 -7.036 4.700 112 HD3 ARG 18 HD3 ARG 18 6.122 -7.835 3.130 113 HE ARG 18 HE ARG 18 7.679 -8.643 5.401 114 HH11 ARG 18 HH11 ARG 18 7.585 -8.802 1.878 115 HH12 ARG 18 HH12 ARG 18 8.563 -10.234 1.798 116 HH21 ARG 18 HH21 ARG 18 9.030 -10.490 5.249 117 HH22 ARG 18 HH22 ARG 18 9.378 -11.187 3.701 118 H GLY 19 H GLY 19 10.731 -2.802 2.521 119 HA2 GLY 19 HA2 GLY 19 8.372 -1.050 2.507 120 HA3 GLY 19 HA3 GLY 19 10.008 -0.637 1.999 121 H ALA 20 H ALA 20 7.361 -0.401 0.607 122 HA ALA 20 HA ALA 20 7.349 -2.182 -1.622 123 HB1 ALA 20 HB1 ALA 20 5.335 -0.937 -0.943 124 HB2 ALA 20 HB2 ALA 20 5.750 -0.582 -2.622 125 HB3 ALA 20 HB3 ALA 20 6.126 0.586 -1.354 126 H SER 21 H SER 21 9.301 -2.328 -2.602 127 HA SER 21 HA SER 21 11.010 -0.020 -3.083 128 HB2 SER 21 HB2 SER 21 11.489 -2.993 -3.534 129 HB3 SER 21 HB3 SER 21 12.710 -1.729 -3.700 130 HG SER 21 HG SER 21 11.256 -2.289 -1.321 131 H GLN 22 H GLN 22 9.010 0.513 -4.589 132 HA GLN 22 HA GLN 22 10.112 0.650 -7.220 133 HB2 GLN 22 HB2 GLN 22 8.769 -1.600 -7.097 134 HB3 GLN 22 HB3 GLN 22 7.329 -0.599 -7.069 135 HG2 GLN 22 HG2 GLN 22 9.348 -0.305 -9.302 136 HG3 GLN 22 HG3 GLN 22 8.188 -1.624 -9.324 137 HE21 GLN 22 HE21 GLN 22 7.037 -1.004 -11.090 138 HE22 GLN 22 HE22 GLN 22 6.107 0.451 -11.178 139 H LYS 23 H LYS 23 10.026 2.815 -7.195 140 HA LYS 23 HA LYS 23 7.885 4.174 -5.734 141 HB2 LYS 23 HB2 LYS 23 10.605 5.128 -6.685 142 HB3 LYS 23 HB3 LYS 23 9.434 6.163 -5.869 143 HG2 LYS 23 HG2 LYS 23 9.515 4.677 -3.878 144 HG3 LYS 23 HG3 LYS 23 10.719 3.667 -4.685 145 HD2 LYS 23 HD2 LYS 23 11.115 6.628 -4.087 146 HD3 LYS 23 HD3 LYS 23 11.647 5.334 -3.010 147 HE2 LYS 23 HE2 LYS 23 12.569 5.628 -5.893 148 HE3 LYS 23 HE3 LYS 23 13.457 6.227 -4.490 149 HZ1 LYS 23 HZ1 LYS 23 12.734 3.389 -4.942 150 HZ2 LYS 23 HZ2 LYS 23 13.654 3.989 -3.662 151 HZ3 LYS 23 HZ3 LYS 23 14.253 4.062 -5.241 152 H LYS 24 H LYS 24 6.611 3.376 -7.790 153 HA LYS 24 HA LYS 24 6.400 5.430 -9.817 154 HB2 LYS 24 HB2 LYS 24 4.272 4.352 -10.419 155 HB3 LYS 24 HB3 LYS 24 5.566 3.166 -10.271 156 HG2 LYS 24 HG2 LYS 24 4.728 2.476 -8.072 157 HG3 LYS 24 HG3 LYS 24 3.454 3.704 -8.150 158 HD2 LYS 24 HD2 LYS 24 2.530 2.586 -10.172 159 HD3 LYS 24 HD3 LYS 24 3.786 1.350 -10.054 160 HE2 LYS 24 HE2 LYS 24 2.875 0.597 -7.914 161 HE3 LYS 24 HE3 LYS 24 1.673 1.894 -7.945 162 HZ1 LYS 24 HZ1 LYS 24 0.717 -0.168 -8.694 163 HZ2 LYS 24 HZ2 LYS 24 1.885 -0.337 -9.889 164 HZ3 LYS 24 HZ3 LYS 24 0.765 0.929 -9.971 165 H GLY 25 H GLY 25 5.561 5.220 -6.522 166 HA2 GLY 25 HA2 GLY 25 3.780 7.566 -6.579 167 HA3 GLY 25 HA3 GLY 25 4.288 6.641 -5.167 168 H GLY 26 H GLY 26 6.507 7.723 -7.670 169 HA2 GLY 26 HA2 GLY 26 8.226 9.118 -5.832 170 HA3 GLY 26 HA3 GLY 26 8.453 8.920 -7.560 171 H GLU 27 H GLU 27 5.615 9.967 -7.849 172 HA GLU 27 HA GLU 27 6.085 12.707 -8.315 173 HB2 GLU 27 HB2 GLU 27 3.510 11.087 -8.053 174 HB3 GLU 27 HB3 GLU 27 3.544 12.770 -8.584 175 HG2 GLU 27 HG2 GLU 27 4.531 12.273 -10.629 176 HG3 GLU 27 HG3 GLU 27 5.298 10.804 -10.036 177 HA PRO 28 HA PRO 28 5.835 14.028 -3.945 178 HB2 PRO 28 HB2 PRO 28 5.975 16.792 -5.093 179 HB3 PRO 28 HB3 PRO 28 7.131 15.962 -4.036 180 HG2 PRO 28 HG2 PRO 28 7.733 16.454 -6.588 181 HG3 PRO 28 HG3 PRO 28 8.240 14.940 -5.799 182 HD2 PRO 28 HD2 PRO 28 5.877 15.401 -7.630 183 HD3 PRO 28 HD3 PRO 28 7.103 14.110 -7.673 184 HA PRO 29 HA PRO 29 1.590 15.667 -3.380 185 HB2 PRO 29 HB2 PRO 29 2.333 17.981 -1.667 186 HB3 PRO 29 HB3 PRO 29 1.456 16.499 -1.233 187 HG2 PRO 29 HG2 PRO 29 3.962 16.985 -0.355 188 HG3 PRO 29 HG3 PRO 29 3.376 15.343 -0.700 189 HD2 PRO 29 HD2 PRO 29 5.119 17.116 -2.407 190 HD3 PRO 29 HD3 PRO 29 5.272 15.378 -2.061 191 H ALA 30 H ALA 30 2.587 16.560 -5.809 192 HA ALA 30 HA ALA 30 2.210 19.297 -6.395 193 HB1 ALA 30 HB1 ALA 30 1.769 16.838 -8.149 194 HB2 ALA 30 HB2 ALA 30 3.278 17.742 -7.984 195 HB3 ALA 30 HB3 ALA 30 1.875 18.504 -8.732 196 H LEU 31 H LEU 31 0.058 16.495 -6.711 197 HA LEU 31 HA LEU 31 -2.383 18.055 -6.521 198 HB2 LEU 31 HB2 LEU 31 -1.848 15.046 -6.455 199 HB3 LEU 31 HB3 LEU 31 -3.447 15.732 -6.226 200 HG LEU 31 HG LEU 31 -3.374 16.659 -8.548 201 HD11 LEU 31 HD11 LEU 31 -1.671 15.948 -10.144 202 HD12 LEU 31 HD12 LEU 31 -0.770 15.150 -8.851 203 HD13 LEU 31 HD13 LEU 31 -0.963 16.906 -8.844 204 HD21 LEU 31 HD21 LEU 31 -3.684 14.521 -9.724 205 HD22 LEU 31 HD22 LEU 31 -4.446 14.498 -8.135 206 HD23 LEU 31 HD23 LEU 31 -2.910 13.663 -8.385 207 H ILE 32 H ILE 32 -2.075 19.191 -4.622 208 HA ILE 32 HA ILE 32 -1.076 18.274 -2.186 209 HB ILE 32 HB ILE 32 -2.281 20.300 -1.170 210 HG12 ILE 32 HG12 ILE 32 -3.125 20.752 -4.075 211 HG13 ILE 32 HG13 ILE 32 -4.208 20.417 -2.731 212 HG21 ILE 32 HG21 ILE 32 -0.813 21.946 -2.280 213 HG22 ILE 32 HG22 ILE 32 -0.507 20.805 -3.591 214 HG23 ILE 32 HG23 ILE 32 0.046 20.438 -1.954 215 HD11 ILE 32 HD11 ILE 32 -2.537 22.906 -3.089 216 HD12 ILE 32 HD12 ILE 32 -3.589 22.564 -1.714 217 HD13 ILE 32 HD13 ILE 32 -4.277 22.751 -3.324 218 H VAL 33 H VAL 33 -1.834 16.721 -0.938 219 HA VAL 33 HA VAL 33 -4.736 16.094 -0.884 220 HB VAL 33 HB VAL 33 -3.426 14.433 -2.181 221 HG11 VAL 33 HG11 VAL 33 -1.784 12.937 -1.118 222 HG12 VAL 33 HG12 VAL 33 -1.898 13.868 0.378 223 HG13 VAL 33 HG13 VAL 33 -1.247 14.621 -1.080 224 HG21 VAL 33 HG21 VAL 33 -4.510 13.300 0.422 225 HG22 VAL 33 HG22 VAL 33 -4.254 12.389 -1.066 226 HG23 VAL 33 HG23 VAL 33 -5.451 13.682 -1.020 227 H ASP 34 H ASP 34 -5.663 15.658 1.042 228 HA ASP 34 HA ASP 34 -4.129 15.168 3.470 229 HB2 ASP 34 HB2 ASP 34 -5.571 16.909 4.719 230 HB3 ASP 34 HB3 ASP 34 -4.262 17.533 3.731 231 HA PRO 35 HA PRO 35 -7.919 12.606 2.742 232 HB2 PRO 35 HB2 PRO 35 -6.807 10.150 2.752 233 HB3 PRO 35 HB3 PRO 35 -6.499 11.272 1.409 234 HG2 PRO 35 HG2 PRO 35 -4.723 10.571 3.719 235 HG3 PRO 35 HG3 PRO 35 -4.303 10.831 2.011 236 HD2 PRO 35 HD2 PRO 35 -4.055 12.764 4.046 237 HD3 PRO 35 HD3 PRO 35 -4.063 13.097 2.302 238 H LEU 36 H LEU 36 -7.045 13.646 5.443 239 HA LEU 36 HA LEU 36 -7.552 11.432 7.260 240 HB2 LEU 36 HB2 LEU 36 -7.266 12.985 9.101 241 HB3 LEU 36 HB3 LEU 36 -5.925 13.112 7.982 242 HG LEU 36 HG LEU 36 -8.200 15.133 7.911 243 HD11 LEU 36 HD11 LEU 36 -7.377 15.119 10.226 244 HD12 LEU 36 HD12 LEU 36 -6.926 16.608 9.399 245 HD13 LEU 36 HD13 LEU 36 -5.719 15.343 9.654 246 HD21 LEU 36 HD21 LEU 36 -6.653 15.129 5.994 247 HD22 LEU 36 HD22 LEU 36 -5.286 15.363 7.086 248 HD23 LEU 36 HD23 LEU 36 -6.521 16.617 6.927 249 H MET 37 H MET 37 -9.604 13.204 5.348 250 HA MET 37 HA MET 37 -11.929 13.084 7.098 251 HB2 MET 37 HB2 MET 37 -11.737 13.238 4.044 252 HB3 MET 37 HB3 MET 37 -13.238 13.338 4.955 253 HG2 MET 37 HG2 MET 37 -10.956 15.311 5.165 254 HG3 MET 37 HG3 MET 37 -12.418 15.541 4.203 255 HE1 MET 37 HE1 MET 37 -11.459 17.698 6.355 256 HE2 MET 37 HE2 MET 37 -12.980 18.059 7.172 257 HE3 MET 37 HE3 MET 37 -12.950 17.871 5.420 258 H LYS 38 H LYS 38 -11.152 11.333 4.100 259 HA LYS 38 HA LYS 38 -11.495 8.702 5.366 260 HB2 LYS 38 HB2 LYS 38 -12.979 9.660 2.870 261 HB3 LYS 38 HB3 LYS 38 -12.659 7.949 3.147 262 HG2 LYS 38 HG2 LYS 38 -13.929 8.031 5.246 263 HG3 LYS 38 HG3 LYS 38 -14.251 9.750 4.999 264 HD2 LYS 38 HD2 LYS 38 -15.578 9.263 3.006 265 HD3 LYS 38 HD3 LYS 38 -15.144 7.551 3.088 266 HE2 LYS 38 HE2 LYS 38 -17.419 7.939 3.957 267 HE3 LYS 38 HE3 LYS 38 -16.349 7.328 5.219 268 HZ1 LYS 38 HZ1 LYS 38 -16.103 9.616 6.025 269 HZ2 LYS 38 HZ2 LYS 38 -17.714 9.111 6.050 270 HZ3 LYS 38 HZ3 LYS 38 -17.175 10.158 4.839 271 H TYR 39 H TYR 39 -9.929 7.299 4.671 272 HA TYR 39 HA TYR 39 -7.720 8.458 3.281 273 HB2 TYR 39 HB2 TYR 39 -8.180 5.750 4.568 274 HB3 TYR 39 HB3 TYR 39 -6.699 6.108 3.674 275 HD1 TYR 39 HD2 TYR 39 -5.280 8.095 4.397 276 HD2 TYR 39 HD1 TYR 39 -8.424 6.568 6.863 277 HE1 TYR 39 HE2 TYR 39 -4.331 9.273 6.328 278 HE2 TYR 39 HE1 TYR 39 -7.469 7.756 8.794 279 HH TYR 39 HH TYR 39 -4.906 10.073 8.472 280 H ILE 40 H ILE 40 -7.089 8.261 1.286 281 HA ILE 40 HA ILE 40 -8.750 6.773 -0.658 282 HB ILE 40 HB ILE 40 -7.398 9.507 -0.871 283 HG12 ILE 40 HG12 ILE 40 -10.348 8.726 -0.974 284 HG13 ILE 40 HG13 ILE 40 -9.542 9.513 0.376 285 HG21 ILE 40 HG21 ILE 40 -7.146 8.364 -3.027 286 HG22 ILE 40 HG22 ILE 40 -8.315 9.679 -3.164 287 HG23 ILE 40 HG23 ILE 40 -8.874 8.011 -3.061 288 HD11 ILE 40 HD11 ILE 40 -9.987 10.701 -2.362 289 HD12 ILE 40 HD12 ILE 40 -9.160 11.491 -1.017 290 HD13 ILE 40 HD13 ILE 40 -10.868 11.085 -0.884 291 H CYS 41 H CYS 41 -7.682 5.381 -1.946 292 HA CYS 41 HA CYS 41 -4.800 5.243 -2.076 293 HB2 CYS 41 HB2 CYS 41 -6.158 3.178 -2.167 294 HB3 CYS 41 HB3 CYS 41 -6.942 3.745 -3.636 295 H HIS 42 H HIS 42 -3.730 6.666 -3.248 296 HA HIS 42 HA HIS 42 -4.810 8.633 -4.912 297 HB2 HIS 42 HB2 HIS 42 -2.564 8.825 -3.838 298 HB3 HIS 42 HB3 HIS 42 -1.922 7.650 -4.981 299 HD1 HIS 42 HD1 HIS 42 -0.706 8.751 -6.865 300 HD2 HIS 42 HD2 HIS 42 -3.778 11.156 -5.430 301 HE1 HIS 42 HE1 HIS 42 -0.608 10.856 -8.218 302 HE2 HIS 42 HE2 HIS 42 -2.607 12.187 -7.480 303 H ILE 43 H ILE 43 -3.251 5.602 -5.817 304 HA ILE 43 HA ILE 43 -3.269 5.763 -8.605 305 HB ILE 43 HB ILE 43 -3.557 3.250 -6.887 306 HG12 ILE 43 HG12 ILE 43 -1.024 4.631 -7.906 307 HG13 ILE 43 HG13 ILE 43 -1.581 4.641 -6.237 308 HG21 ILE 43 HG21 ILE 43 -2.542 3.569 -9.739 309 HG22 ILE 43 HG22 ILE 43 -4.068 2.823 -9.264 310 HG23 ILE 43 HG23 ILE 43 -2.542 2.062 -8.815 311 HD11 ILE 43 HD11 ILE 43 0.230 3.082 -6.532 312 HD12 ILE 43 HD12 ILE 43 -0.657 2.224 -7.791 313 HD13 ILE 43 HD13 ILE 43 -1.247 2.209 -6.126 314 H CYS 44 H CYS 44 -5.721 4.498 -6.369 315 HA CYS 44 HA CYS 44 -7.582 3.651 -8.424 316 HB2 CYS 44 HB2 CYS 44 -8.021 3.835 -5.405 317 HB3 CYS 44 HB3 CYS 44 -8.935 2.855 -6.569 318 H ASN 45 H ASN 45 -6.903 6.535 -6.738 319 HA ASN 45 HA ASN 45 -7.805 8.574 -6.492 320 HB2 ASN 45 HB2 ASN 45 -9.698 7.752 -8.741 321 HB3 ASN 45 HB3 ASN 45 -9.438 9.403 -8.185 322 HD21 ASN 45 HD21 ASN 45 -8.097 6.744 -9.996 323 HD22 ASN 45 HD22 ASN 45 -6.779 7.620 -10.689 324 H ARG 46 H ARG 46 -9.031 6.109 -5.164 325 HA ARG 46 HA ARG 46 -11.121 7.409 -3.650 326 HB2 ARG 46 HB2 ARG 46 -12.909 5.824 -4.214 327 HB3 ARG 46 HB3 ARG 46 -12.355 6.633 -5.679 328 HG2 ARG 46 HG2 ARG 46 -10.964 4.634 -6.233 329 HG3 ARG 46 HG3 ARG 46 -11.597 3.823 -4.797 330 HD2 ARG 46 HD2 ARG 46 -13.889 4.032 -5.751 331 HD3 ARG 46 HD3 ARG 46 -13.182 4.740 -7.208 332 HE ARG 46 HE ARG 46 -12.742 1.964 -6.257 333 HH11 ARG 46 HH11 ARG 46 -12.867 4.259 -8.917 334 HH12 ARG 46 HH12 ARG 46 -12.599 3.041 -10.125 335 HH21 ARG 46 HH21 ARG 46 -12.348 0.409 -7.833 336 HH22 ARG 46 HH22 ARG 46 -12.305 0.873 -9.508 337 H GLY 47 H GLY 47 -12.094 5.761 -2.039 338 HA2 GLY 47 HA2 GLY 47 -10.072 4.402 -0.567 339 HA3 GLY 47 HA3 GLY 47 -11.801 4.336 -0.267 340 H ASP 48 H ASP 48 -12.774 3.249 -2.563 341 HA ASP 48 HA ASP 48 -13.139 1.432 -3.811 342 HB2 ASP 48 HB2 ASP 48 -11.029 2.002 -4.895 343 HB3 ASP 48 HB3 ASP 48 -10.119 1.165 -3.654 344 H VAL 49 H VAL 49 -10.470 -0.264 -2.180 345 HA VAL 49 HA VAL 49 -12.403 -1.910 -0.648 346 HB VAL 49 HB VAL 49 -9.875 -2.894 -2.081 347 HG11 VAL 49 HG11 VAL 49 -10.138 -4.030 0.092 348 HG12 VAL 49 HG12 VAL 49 -10.468 -5.147 -1.233 349 HG13 VAL 49 HG13 VAL 49 -11.807 -4.451 -0.315 350 HG21 VAL 49 HG21 VAL 49 -11.782 -2.609 -3.630 351 HG22 VAL 49 HG22 VAL 49 -12.802 -3.600 -2.585 352 HG23 VAL 49 HG23 VAL 49 -11.414 -4.323 -3.408 353 H GLU 50 H GLU 50 -12.137 -0.851 1.241 354 HA GLU 50 HA GLU 50 -9.816 0.441 2.170 355 HB2 GLU 50 HB2 GLU 50 -12.171 0.995 2.814 356 HB3 GLU 50 HB3 GLU 50 -12.249 -0.499 3.738 357 HG2 GLU 50 HG2 GLU 50 -10.351 0.391 5.165 358 HG3 GLU 50 HG3 GLU 50 -10.520 1.929 4.316 359 H GLU 51 H GLU 51 -11.029 -2.837 2.686 360 HA GLU 51 HA GLU 51 -9.391 -3.626 4.848 361 HB2 GLU 51 HB2 GLU 51 -11.432 -4.833 4.084 362 HB3 GLU 51 HB3 GLU 51 -10.592 -5.317 2.614 363 HG2 GLU 51 HG2 GLU 51 -8.900 -6.506 4.119 364 HG3 GLU 51 HG3 GLU 51 -10.003 -6.191 5.460 365 H SER 52 H SER 52 -8.848 -3.645 1.334 366 HA SER 52 HA SER 52 -6.343 -5.109 1.463 367 HB2 SER 52 HB2 SER 52 -7.811 -5.283 -0.528 368 HB3 SER 52 HB3 SER 52 -7.608 -3.559 -0.841 369 HG SER 52 HG SER 52 -6.043 -5.589 -1.585 370 H MET 53 H MET 53 -7.393 -1.848 1.730 371 HA MET 53 HA MET 53 -4.969 -0.499 1.070 372 HB2 MET 53 HB2 MET 53 -7.094 0.669 0.964 373 HB3 MET 53 HB3 MET 53 -7.446 0.312 2.648 374 HG2 MET 53 HG2 MET 53 -5.606 1.787 3.347 375 HG3 MET 53 HG3 MET 53 -5.250 2.142 1.654 376 HE1 MET 53 HE1 MET 53 -8.141 2.357 0.332 377 HE2 MET 53 HE2 MET 53 -6.853 3.532 0.050 378 HE3 MET 53 HE3 MET 53 -8.460 4.082 0.522 379 H LEU 54 H LEU 54 -3.161 -0.681 2.222 380 HA LEU 54 HA LEU 54 -3.192 -0.978 5.155 381 HB2 LEU 54 HB2 LEU 54 -0.860 -0.964 3.187 382 HB3 LEU 54 HB3 LEU 54 -0.657 -0.965 4.930 383 HG LEU 54 HG LEU 54 -2.011 -3.176 4.939 384 HD11 LEU 54 HD11 LEU 54 -1.320 -3.124 1.996 385 HD12 LEU 54 HD12 LEU 54 -2.941 -3.071 2.696 386 HD13 LEU 54 HD13 LEU 54 -1.946 -4.514 2.891 387 HD21 LEU 54 HD21 LEU 54 0.386 -3.095 5.390 388 HD22 LEU 54 HD22 LEU 54 0.733 -3.160 3.660 389 HD23 LEU 54 HD23 LEU 54 -0.030 -4.537 4.463 390 H LEU 55 H LEU 55 -2.143 0.590 6.479 391 HA LEU 55 HA LEU 55 -2.471 3.339 5.458 392 HB2 LEU 55 HB2 LEU 55 -3.687 2.265 7.604 393 HB3 LEU 55 HB3 LEU 55 -2.186 2.665 8.411 394 HG LEU 55 HG LEU 55 -3.888 4.406 8.791 395 HD11 LEU 55 HD11 LEU 55 -2.676 6.426 8.155 396 HD12 LEU 55 HD12 LEU 55 -1.704 5.510 7.000 397 HD13 LEU 55 HD13 LEU 55 -1.562 5.185 8.729 398 HD21 LEU 55 HD21 LEU 55 -5.208 4.050 6.741 399 HD22 LEU 55 HD22 LEU 55 -3.941 4.825 5.786 400 HD23 LEU 55 HD23 LEU 55 -4.831 5.754 6.993 401 H CYS 56 H CYS 56 -0.650 4.470 5.079 402 HA CYS 56 HA CYS 56 1.950 3.443 5.485 403 HB2 CYS 56 HB2 CYS 56 1.254 4.954 3.636 404 HB3 CYS 56 HB3 CYS 56 1.142 6.284 4.789 405 H ASP 57 H ASP 57 3.220 3.569 7.183 406 HA ASP 57 HA ASP 57 2.455 4.644 9.672 407 HB2 ASP 57 HB2 ASP 57 3.732 2.557 9.373 408 HB3 ASP 57 HB3 ASP 57 5.088 3.448 8.699 409 H GLY 58 H GLY 58 4.437 5.862 7.079 410 HA2 GLY 58 HA2 GLY 58 5.810 7.869 8.729 411 HA3 GLY 58 HA3 GLY 58 6.169 7.439 7.068 412 H CYS 59 H CYS 59 2.854 7.832 7.255 413 HA CYS 59 HA CYS 59 2.521 10.643 7.113 414 HB2 CYS 59 HB2 CYS 59 2.210 10.905 4.623 415 HB3 CYS 59 HB3 CYS 59 3.869 10.538 5.074 416 H ASP 60 H ASP 60 0.446 10.579 4.949 417 HA ASP 60 HA ASP 60 -1.611 8.924 6.283 418 HB2 ASP 60 HB2 ASP 60 -1.826 11.722 5.084 419 HB3 ASP 60 HB3 ASP 60 -3.235 10.738 5.465 420 H ASP 61 H ASP 61 0.086 9.237 3.331 421 HA ASP 61 HA ASP 61 -2.026 8.778 1.487 422 HB2 ASP 61 HB2 ASP 61 -0.241 7.845 -0.078 423 HB3 ASP 61 HB3 ASP 61 -0.006 9.484 0.437 424 H SER 62 H SER 62 -2.893 6.932 0.648 425 HA SER 62 HA SER 62 -2.457 4.410 2.171 426 HB2 SER 62 HB2 SER 62 -5.085 5.669 1.264 427 HB3 SER 62 HB3 SER 62 -4.910 4.127 2.101 428 HG SER 62 HG SER 62 -3.885 6.519 3.194 429 H TYR 63 H TYR 63 -2.426 2.555 0.966 430 HA TYR 63 HA TYR 63 -3.108 2.575 -1.903 431 HB2 TYR 63 HB2 TYR 63 -0.360 1.675 -0.883 432 HB3 TYR 63 HB3 TYR 63 -0.939 1.492 -2.529 433 HD1 TYR 63 HD1 TYR 63 0.046 4.059 0.023 434 HD2 TYR 63 HD2 TYR 63 -0.648 3.286 -4.131 435 HE1 TYR 63 HE1 TYR 63 0.956 6.270 -0.528 436 HE2 TYR 63 HE2 TYR 63 0.278 5.508 -4.672 437 HH TYR 63 HH TYR 63 1.925 7.436 -2.308 438 H HIS 64 H HIS 64 -3.563 0.499 -2.732 439 HA HIS 64 HA HIS 64 -4.253 -1.549 -0.755 440 HB2 HIS 64 HB2 HIS 64 -4.746 -1.541 -3.766 441 HB3 HIS 64 HB3 HIS 64 -5.430 -2.675 -2.612 442 HD2 HIS 64 HD2 HIS 64 -7.062 -1.260 -0.613 443 HE1 HIS 64 HE1 HIS 64 -8.241 1.554 -3.499 444 HE2 HIS 64 HE2 HIS 64 -8.625 0.712 -1.157 445 H THR 65 H THR 65 -3.662 -3.802 -1.068 446 HA THR 65 HA THR 65 -0.954 -4.368 -1.459 447 HB THR 65 HB THR 65 -1.660 -6.807 -1.576 448 HG1 THR 65 HG1 THR 65 -4.296 -6.241 -0.952 449 HG21 THR 65 HG21 THR 65 -2.601 -6.932 0.688 450 HG22 THR 65 HG22 THR 65 -2.993 -5.212 0.637 451 HG23 THR 65 HG23 THR 65 -1.306 -5.738 0.617 452 H PHE 66 H PHE 66 -3.689 -5.059 -3.627 453 HA PHE 66 HA PHE 66 -2.040 -6.118 -5.724 454 HB2 PHE 66 HB2 PHE 66 -4.168 -6.406 -6.962 455 HB3 PHE 66 HB3 PHE 66 -4.257 -7.066 -5.338 456 HD1 PHE 66 HD1 PHE 66 -5.677 -5.964 -3.603 457 HD2 PHE 66 HD2 PHE 66 -5.595 -4.530 -7.633 458 HE1 PHE 66 HE1 PHE 66 -7.756 -4.705 -3.204 459 HE2 PHE 66 HE2 PHE 66 -7.663 -3.274 -7.220 460 HZ PHE 66 HZ PHE 66 -8.747 -3.360 -5.010 461 H CYS 67 H CYS 67 -3.079 -2.902 -4.932 462 HA CYS 67 HA CYS 67 -3.034 -1.803 -7.565 463 HB2 CYS 67 HB2 CYS 67 -2.840 -0.529 -4.814 464 HB3 CYS 67 HB3 CYS 67 -2.893 0.407 -6.324 465 H LEU 68 H LEU 68 -0.487 -2.857 -5.574 466 HA LEU 68 HA LEU 68 1.494 -1.042 -6.838 467 HB2 LEU 68 HB2 LEU 68 1.663 -2.710 -4.290 468 HB3 LEU 68 HB3 LEU 68 2.966 -1.708 -4.914 469 HG LEU 68 HG LEU 68 0.255 -0.583 -4.058 470 HD11 LEU 68 HD11 LEU 68 2.822 -0.671 -2.446 471 HD12 LEU 68 HD12 LEU 68 1.359 -1.614 -2.135 472 HD13 LEU 68 HD13 LEU 68 1.317 0.141 -1.992 473 HD21 LEU 68 HD21 LEU 68 2.893 0.830 -4.619 474 HD22 LEU 68 HD22 LEU 68 1.400 1.592 -4.059 475 HD23 LEU 68 HD23 LEU 68 1.460 0.846 -5.653 476 H LEU 69 H LEU 69 3.326 -1.901 -7.803 477 HA LEU 69 HA LEU 69 3.702 -4.832 -7.898 478 HB2 LEU 69 HB2 LEU 69 3.990 -2.878 -10.214 479 HB3 LEU 69 HB3 LEU 69 4.737 -4.469 -10.224 480 HG LEU 69 HG LEU 69 1.734 -3.984 -10.038 481 HD11 LEU 69 HD11 LEU 69 3.400 -4.857 -12.419 482 HD12 LEU 69 HD12 LEU 69 2.589 -3.299 -12.222 483 HD13 LEU 69 HD13 LEU 69 1.636 -4.774 -12.355 484 HD21 LEU 69 HD21 LEU 69 3.289 -6.567 -10.414 485 HD22 LEU 69 HD22 LEU 69 1.532 -6.399 -10.465 486 HD23 LEU 69 HD23 LEU 69 2.400 -6.083 -8.965 487 HA PRO 70 HA PRO 70 5.194 -6.314 -7.409 488 HB2 PRO 70 HB2 PRO 70 6.585 -7.123 -5.183 489 HB3 PRO 70 HB3 PRO 70 7.333 -7.037 -6.792 490 HG2 PRO 70 HG2 PRO 70 7.488 -5.041 -4.548 491 HG3 PRO 70 HG3 PRO 70 8.787 -5.667 -5.590 492 HD2 PRO 70 HD2 PRO 70 7.615 -3.256 -6.054 493 HD3 PRO 70 HD3 PRO 70 8.230 -4.277 -7.371 494 HA PRO 71 HA PRO 71 1.880 -5.341 -4.563 495 HB2 PRO 71 HB2 PRO 71 0.685 -7.811 -4.327 496 HB3 PRO 71 HB3 PRO 71 0.588 -6.845 -5.814 497 HG2 PRO 71 HG2 PRO 71 2.445 -9.121 -5.179 498 HG3 PRO 71 HG3 PRO 71 1.500 -8.825 -6.656 499 HD2 PRO 71 HD2 PRO 71 4.130 -8.199 -6.512 500 HD3 PRO 71 HD3 PRO 71 2.989 -7.212 -7.457 501 H LEU 72 H LEU 72 1.137 -5.742 -2.404 502 HA LEU 72 HA LEU 72 3.202 -6.635 -0.568 503 HB2 LEU 72 HB2 LEU 72 0.406 -5.596 0.045 504 HB3 LEU 72 HB3 LEU 72 1.744 -5.750 1.184 505 HG LEU 72 HG LEU 72 1.693 -3.853 -1.210 506 HD11 LEU 72 HD11 LEU 72 0.062 -3.155 0.463 507 HD12 LEU 72 HD12 LEU 72 1.418 -2.034 0.388 508 HD13 LEU 72 HD13 LEU 72 1.305 -3.189 1.720 509 HD21 LEU 72 HD21 LEU 72 3.976 -4.548 -0.647 510 HD22 LEU 72 HD22 LEU 72 3.729 -4.073 1.036 511 HD23 LEU 72 HD23 LEU 72 3.720 -2.852 -0.239 512 H THR 73 H THR 73 3.094 -8.820 -1.490 513 HA THR 73 HA THR 73 0.856 -10.551 -1.113 514 HB THR 73 HB THR 73 2.543 -12.384 -1.622 515 HG1 THR 73 HG1 THR 73 4.644 -11.811 -2.096 516 HG21 THR 73 HG21 THR 73 2.998 -11.694 -3.958 517 HG22 THR 73 HG22 THR 73 2.549 -10.035 -3.559 518 HG23 THR 73 HG23 THR 73 1.337 -11.316 -3.484 519 H SER 74 H SER 74 3.638 -9.642 0.825 520 HA SER 74 HA SER 74 2.544 -11.177 3.109 521 HB2 SER 74 HB2 SER 74 5.385 -10.122 2.771 522 HB3 SER 74 HB3 SER 74 4.779 -11.180 4.047 523 HG SER 74 HG SER 74 4.186 -12.460 1.904 524 H ILE 75 H ILE 75 1.739 -9.959 4.685 525 HA ILE 75 HA ILE 75 1.749 -7.091 4.601 526 HB ILE 75 HB ILE 75 0.611 -9.001 6.691 527 HG12 ILE 75 HG12 ILE 75 -0.386 -9.295 4.439 528 HG13 ILE 75 HG13 ILE 75 -1.566 -8.618 5.561 529 HG21 ILE 75 HG21 ILE 75 0.088 -6.020 6.347 530 HG22 ILE 75 HG22 ILE 75 0.950 -6.780 7.688 531 HG23 ILE 75 HG23 ILE 75 -0.772 -7.088 7.460 532 HD11 ILE 75 HD11 ILE 75 -1.171 -6.378 4.571 533 HD12 ILE 75 HD12 ILE 75 -1.751 -7.562 3.404 534 HD13 ILE 75 HD13 ILE 75 -0.048 -7.114 3.421 535 HA PRO 76 HA PRO 76 5.485 -6.913 7.153 536 HB2 PRO 76 HB2 PRO 76 5.763 -4.173 7.257 537 HB3 PRO 76 HB3 PRO 76 6.226 -5.152 5.852 538 HG2 PRO 76 HG2 PRO 76 3.827 -3.437 6.232 539 HG3 PRO 76 HG3 PRO 76 4.742 -3.786 4.752 540 HD2 PRO 76 HD2 PRO 76 2.306 -4.973 5.465 541 HD3 PRO 76 HD3 PRO 76 3.432 -5.614 4.253 542 H LYS 77 H LYS 77 4.709 -7.734 9.010 543 HA LYS 77 HA LYS 77 2.927 -6.655 10.864 544 HB2 LYS 77 HB2 LYS 77 5.287 -8.530 11.312 545 HB3 LYS 77 HB3 LYS 77 4.020 -8.217 12.500 546 HG2 LYS 77 HG2 LYS 77 2.328 -9.202 11.043 547 HG3 LYS 77 HG3 LYS 77 3.505 -9.402 9.741 548 HD2 LYS 77 HD2 LYS 77 3.671 -10.784 12.455 549 HD3 LYS 77 HD3 LYS 77 3.022 -11.521 10.990 550 HE2 LYS 77 HE2 LYS 77 5.881 -10.553 11.361 551 HE3 LYS 77 HE3 LYS 77 5.342 -12.233 11.383 552 HZ1 LYS 77 HZ1 LYS 77 4.637 -11.998 9.080 553 HZ2 LYS 77 HZ2 LYS 77 6.274 -11.632 9.252 554 HZ3 LYS 77 HZ3 LYS 77 5.156 -10.389 9.059 555 H GLY 78 H GLY 78 3.124 -4.690 11.646 556 HA2 GLY 78 HA2 GLY 78 4.285 -3.257 13.347 557 HA3 GLY 78 HA3 GLY 78 5.754 -3.535 12.408 558 H GLU 79 H GLU 79 2.774 -3.356 10.740 559 HA GLU 79 HA GLU 79 1.795 -2.058 9.273 560 HB2 GLU 79 HB2 GLU 79 3.018 0.270 10.783 561 HB3 GLU 79 HB3 GLU 79 1.763 0.419 9.550 562 HG2 GLU 79 HG2 GLU 79 0.386 -1.213 11.015 563 HG3 GLU 79 HG3 GLU 79 1.566 -0.876 12.283 564 H TRP 80 H TRP 80 2.341 0.022 7.669 565 HA TRP 80 HA TRP 80 4.610 -1.102 6.123 566 HB2 TRP 80 HB2 TRP 80 2.573 -2.092 5.331 567 HB3 TRP 80 HB3 TRP 80 1.719 -0.557 5.349 568 HD1 TRP 80 HD1 TRP 80 4.611 -2.266 3.346 569 HE1 TRP 80 HE1 TRP 80 4.508 -1.336 0.950 570 HE3 TRP 80 HE3 TRP 80 0.888 1.156 3.990 571 HZ2 TRP 80 HZ2 TRP 80 3.026 0.591 -0.477 572 HZ3 TRP 80 HZ3 TRP 80 0.172 2.516 2.057 573 HH2 TRP 80 HH2 TRP 80 1.235 2.227 -0.126 574 H LEU 81 H LEU 81 5.784 0.267 4.886 575 HA LEU 81 HA LEU 81 5.173 3.167 4.874 576 HB2 LEU 81 HB2 LEU 81 7.772 1.657 4.383 577 HB3 LEU 81 HB3 LEU 81 7.600 3.393 4.175 578 HG LEU 81 HG LEU 81 7.270 1.904 6.817 579 HD11 LEU 81 HD11 LEU 81 9.555 3.661 5.862 580 HD12 LEU 81 HD12 LEU 81 9.601 1.907 6.073 581 HD13 LEU 81 HD13 LEU 81 9.386 2.953 7.472 582 HD21 LEU 81 HD21 LEU 81 5.859 3.913 6.719 583 HD22 LEU 81 HD22 LEU 81 7.254 4.894 6.258 584 HD23 LEU 81 HD23 LEU 81 7.192 4.131 7.850 585 H CYS 82 H CYS 82 4.474 4.017 3.033 586 HA CYS 82 HA CYS 82 4.115 2.659 0.566 587 HB2 CYS 82 HB2 CYS 82 3.384 4.836 -0.283 588 HB3 CYS 82 HB3 CYS 82 2.712 4.579 1.336 589 HA PRO 83 HA PRO 83 7.979 3.142 -1.746 590 HB2 PRO 83 HB2 PRO 83 6.375 4.804 -3.716 591 HB3 PRO 83 HB3 PRO 83 7.512 3.473 -4.024 592 HG2 PRO 83 HG2 PRO 83 4.910 3.013 -4.165 593 HG3 PRO 83 HG3 PRO 83 5.989 1.823 -3.398 594 HD2 PRO 83 HD2 PRO 83 4.078 3.738 -2.099 595 HD3 PRO 83 HD3 PRO 83 4.546 2.092 -1.605 596 H ARG 84 H ARG 84 6.001 6.036 -1.469 597 HA ARG 84 HA ARG 84 7.923 8.069 -1.793 598 HB2 ARG 84 HB2 ARG 84 5.483 8.416 -1.985 599 HB3 ARG 84 HB3 ARG 84 5.273 7.997 -0.293 600 HG2 ARG 84 HG2 ARG 84 5.067 10.394 -0.601 601 HG3 ARG 84 HG3 ARG 84 6.493 10.034 0.373 602 HD2 ARG 84 HD2 ARG 84 7.934 10.370 -1.597 603 HD3 ARG 84 HD3 ARG 84 6.510 10.691 -2.599 604 HE ARG 84 HE ARG 84 6.430 12.458 -0.453 605 HH11 ARG 84 HH11 ARG 84 8.560 11.858 -3.186 606 HH12 ARG 84 HH12 ARG 84 9.079 13.508 -3.292 607 HH21 ARG 84 HH21 ARG 84 7.086 14.618 -0.625 608 HH22 ARG 84 HH22 ARG 84 8.243 15.082 -1.834 609 H CYS 85 H CYS 85 6.673 6.444 1.150 610 HA CYS 85 HA CYS 85 8.268 8.027 2.970 611 HB2 CYS 85 HB2 CYS 85 6.522 5.580 3.456 612 HB3 CYS 85 HB3 CYS 85 7.236 6.598 4.716 613 H VAL 86 H VAL 86 8.525 4.836 1.506 614 HA VAL 86 HA VAL 86 10.604 3.695 2.945 615 HB VAL 86 HB VAL 86 9.970 3.469 -0.034 616 HG11 VAL 86 HG11 VAL 86 11.289 1.370 -0.073 617 HG12 VAL 86 HG12 VAL 86 11.790 1.655 1.596 618 HG13 VAL 86 HG13 VAL 86 12.303 2.760 0.324 619 HG21 VAL 86 HG21 VAL 86 8.155 2.702 1.460 620 HG22 VAL 86 HG22 VAL 86 9.274 1.597 2.254 621 HG23 VAL 86 HG23 VAL 86 8.858 1.358 0.557 622 H VAL 87 H VAL 87 10.813 5.662 -0.014 623 HA VAL 87 HA VAL 87 12.308 7.096 -0.860 624 HB VAL 87 HB VAL 87 13.825 6.922 1.776 625 HG11 VAL 87 HG11 VAL 87 15.357 7.635 -0.007 626 HG12 VAL 87 HG12 VAL 87 15.001 8.996 1.056 627 HG13 VAL 87 HG13 VAL 87 14.219 8.882 -0.523 628 HG21 VAL 87 HG21 VAL 87 12.794 9.150 2.241 629 HG22 VAL 87 HG22 VAL 87 11.585 7.875 2.053 630 HG23 VAL 87 HG23 VAL 87 11.870 9.016 0.736 631 H GLU 88 H GLU 88 14.055 4.570 0.931 632 HA GLU 88 HA GLU 88 16.038 4.137 -1.096 633 HB2 GLU 88 HB2 GLU 88 15.306 2.463 1.359 634 HB3 GLU 88 HB3 GLU 88 16.779 2.296 0.402 635 HG2 GLU 88 HG2 GLU 88 17.448 4.595 1.061 636 HG3 GLU 88 HG3 GLU 88 15.994 4.720 2.056 637 H GLU 89 H GLU 89 16.227 1.376 -1.175 638 HA GLU 89 HA GLU 89 13.858 -0.008 -1.895 639 HB2 GLU 89 HB2 GLU 89 14.331 -0.214 -4.363 640 HB3 GLU 89 HB3 GLU 89 13.852 1.408 -3.880 641 HG2 GLU 89 HG2 GLU 89 16.210 2.143 -3.955 642 HG3 GLU 89 HG3 GLU 89 16.709 0.519 -4.415 643 H VAL 90 H VAL 90 14.323 -2.237 -2.286 644 HA VAL 90 HA VAL 90 17.040 -3.142 -1.821 645 HB VAL 90 HB VAL 90 15.237 -4.467 -0.859 646 HG11 VAL 90 HG11 VAL 90 14.232 -5.022 -3.664 647 HG12 VAL 90 HG12 VAL 90 13.414 -4.066 -2.429 648 HG13 VAL 90 HG13 VAL 90 13.641 -5.801 -2.193 649 HG21 VAL 90 HG21 VAL 90 15.902 -6.719 -1.599 650 HG22 VAL 90 HG22 VAL 90 17.300 -5.648 -1.468 651 HG23 VAL 90 HG23 VAL 90 16.629 -6.032 -3.055 652 H SER 91 H SER 91 18.097 -2.094 -3.495 653 HA SER 91 HA SER 91 17.445 -2.133 -6.237 654 HB2 SER 91 HB2 SER 91 18.985 -0.463 -5.280 655 HB3 SER 91 HB3 SER 91 20.166 -1.721 -4.911 656 HG SER 91 HG SER 91 20.805 -1.682 -6.926 657 H LYS 92 H LYS 92 17.318 -3.856 -7.456 658 HA LYS 92 HA LYS 92 17.522 -5.867 -8.422 659 HB2 LYS 92 HB2 LYS 92 20.303 -6.085 -7.191 660 HB3 LYS 92 HB3 LYS 92 19.679 -7.037 -8.536 661 HG2 LYS 92 HG2 LYS 92 20.179 -4.040 -8.558 662 HG3 LYS 92 HG3 LYS 92 21.221 -5.260 -9.296 663 HD2 LYS 92 HD2 LYS 92 19.527 -5.815 -10.937 664 HD3 LYS 92 HD3 LYS 92 18.313 -4.842 -10.101 665 HE2 LYS 92 HE2 LYS 92 19.206 -3.732 -12.140 666 HE3 LYS 92 HE3 LYS 92 19.486 -2.793 -10.674 667 HZ1 LYS 92 HZ1 LYS 92 21.501 -4.533 -11.991 668 HZ2 LYS 92 HZ2 LYS 92 21.756 -3.539 -10.646 669 HZ3 LYS 92 HZ3 LYS 92 21.415 -2.851 -12.150 670 HA PRO 93 HA PRO 93 15.857 -7.645 -4.435 671 HB2 PRO 93 HB2 PRO 93 14.070 -8.967 -6.490 672 HB3 PRO 93 HB3 PRO 93 13.633 -8.149 -4.972 673 HG2 PRO 93 HG2 PRO 93 13.195 -6.926 -7.276 674 HG3 PRO 93 HG3 PRO 93 13.854 -6.006 -5.899 675 HD2 PRO 93 HD2 PRO 93 15.316 -7.114 -8.300 676 HD3 PRO 93 HD3 PRO 93 15.467 -5.515 -7.533 677 H GLN 94 H GLN 94 15.348 -9.943 -3.810 678 HA GLN 94 HA GLN 94 16.014 -12.021 -3.317 679 HB2 GLN 94 HB2 GLN 94 16.801 -12.225 -6.251 680 HB3 GLN 94 HB3 GLN 94 16.690 -13.589 -5.143 681 HG2 GLN 94 HG2 GLN 94 14.258 -13.147 -4.893 682 HG3 GLN 94 HG3 GLN 94 14.392 -11.816 -6.042 683 HE21 GLN 94 HE21 GLN 94 16.043 -14.962 -6.307 684 HE22 GLN 94 HE22 GLN 94 15.212 -15.460 -7.736 Start of MODEL 5 1 H1 SER 1 H1 SER 1 -97.102 16.086 -22.962 2 H2 SER 1 H2 SER 1 -97.033 15.859 -24.633 3 H3 SER 1 H3 SER 1 -97.328 17.397 -24.006 4 HA SER 1 HA SER 1 -95.155 17.494 -23.048 5 HB2 SER 1 HB2 SER 1 -94.760 14.745 -24.325 6 HB3 SER 1 HB3 SER 1 -93.503 15.681 -23.508 7 HG SER 1 HG SER 1 -94.731 13.971 -22.281 8 H HIS 2 H HIS 2 -94.186 19.034 -24.267 9 HA HIS 2 HA HIS 2 -94.368 19.018 -27.167 10 HB2 HIS 2 HB2 HIS 2 -93.431 21.225 -27.136 11 HB3 HIS 2 HB3 HIS 2 -94.492 21.160 -25.736 12 HD2 HIS 2 HD2 HIS 2 -93.205 21.408 -23.249 13 HE1 HIS 2 HE1 HIS 2 -89.368 22.114 -24.883 14 HE2 HIS 2 HE2 HIS 2 -90.816 22.328 -22.816 15 H MET 3 H MET 3 -92.405 19.211 -28.539 16 HA MET 3 HA MET 3 -90.122 17.619 -27.485 17 HB2 MET 3 HB2 MET 3 -91.542 16.328 -29.070 18 HB3 MET 3 HB3 MET 3 -91.297 17.552 -30.309 19 HG2 MET 3 HG2 MET 3 -88.876 17.036 -30.307 20 HG3 MET 3 HG3 MET 3 -89.152 15.798 -29.079 21 HE1 MET 3 HE1 MET 3 -87.908 14.031 -30.640 22 HE2 MET 3 HE2 MET 3 -87.664 15.267 -31.878 23 HE3 MET 3 HE3 MET 3 -88.367 13.706 -32.311 24 H SER 4 H SER 4 -88.902 19.429 -26.962 25 HA SER 4 HA SER 4 -88.206 21.438 -28.903 26 HB2 SER 4 HB2 SER 4 -86.458 22.066 -27.146 27 HB3 SER 4 HB3 SER 4 -88.128 22.101 -26.585 28 HG SER 4 HG SER 4 -86.202 20.074 -26.130 29 H GLY 5 H GLY 5 -87.419 20.421 -30.705 30 HA2 GLY 5 HA2 GLY 5 -85.302 18.395 -30.524 31 HA3 GLY 5 HA3 GLY 5 -86.217 18.842 -31.954 32 H GLY 6 H GLY 6 -83.866 20.228 -29.661 33 HA2 GLY 6 HA2 GLY 6 -82.848 22.235 -31.427 34 HA3 GLY 6 HA3 GLY 6 -82.113 21.684 -29.928 35 H SER 7 H SER 7 -82.268 21.178 -33.402 36 HA SER 7 HA SER 7 -80.433 18.963 -33.551 37 HB2 SER 7 HB2 SER 7 -82.166 19.379 -35.295 38 HB3 SER 7 HB3 SER 7 -81.380 20.898 -35.723 39 HG SER 7 HG SER 7 -79.840 18.563 -35.752 40 HA PRO 8 HA PRO 8 -76.987 21.962 -33.267 41 HB2 PRO 8 HB2 PRO 8 -75.272 20.374 -31.836 42 HB3 PRO 8 HB3 PRO 8 -76.672 21.172 -31.102 43 HG2 PRO 8 HG2 PRO 8 -76.253 18.319 -31.613 44 HG3 PRO 8 HG3 PRO 8 -77.444 19.111 -30.566 45 HD2 PRO 8 HD2 PRO 8 -77.797 18.098 -33.292 46 HD3 PRO 8 HD3 PRO 8 -79.029 18.648 -32.138 47 H LEU 9 H LEU 9 -76.680 21.870 -35.641 48 HA LEU 9 HA LEU 9 -74.678 20.005 -36.666 49 HB2 LEU 9 HB2 LEU 9 -75.935 22.461 -37.941 50 HB3 LEU 9 HB3 LEU 9 -74.792 21.405 -38.751 51 HG LEU 9 HG LEU 9 -77.623 20.717 -37.879 52 HD11 LEU 9 HD11 LEU 9 -76.374 20.893 -40.642 53 HD12 LEU 9 HD12 LEU 9 -77.495 22.049 -39.920 54 HD13 LEU 9 HD13 LEU 9 -78.038 20.414 -40.289 55 HD21 LEU 9 HD21 LEU 9 -77.265 18.469 -38.872 56 HD22 LEU 9 HD22 LEU 9 -76.255 18.743 -37.456 57 HD23 LEU 9 HD23 LEU 9 -75.549 18.835 -39.072 58 H ALA 10 H ALA 10 -73.170 20.469 -34.997 59 HA ALA 10 HA ALA 10 -72.022 23.103 -34.698 60 HB1 ALA 10 HB1 ALA 10 -70.580 22.016 -33.008 61 HB2 ALA 10 HB2 ALA 10 -71.227 20.438 -33.466 62 HB3 ALA 10 HB3 ALA 10 -72.284 21.651 -32.737 63 H THR 11 H THR 11 -70.480 23.850 -35.978 64 HA THR 11 HA THR 11 -68.940 22.376 -37.872 65 HB THR 11 HB THR 11 -67.592 24.532 -38.024 66 HG1 THR 11 HG1 THR 11 -67.775 25.248 -35.873 67 HG21 THR 11 HG21 THR 11 -70.605 24.936 -38.078 68 HG22 THR 11 HG22 THR 11 -69.636 24.273 -39.397 69 HG23 THR 11 HG23 THR 11 -69.416 25.951 -38.892 70 H GLY 12 H GLY 12 -66.798 21.601 -37.696 71 HA2 GLY 12 HA2 GLY 12 -65.902 20.852 -35.021 72 HA3 GLY 12 HA3 GLY 12 -65.212 20.355 -36.559 73 H THR 13 H THR 13 -65.667 23.447 -34.839 74 HA THR 13 HA THR 13 -63.284 24.590 -36.004 75 HB THR 13 HB THR 13 -65.135 25.797 -33.879 76 HG1 THR 13 HG1 THR 13 -65.363 25.558 -36.687 77 HG21 THR 13 HG21 THR 13 -64.371 27.964 -34.801 78 HG22 THR 13 HG22 THR 13 -63.282 27.119 -35.904 79 HG23 THR 13 HG23 THR 13 -63.011 27.037 -34.163 80 H THR 14 H THR 14 -61.693 23.199 -35.147 81 HA THR 14 HA THR 14 -60.792 23.858 -32.431 82 HB THR 14 HB THR 14 -60.911 20.979 -33.473 83 HG1 THR 14 HG1 THR 14 -62.611 22.512 -31.906 84 HG21 THR 14 HG21 THR 14 -58.918 21.410 -32.049 85 HG22 THR 14 HG22 THR 14 -60.076 20.369 -31.217 86 HG23 THR 14 HG23 THR 14 -59.964 22.077 -30.795 87 H ALA 15 H ALA 15 -58.940 24.866 -32.837 88 HA ALA 15 HA ALA 15 -56.828 23.509 -34.389 89 HB1 ALA 15 HB1 ALA 15 -57.728 25.326 -35.813 90 HB2 ALA 15 HB2 ALA 15 -56.074 25.673 -35.308 91 HB3 ALA 15 HB3 ALA 15 -57.426 26.495 -34.526 92 H ASN 16 H ASN 16 -56.318 22.738 -32.277 93 HA ASN 16 HA ASN 16 -55.715 24.535 -30.107 94 HB2 ASN 16 HB2 ASN 16 -56.618 22.241 -29.694 95 HB3 ASN 16 HB3 ASN 16 -55.139 21.541 -30.342 96 HD21 ASN 16 HD21 ASN 16 -56.533 23.338 -27.662 97 HD22 ASN 16 HD22 ASN 16 -55.227 23.082 -26.558 98 H THR 17 H THR 17 -54.095 25.904 -30.739 99 HA THR 17 HA THR 17 -51.644 25.066 -31.951 100 HB THR 17 HB THR 17 -52.444 27.359 -32.310 101 HG1 THR 17 HG1 THR 17 -50.053 27.486 -30.769 102 HG21 THR 17 HG21 THR 17 -51.947 27.854 -29.347 103 HG22 THR 17 HG22 THR 17 -53.531 27.796 -30.124 104 HG23 THR 17 HG23 THR 17 -52.389 29.078 -30.536 105 H ARG 18 H ARG 18 -49.765 24.455 -31.000 106 HA ARG 18 HA ARG 18 -49.129 24.880 -28.223 107 HB2 ARG 18 HB2 ARG 18 -49.177 22.645 -27.398 108 HB3 ARG 18 HB3 ARG 18 -50.735 22.870 -28.169 109 HG2 ARG 18 HG2 ARG 18 -48.384 21.373 -29.374 110 HG3 ARG 18 HG3 ARG 18 -49.760 20.630 -28.568 111 HD2 ARG 18 HD2 ARG 18 -51.260 21.329 -30.315 112 HD3 ARG 18 HD3 ARG 18 -50.019 22.340 -31.061 113 HE ARG 18 HE ARG 18 -50.316 19.447 -31.271 114 HH11 ARG 18 HH11 ARG 18 -48.162 22.196 -31.834 115 HH12 ARG 18 HH12 ARG 18 -47.190 21.333 -32.995 116 HH21 ARG 18 HH21 ARG 18 -48.975 18.343 -32.778 117 HH22 ARG 18 HH22 ARG 18 -47.647 19.190 -33.512 118 H GLY 19 H GLY 19 -47.004 24.024 -27.700 119 HA2 GLY 19 HA2 GLY 19 -45.269 23.100 -29.884 120 HA3 GLY 19 HA3 GLY 19 -44.883 24.651 -29.135 121 H ALA 20 H ALA 20 -43.925 21.596 -29.075 122 HA ALA 20 HA ALA 20 -43.177 21.598 -26.216 123 HB1 ALA 20 HB1 ALA 20 -45.187 20.173 -26.399 124 HB2 ALA 20 HB2 ALA 20 -43.761 19.212 -26.004 125 HB3 ALA 20 HB3 ALA 20 -44.401 19.203 -27.649 126 H SER 21 H SER 21 -41.010 21.789 -26.418 127 HA SER 21 HA SER 21 -39.541 19.706 -27.921 128 HB2 SER 21 HB2 SER 21 -38.745 22.656 -27.769 129 HB3 SER 21 HB3 SER 21 -37.792 21.372 -28.523 130 HG SER 21 HG SER 21 -39.821 21.027 -29.816 131 H GLN 22 H GLN 22 -39.878 18.794 -25.726 132 HA GLN 22 HA GLN 22 -38.466 19.810 -23.465 133 HB2 GLN 22 HB2 GLN 22 -39.598 17.026 -24.022 134 HB3 GLN 22 HB3 GLN 22 -38.813 17.466 -22.511 135 HG2 GLN 22 HG2 GLN 22 -41.169 17.576 -22.139 136 HG3 GLN 22 HG3 GLN 22 -40.571 19.227 -22.177 137 HE21 GLN 22 HE21 GLN 22 -42.461 16.827 -23.890 138 HE22 GLN 22 HE22 GLN 22 -43.267 17.934 -24.943 139 H LYS 23 H LYS 23 -36.423 20.301 -24.367 140 HA LYS 23 HA LYS 23 -34.553 18.394 -25.327 141 HB2 LYS 23 HB2 LYS 23 -34.203 20.798 -25.683 142 HB3 LYS 23 HB3 LYS 23 -34.168 21.087 -23.949 143 HG2 LYS 23 HG2 LYS 23 -32.070 19.796 -23.773 144 HG3 LYS 23 HG3 LYS 23 -32.088 19.527 -25.519 145 HD2 LYS 23 HD2 LYS 23 -31.890 21.955 -25.905 146 HD3 LYS 23 HD3 LYS 23 -31.953 22.251 -24.166 147 HE2 LYS 23 HE2 LYS 23 -29.652 22.376 -24.978 148 HE3 LYS 23 HE3 LYS 23 -29.841 21.014 -23.877 149 HZ1 LYS 23 HZ1 LYS 23 -29.943 19.522 -25.748 150 HZ2 LYS 23 HZ2 LYS 23 -28.541 20.454 -25.862 151 HZ3 LYS 23 HZ3 LYS 23 -29.871 20.806 -26.838 152 H LYS 24 H LYS 24 -35.298 19.729 -22.141 153 HA LYS 24 HA LYS 24 -34.985 19.090 -20.010 154 HB2 LYS 24 HB2 LYS 24 -34.466 16.338 -21.215 155 HB3 LYS 24 HB3 LYS 24 -34.771 16.648 -19.509 156 HG2 LYS 24 HG2 LYS 24 -37.047 17.441 -20.037 157 HG3 LYS 24 HG3 LYS 24 -36.733 17.211 -21.758 158 HD2 LYS 24 HD2 LYS 24 -38.075 15.353 -20.844 159 HD3 LYS 24 HD3 LYS 24 -36.506 14.784 -21.420 160 HE2 LYS 24 HE2 LYS 24 -35.675 14.838 -19.062 161 HE3 LYS 24 HE3 LYS 24 -37.301 15.283 -18.534 162 HZ1 LYS 24 HZ1 LYS 24 -38.141 13.207 -19.335 163 HZ2 LYS 24 HZ2 LYS 24 -36.808 12.875 -18.353 164 HZ3 LYS 24 HZ3 LYS 24 -36.657 12.797 -20.034 165 H GLY 25 H GLY 25 -33.181 17.404 -18.705 166 HA2 GLY 25 HA2 GLY 25 -31.005 17.172 -18.019 167 HA3 GLY 25 HA3 GLY 25 -30.484 17.674 -19.623 168 H GLY 26 H GLY 26 -28.837 19.034 -18.883 169 HA2 GLY 26 HA2 GLY 26 -27.918 21.075 -18.362 170 HA3 GLY 26 HA3 GLY 26 -29.540 21.749 -18.436 171 H GLU 27 H GLU 27 -28.737 19.148 -16.260 172 HA GLU 27 HA GLU 27 -29.521 20.727 -13.927 173 HB2 GLU 27 HB2 GLU 27 -28.753 17.781 -14.159 174 HB3 GLU 27 HB3 GLU 27 -29.519 18.543 -12.764 175 HG2 GLU 27 HG2 GLU 27 -31.561 18.873 -13.950 176 HG3 GLU 27 HG3 GLU 27 -30.800 18.491 -15.494 177 HA PRO 28 HA PRO 28 -25.045 21.599 -13.158 178 HB2 PRO 28 HB2 PRO 28 -26.176 22.510 -10.507 179 HB3 PRO 28 HB3 PRO 28 -25.100 23.373 -11.629 180 HG2 PRO 28 HG2 PRO 28 -27.653 24.070 -11.464 181 HG3 PRO 28 HG3 PRO 28 -26.843 24.005 -13.049 182 HD2 PRO 28 HD2 PRO 28 -28.731 22.008 -11.814 183 HD3 PRO 28 HD3 PRO 28 -28.663 22.614 -13.487 184 HA PRO 29 HA PRO 29 -24.709 17.564 -11.062 185 HB2 PRO 29 HB2 PRO 29 -22.033 17.102 -11.503 186 HB3 PRO 29 HB3 PRO 29 -23.253 16.929 -12.778 187 HG2 PRO 29 HG2 PRO 29 -21.399 19.217 -12.250 188 HG3 PRO 29 HG3 PRO 29 -21.836 18.458 -13.796 189 HD2 PRO 29 HD2 PRO 29 -22.971 20.787 -12.952 190 HD3 PRO 29 HD3 PRO 29 -23.845 19.610 -13.957 191 H ALA 30 H ALA 30 -24.857 17.594 -8.881 192 HA ALA 30 HA ALA 30 -23.331 19.315 -7.168 193 HB1 ALA 30 HB1 ALA 30 -24.487 18.155 -5.305 194 HB2 ALA 30 HB2 ALA 30 -25.125 16.966 -6.443 195 HB3 ALA 30 HB3 ALA 30 -25.624 18.651 -6.563 196 H LEU 31 H LEU 31 -21.172 18.871 -7.516 197 HA LEU 31 HA LEU 31 -20.036 16.214 -7.192 198 HB2 LEU 31 HB2 LEU 31 -18.627 18.896 -7.484 199 HB3 LEU 31 HB3 LEU 31 -17.889 17.313 -7.673 200 HG LEU 31 HG LEU 31 -19.980 18.549 -9.508 201 HD11 LEU 31 HD11 LEU 31 -18.185 18.622 -11.186 202 HD12 LEU 31 HD12 LEU 31 -17.037 18.006 -9.993 203 HD13 LEU 31 HD13 LEU 31 -17.792 19.584 -9.758 204 HD21 LEU 31 HD21 LEU 31 -20.338 16.128 -9.399 205 HD22 LEU 31 HD22 LEU 31 -18.637 15.832 -9.764 206 HD23 LEU 31 HD23 LEU 31 -19.681 16.585 -10.973 207 H ILE 32 H ILE 32 -21.354 17.973 -4.947 208 HA ILE 32 HA ILE 32 -19.410 18.212 -2.855 209 HB ILE 32 HB ILE 32 -21.365 18.667 -1.385 210 HG12 ILE 32 HG12 ILE 32 -23.086 18.038 -3.839 211 HG13 ILE 32 HG13 ILE 32 -22.940 17.005 -2.425 212 HG21 ILE 32 HG21 ILE 32 -21.543 20.136 -4.044 213 HG22 ILE 32 HG22 ILE 32 -20.443 20.522 -2.719 214 HG23 ILE 32 HG23 ILE 32 -22.181 20.713 -2.500 215 HD11 ILE 32 HD11 ILE 32 -25.018 18.226 -2.379 216 HD12 ILE 32 HD12 ILE 32 -24.162 19.761 -2.497 217 HD13 ILE 32 HD13 ILE 32 -23.984 18.761 -1.054 218 H VAL 33 H VAL 33 -20.456 15.508 -4.276 219 HA VAL 33 HA VAL 33 -21.200 13.703 -2.255 220 HB VAL 33 HB VAL 33 -20.604 11.922 -3.855 221 HG11 VAL 33 HG11 VAL 33 -22.758 13.048 -4.109 222 HG12 VAL 33 HG12 VAL 33 -22.129 12.563 -5.682 223 HG13 VAL 33 HG13 VAL 33 -22.035 14.254 -5.180 224 HG21 VAL 33 HG21 VAL 33 -19.650 12.457 -6.074 225 HG22 VAL 33 HG22 VAL 33 -18.521 12.822 -4.769 226 HG23 VAL 33 HG23 VAL 33 -19.399 14.130 -5.569 227 H ASP 34 H ASP 34 -18.146 15.129 -2.895 228 HA ASP 34 HA ASP 34 -16.934 13.637 -0.715 229 HB2 ASP 34 HB2 ASP 34 -16.403 12.209 -2.652 230 HB3 ASP 34 HB3 ASP 34 -15.716 13.579 -3.511 231 HA PRO 35 HA PRO 35 -15.149 17.884 -0.644 232 HB2 PRO 35 HB2 PRO 35 -16.440 18.939 1.467 233 HB3 PRO 35 HB3 PRO 35 -17.228 18.828 -0.119 234 HG2 PRO 35 HG2 PRO 35 -17.695 17.203 2.321 235 HG3 PRO 35 HG3 PRO 35 -18.822 17.657 1.028 236 HD2 PRO 35 HD2 PRO 35 -17.402 15.179 1.288 237 HD3 PRO 35 HD3 PRO 35 -18.447 15.690 -0.053 238 H LEU 36 H LEU 36 -14.827 15.067 1.001 239 HA LEU 36 HA LEU 36 -13.134 16.183 3.179 240 HB2 LEU 36 HB2 LEU 36 -15.288 14.926 3.776 241 HB3 LEU 36 HB3 LEU 36 -14.506 13.466 3.221 242 HG LEU 36 HG LEU 36 -13.347 15.157 5.473 243 HD11 LEU 36 HD11 LEU 36 -14.485 13.711 7.101 244 HD12 LEU 36 HD12 LEU 36 -15.330 12.877 5.793 245 HD13 LEU 36 HD13 LEU 36 -15.643 14.586 6.099 246 HD21 LEU 36 HD21 LEU 36 -12.939 12.219 4.798 247 HD22 LEU 36 HD22 LEU 36 -12.251 13.066 6.186 248 HD23 LEU 36 HD23 LEU 36 -11.774 13.523 4.555 249 H MET 37 H MET 37 -13.377 13.861 0.561 250 HA MET 37 HA MET 37 -11.879 12.797 -0.719 251 HB2 MET 37 HB2 MET 37 -10.138 14.461 -0.481 252 HB3 MET 37 HB3 MET 37 -9.721 13.876 1.125 253 HG2 MET 37 HG2 MET 37 -8.927 11.749 0.115 254 HG3 MET 37 HG3 MET 37 -9.291 12.392 -1.485 255 HE1 MET 37 HE1 MET 37 -6.642 11.615 -1.917 256 HE2 MET 37 HE2 MET 37 -6.375 11.275 -0.207 257 HE3 MET 37 HE3 MET 37 -5.289 12.365 -1.070 258 H LYS 38 H LYS 38 -11.237 12.357 2.749 259 HA LYS 38 HA LYS 38 -10.815 10.598 4.070 260 HB2 LYS 38 HB2 LYS 38 -12.290 8.965 1.964 261 HB3 LYS 38 HB3 LYS 38 -11.764 8.324 3.506 262 HG2 LYS 38 HG2 LYS 38 -13.981 8.752 3.971 263 HG3 LYS 38 HG3 LYS 38 -13.245 10.258 4.522 264 HD2 LYS 38 HD2 LYS 38 -15.301 10.679 3.242 265 HD3 LYS 38 HD3 LYS 38 -13.898 11.347 2.398 266 HE2 LYS 38 HE2 LYS 38 -13.895 9.523 0.818 267 HE3 LYS 38 HE3 LYS 38 -15.101 8.630 1.754 268 HZ1 LYS 38 HZ1 LYS 38 -16.728 10.313 1.257 269 HZ2 LYS 38 HZ2 LYS 38 -16.049 9.777 -0.195 270 HZ3 LYS 38 HZ3 LYS 38 -15.583 11.264 0.464 271 H TYR 39 H TYR 39 -9.749 8.272 4.084 272 HA TYR 39 HA TYR 39 -7.249 8.501 2.569 273 HB2 TYR 39 HB2 TYR 39 -8.115 6.785 4.921 274 HB3 TYR 39 HB3 TYR 39 -6.565 6.582 4.113 275 HD1 TYR 39 HD1 TYR 39 -8.599 9.060 6.079 276 HD2 TYR 39 HD2 TYR 39 -4.726 7.968 4.656 277 HE1 TYR 39 HE1 TYR 39 -7.590 10.813 7.482 278 HE2 TYR 39 HE2 TYR 39 -3.718 9.712 6.053 279 HH TYR 39 HH TYR 39 -4.290 11.759 7.169 280 H ILE 40 H ILE 40 -8.677 8.046 0.659 281 HA ILE 40 HA ILE 40 -9.354 5.317 0.047 282 HB ILE 40 HB ILE 40 -9.333 6.329 -2.440 283 HG12 ILE 40 HG12 ILE 40 -9.988 8.770 -2.465 284 HG13 ILE 40 HG13 ILE 40 -9.517 8.896 -0.776 285 HG21 ILE 40 HG21 ILE 40 -11.665 6.983 -2.208 286 HG22 ILE 40 HG22 ILE 40 -11.499 7.053 -0.449 287 HG23 ILE 40 HG23 ILE 40 -11.321 5.512 -1.297 288 HD11 ILE 40 HD11 ILE 40 -7.828 9.816 -2.275 289 HD12 ILE 40 HD12 ILE 40 -7.682 8.264 -3.096 290 HD13 ILE 40 HD13 ILE 40 -7.189 8.417 -1.409 291 H CYS 41 H CYS 41 -8.369 4.078 -1.696 292 HA CYS 41 HA CYS 41 -5.520 4.035 -1.767 293 HB2 CYS 41 HB2 CYS 41 -6.972 2.026 -2.179 294 HB3 CYS 41 HB3 CYS 41 -7.503 2.753 -3.691 295 H HIS 42 H HIS 42 -4.434 5.646 -2.667 296 HA HIS 42 HA HIS 42 -5.718 7.719 -4.135 297 HB2 HIS 42 HB2 HIS 42 -3.713 7.914 -2.501 298 HB3 HIS 42 HB3 HIS 42 -2.696 7.464 -3.862 299 HD1 HIS 42 HD1 HIS 42 -1.857 9.977 -2.901 300 HD2 HIS 42 HD2 HIS 42 -5.211 9.806 -5.345 301 HE1 HIS 42 HE1 HIS 42 -2.147 12.299 -3.799 302 HE2 HIS 42 HE2 HIS 42 -4.122 12.148 -5.362 303 H ILE 43 H ILE 43 -4.334 4.820 -5.282 304 HA ILE 43 HA ILE 43 -3.772 5.830 -8.000 305 HB ILE 43 HB ILE 43 -3.275 3.073 -6.764 306 HG12 ILE 43 HG12 ILE 43 -1.345 5.324 -7.519 307 HG13 ILE 43 HG13 ILE 43 -1.781 4.846 -5.884 308 HG21 ILE 43 HG21 ILE 43 -2.070 2.501 -8.850 309 HG22 ILE 43 HG22 ILE 43 -2.504 4.067 -9.542 310 HG23 ILE 43 HG23 ILE 43 -3.761 2.882 -9.190 311 HD11 ILE 43 HD11 ILE 43 -0.229 3.209 -7.873 312 HD12 ILE 43 HD12 ILE 43 -0.733 2.657 -6.274 313 HD13 ILE 43 HD13 ILE 43 0.392 4.008 -6.429 314 H CYS 44 H CYS 44 -6.172 4.183 -6.141 315 HA CYS 44 HA CYS 44 -7.483 2.880 -8.410 316 HB2 CYS 44 HB2 CYS 44 -8.153 2.899 -5.437 317 HB3 CYS 44 HB3 CYS 44 -9.038 1.992 -6.669 318 H ASN 45 H ASN 45 -8.398 5.210 -5.836 319 HA ASN 45 HA ASN 45 -9.823 6.923 -5.699 320 HB2 ASN 45 HB2 ASN 45 -9.264 7.692 -7.965 321 HB3 ASN 45 HB3 ASN 45 -10.422 6.569 -8.659 322 HD21 ASN 45 HD21 ASN 45 -10.018 9.571 -6.950 323 HD22 ASN 45 HD22 ASN 45 -11.649 10.120 -7.098 324 H ARG 46 H ARG 46 -11.075 4.069 -7.398 325 HA ARG 46 HA ARG 46 -13.757 4.137 -6.833 326 HB2 ARG 46 HB2 ARG 46 -12.786 2.421 -8.248 327 HB3 ARG 46 HB3 ARG 46 -11.827 1.782 -6.925 328 HG2 ARG 46 HG2 ARG 46 -13.781 0.871 -5.848 329 HG3 ARG 46 HG3 ARG 46 -14.861 1.687 -6.982 330 HD2 ARG 46 HD2 ARG 46 -14.059 0.298 -8.815 331 HD3 ARG 46 HD3 ARG 46 -12.834 -0.427 -7.773 332 HE ARG 46 HE ARG 46 -14.725 -1.385 -6.464 333 HH11 ARG 46 HH11 ARG 46 -15.260 -0.544 -9.834 334 HH12 ARG 46 HH12 ARG 46 -16.539 -1.701 -10.036 335 HH21 ARG 46 HH21 ARG 46 -16.376 -2.915 -6.750 336 HH22 ARG 46 HH22 ARG 46 -17.173 -3.043 -8.286 337 H GLY 47 H GLY 47 -11.337 2.433 -4.809 338 HA2 GLY 47 HA2 GLY 47 -11.038 2.526 -2.514 339 HA3 GLY 47 HA3 GLY 47 -12.476 3.520 -2.357 340 H ASP 48 H ASP 48 -12.320 0.368 -4.000 341 HA ASP 48 HA ASP 48 -13.986 -0.863 -1.887 342 HB2 ASP 48 HB2 ASP 48 -14.566 -2.587 -3.454 343 HB3 ASP 48 HB3 ASP 48 -14.649 -1.076 -4.348 344 H VAL 49 H VAL 49 -13.411 -3.241 -1.436 345 HA VAL 49 HA VAL 49 -12.125 -4.632 -0.225 346 HB VAL 49 HB VAL 49 -9.850 -4.014 -2.166 347 HG11 VAL 49 HG11 VAL 49 -9.110 -6.314 -1.687 348 HG12 VAL 49 HG12 VAL 49 -10.452 -6.526 -0.560 349 HG13 VAL 49 HG13 VAL 49 -9.182 -5.354 -0.208 350 HG21 VAL 49 HG21 VAL 49 -12.140 -5.987 -2.516 351 HG22 VAL 49 HG22 VAL 49 -10.728 -5.861 -3.570 352 HG23 VAL 49 HG23 VAL 49 -11.869 -4.520 -3.456 353 H GLU 50 H GLU 50 -12.451 -2.736 1.235 354 HA GLU 50 HA GLU 50 -10.425 -0.928 1.949 355 HB2 GLU 50 HB2 GLU 50 -11.710 -0.440 3.944 356 HB3 GLU 50 HB3 GLU 50 -12.794 -0.606 2.580 357 HG2 GLU 50 HG2 GLU 50 -12.339 -2.748 4.675 358 HG3 GLU 50 HG3 GLU 50 -13.647 -1.575 4.710 359 H GLU 51 H GLU 51 -10.913 -4.251 2.888 360 HA GLU 51 HA GLU 51 -9.296 -4.258 5.243 361 HB2 GLU 51 HB2 GLU 51 -10.127 -6.548 3.420 362 HB3 GLU 51 HB3 GLU 51 -9.407 -6.743 5.017 363 HG2 GLU 51 HG2 GLU 51 -11.356 -5.715 6.066 364 HG3 GLU 51 HG3 GLU 51 -12.050 -5.350 4.492 365 H SER 52 H SER 52 -8.462 -4.298 1.871 366 HA SER 52 HA SER 52 -5.698 -5.221 2.426 367 HB2 SER 52 HB2 SER 52 -7.127 -4.833 -0.241 368 HB3 SER 52 HB3 SER 52 -5.480 -5.444 -0.040 369 HG SER 52 HG SER 52 -7.732 -6.648 1.173 370 H MET 53 H MET 53 -7.151 -2.432 2.800 371 HA MET 53 HA MET 53 -5.404 -0.682 1.246 372 HB2 MET 53 HB2 MET 53 -7.533 -0.084 3.339 373 HB3 MET 53 HB3 MET 53 -6.550 1.162 2.580 374 HG2 MET 53 HG2 MET 53 -7.448 0.532 0.388 375 HG3 MET 53 HG3 MET 53 -8.446 -0.705 1.161 376 HE1 MET 53 HE1 MET 53 -10.678 0.285 0.103 377 HE2 MET 53 HE2 MET 53 -9.703 1.490 -0.744 378 HE3 MET 53 HE3 MET 53 -11.114 1.993 0.188 379 H LEU 54 H LEU 54 -3.355 -0.499 1.878 380 HA LEU 54 HA LEU 54 -2.533 -0.637 4.697 381 HB2 LEU 54 HB2 LEU 54 -0.899 -0.352 2.133 382 HB3 LEU 54 HB3 LEU 54 -0.203 -0.347 3.744 383 HG LEU 54 HG LEU 54 -1.121 -2.694 4.063 384 HD11 LEU 54 HD11 LEU 54 -2.848 -2.698 2.345 385 HD12 LEU 54 HD12 LEU 54 -1.707 -4.016 2.109 386 HD13 LEU 54 HD13 LEU 54 -1.619 -2.583 1.080 387 HD21 LEU 54 HD21 LEU 54 0.903 -2.304 1.844 388 HD22 LEU 54 HD22 LEU 54 0.682 -3.768 2.806 389 HD23 LEU 54 HD23 LEU 54 1.233 -2.284 3.579 390 H LEU 55 H LEU 55 -1.973 1.130 5.850 391 HA LEU 55 HA LEU 55 -2.289 3.785 4.597 392 HB2 LEU 55 HB2 LEU 55 -3.568 2.802 6.805 393 HB3 LEU 55 HB3 LEU 55 -2.167 3.490 7.595 394 HG LEU 55 HG LEU 55 -4.044 5.081 7.632 395 HD11 LEU 55 HD11 LEU 55 -1.797 6.083 7.465 396 HD12 LEU 55 HD12 LEU 55 -3.002 7.081 6.654 397 HD13 LEU 55 HD13 LEU 55 -1.908 6.069 5.705 398 HD21 LEU 55 HD21 LEU 55 -4.010 4.941 4.597 399 HD22 LEU 55 HD22 LEU 55 -5.058 5.964 5.584 400 HD23 LEU 55 HD23 LEU 55 -5.227 4.212 5.644 401 H CYS 56 H CYS 56 -0.398 4.750 4.093 402 HA CYS 56 HA CYS 56 2.134 3.926 5.091 403 HB2 CYS 56 HB2 CYS 56 1.943 5.014 2.898 404 HB3 CYS 56 HB3 CYS 56 1.348 6.492 3.654 405 H ASP 57 H ASP 57 2.830 4.272 7.037 406 HA ASP 57 HA ASP 57 1.773 5.924 9.017 407 HB2 ASP 57 HB2 ASP 57 3.060 3.922 9.525 408 HB3 ASP 57 HB3 ASP 57 4.498 4.590 8.767 409 H GLY 58 H GLY 58 4.110 6.636 6.550 410 HA2 GLY 58 HA2 GLY 58 4.473 9.404 7.556 411 HA3 GLY 58 HA3 GLY 58 5.657 8.542 6.597 412 H CYS 59 H CYS 59 2.153 8.730 6.083 413 HA CYS 59 HA CYS 59 2.327 10.878 4.098 414 HB2 CYS 59 HB2 CYS 59 1.336 8.117 3.249 415 HB3 CYS 59 HB3 CYS 59 1.142 9.595 2.315 416 H ASP 60 H ASP 60 -0.016 10.949 3.042 417 HA ASP 60 HA ASP 60 -2.073 10.733 5.156 418 HB2 ASP 60 HB2 ASP 60 -1.325 13.062 4.486 419 HB3 ASP 60 HB3 ASP 60 -1.867 12.729 2.850 420 H ASP 61 H ASP 61 -1.099 8.806 3.100 421 HA ASP 61 HA ASP 61 -3.379 8.616 1.225 422 HB2 ASP 61 HB2 ASP 61 -0.468 7.876 0.692 423 HB3 ASP 61 HB3 ASP 61 -1.793 7.780 -0.464 424 H SER 62 H SER 62 -4.126 6.606 0.751 425 HA SER 62 HA SER 62 -2.999 4.268 2.169 426 HB2 SER 62 HB2 SER 62 -5.340 4.817 2.871 427 HB3 SER 62 HB3 SER 62 -5.870 4.660 1.196 428 HG SER 62 HG SER 62 -4.595 2.596 2.674 429 H TYR 63 H TYR 63 -2.611 2.442 0.916 430 HA TYR 63 HA TYR 63 -3.256 2.437 -1.962 431 HB2 TYR 63 HB2 TYR 63 -0.481 1.849 -0.822 432 HB3 TYR 63 HB3 TYR 63 -0.952 1.637 -2.507 433 HD1 TYR 63 HD2 TYR 63 -1.650 3.737 -3.828 434 HD2 TYR 63 HD1 TYR 63 0.378 3.937 -0.078 435 HE1 TYR 63 HE2 TYR 63 -1.014 6.063 -4.290 436 HE2 TYR 63 HE1 TYR 63 1.020 6.261 -0.550 437 HH TYR 63 HH TYR 63 1.304 7.752 -2.426 438 H HIS 64 H HIS 64 -3.743 0.399 -2.687 439 HA HIS 64 HA HIS 64 -4.032 -1.764 -0.787 440 HB2 HIS 64 HB2 HIS 64 -4.441 -1.689 -3.800 441 HB3 HIS 64 HB3 HIS 64 -4.773 -3.098 -2.804 442 HD2 HIS 64 HD2 HIS 64 -6.752 -2.484 -0.701 443 HE1 HIS 64 HE1 HIS 64 -8.780 0.042 -3.386 444 HE2 HIS 64 HE2 HIS 64 -9.020 -1.445 -1.370 445 H THR 65 H THR 65 -3.083 -3.849 -1.070 446 HA THR 65 HA THR 65 -0.348 -4.121 -1.321 447 HB THR 65 HB THR 65 -0.902 -6.604 -1.715 448 HG1 THR 65 HG1 THR 65 -2.887 -7.120 -2.241 449 HG21 THR 65 HG21 THR 65 -2.380 -5.267 0.580 450 HG22 THR 65 HG22 THR 65 -0.677 -5.724 0.590 451 HG23 THR 65 HG23 THR 65 -1.919 -6.972 0.497 452 H PHE 66 H PHE 66 -2.829 -4.728 -3.776 453 HA PHE 66 HA PHE 66 -0.989 -5.567 -5.831 454 HB2 PHE 66 HB2 PHE 66 -3.132 -5.738 -7.222 455 HB3 PHE 66 HB3 PHE 66 -3.039 -6.759 -5.796 456 HD1 PHE 66 HD2 PHE 66 -4.755 -3.824 -7.291 457 HD2 PHE 66 HD1 PHE 66 -4.543 -6.407 -3.889 458 HE1 PHE 66 HE2 PHE 66 -6.925 -2.964 -6.493 459 HE2 PHE 66 HE1 PHE 66 -6.708 -5.544 -3.102 460 HZ PHE 66 HZ PHE 66 -7.898 -3.819 -4.395 461 H CYS 67 H CYS 67 -2.379 -2.512 -4.921 462 HA CYS 67 HA CYS 67 -2.407 -1.247 -7.494 463 HB2 CYS 67 HB2 CYS 67 -2.413 -0.058 -4.695 464 HB3 CYS 67 HB3 CYS 67 -2.664 0.877 -6.177 465 H LEU 68 H LEU 68 0.152 -2.080 -5.453 466 HA LEU 68 HA LEU 68 1.993 -0.002 -6.521 467 HB2 LEU 68 HB2 LEU 68 2.130 -1.627 -3.958 468 HB3 LEU 68 HB3 LEU 68 3.379 -0.508 -4.493 469 HG LEU 68 HG LEU 68 0.520 0.280 -3.809 470 HD11 LEU 68 HD11 LEU 68 1.716 -0.489 -1.843 471 HD12 LEU 68 HD12 LEU 68 1.471 1.252 -1.778 472 HD13 LEU 68 HD13 LEU 68 3.059 0.602 -2.196 473 HD21 LEU 68 HD21 LEU 68 1.511 1.785 -5.465 474 HD22 LEU 68 HD22 LEU 68 2.928 2.021 -4.441 475 HD23 LEU 68 HD23 LEU 68 1.348 2.596 -3.906 476 H LEU 69 H LEU 69 4.229 -0.717 -6.942 477 HA LEU 69 HA LEU 69 4.504 -3.621 -7.400 478 HB2 LEU 69 HB2 LEU 69 5.910 -3.166 -9.359 479 HB3 LEU 69 HB3 LEU 69 4.294 -2.535 -9.538 480 HG LEU 69 HG LEU 69 5.410 -0.236 -8.813 481 HD11 LEU 69 HD11 LEU 69 7.827 -1.667 -9.958 482 HD12 LEU 69 HD12 LEU 69 7.650 -1.086 -8.302 483 HD13 LEU 69 HD13 LEU 69 7.698 0.064 -9.634 484 HD21 LEU 69 HD21 LEU 69 5.774 0.303 -11.183 485 HD22 LEU 69 HD22 LEU 69 4.298 -0.628 -10.941 486 HD23 LEU 69 HD23 LEU 69 5.741 -1.420 -11.579 487 HA PRO 70 HA PRO 70 5.925 -5.234 -7.431 488 HB2 PRO 70 HB2 PRO 70 6.954 -6.985 -5.587 489 HB3 PRO 70 HB3 PRO 70 7.948 -6.252 -6.859 490 HG2 PRO 70 HG2 PRO 70 7.721 -5.477 -3.977 491 HG3 PRO 70 HG3 PRO 70 9.170 -5.609 -5.000 492 HD2 PRO 70 HD2 PRO 70 7.941 -3.218 -4.450 493 HD3 PRO 70 HD3 PRO 70 8.865 -3.518 -5.938 494 HA PRO 71 HA PRO 71 2.091 -5.198 -5.048 495 HB2 PRO 71 HB2 PRO 71 0.946 -7.517 -6.095 496 HB3 PRO 71 HB3 PRO 71 0.943 -5.948 -6.918 497 HG2 PRO 71 HG2 PRO 71 2.783 -8.276 -7.322 498 HG3 PRO 71 HG3 PRO 71 2.005 -7.226 -8.530 499 HD2 PRO 71 HD2 PRO 71 4.579 -6.869 -7.862 500 HD3 PRO 71 HD3 PRO 71 3.518 -5.483 -8.200 501 H LEU 72 H LEU 72 1.489 -5.992 -3.063 502 HA LEU 72 HA LEU 72 3.294 -7.939 -1.830 503 HB2 LEU 72 HB2 LEU 72 1.206 -6.103 -0.586 504 HB3 LEU 72 HB3 LEU 72 2.413 -7.026 0.295 505 HG LEU 72 HG LEU 72 3.005 -4.740 -1.630 506 HD11 LEU 72 HD11 LEU 72 1.934 -3.920 0.409 507 HD12 LEU 72 HD12 LEU 72 3.621 -3.420 0.340 508 HD13 LEU 72 HD13 LEU 72 3.138 -4.746 1.400 509 HD21 LEU 72 HD21 LEU 72 4.922 -6.308 0.131 510 HD22 LEU 72 HD22 LEU 72 5.333 -4.876 -0.818 511 HD23 LEU 72 HD23 LEU 72 4.834 -6.356 -1.631 512 H THR 73 H THR 73 2.659 -9.923 -1.127 513 HA THR 73 HA THR 73 0.113 -11.032 -1.872 514 HB THR 73 HB THR 73 1.035 -13.115 -0.736 515 HG1 THR 73 HG1 THR 73 2.945 -13.026 0.283 516 HG21 THR 73 HG21 THR 73 2.816 -13.534 -2.404 517 HG22 THR 73 HG22 THR 73 2.880 -11.814 -2.789 518 HG23 THR 73 HG23 THR 73 1.429 -12.747 -3.158 519 H SER 74 H SER 74 1.197 -9.369 0.857 520 HA SER 74 HA SER 74 -1.197 -9.808 2.393 521 HB2 SER 74 HB2 SER 74 1.490 -10.711 3.552 522 HB3 SER 74 HB3 SER 74 -0.004 -10.566 4.479 523 HG SER 74 HG SER 74 -0.729 -12.079 2.564 524 H ILE 75 H ILE 75 -1.032 -8.451 4.488 525 HA ILE 75 HA ILE 75 0.236 -5.867 3.949 526 HB ILE 75 HB ILE 75 -1.499 -6.752 6.314 527 HG12 ILE 75 HG12 ILE 75 -2.255 -5.009 3.917 528 HG13 ILE 75 HG13 ILE 75 -2.716 -6.691 4.122 529 HG21 ILE 75 HG21 ILE 75 -0.525 -3.958 5.591 530 HG22 ILE 75 HG22 ILE 75 0.023 -4.927 6.959 531 HG23 ILE 75 HG23 ILE 75 -1.641 -4.343 6.904 532 HD11 ILE 75 HD11 ILE 75 -3.562 -4.412 5.890 533 HD12 ILE 75 HD12 ILE 75 -4.022 -6.105 6.084 534 HD13 ILE 75 HD13 ILE 75 -4.535 -5.211 4.655 535 HA PRO 76 HA PRO 76 3.773 -7.679 6.221 536 HB2 PRO 76 HB2 PRO 76 5.577 -5.662 5.730 537 HB3 PRO 76 HB3 PRO 76 5.117 -6.851 4.496 538 HG2 PRO 76 HG2 PRO 76 4.126 -4.052 4.872 539 HG3 PRO 76 HG3 PRO 76 4.596 -4.890 3.373 540 HD2 PRO 76 HD2 PRO 76 1.998 -4.604 4.137 541 HD3 PRO 76 HD3 PRO 76 2.568 -6.001 3.198 542 H LYS 77 H LYS 77 2.956 -7.620 8.280 543 HA LYS 77 HA LYS 77 3.075 -7.173 10.483 544 HB2 LYS 77 HB2 LYS 77 5.355 -6.337 10.104 545 HB3 LYS 77 HB3 LYS 77 4.724 -4.749 9.699 546 HG2 LYS 77 HG2 LYS 77 3.829 -4.606 12.071 547 HG3 LYS 77 HG3 LYS 77 4.703 -6.100 12.415 548 HD2 LYS 77 HD2 LYS 77 5.921 -3.460 11.516 549 HD3 LYS 77 HD3 LYS 77 6.045 -4.183 13.123 550 HE2 LYS 77 HE2 LYS 77 7.323 -6.062 12.213 551 HE3 LYS 77 HE3 LYS 77 7.148 -5.421 10.577 552 HZ1 LYS 77 HZ1 LYS 77 8.416 -3.485 11.231 553 HZ2 LYS 77 HZ2 LYS 77 9.309 -4.885 11.532 554 HZ3 LYS 77 HZ3 LYS 77 8.561 -4.064 12.806 555 H GLY 78 H GLY 78 2.834 -3.878 9.098 556 HA2 GLY 78 HA2 GLY 78 0.258 -3.170 9.255 557 HA3 GLY 78 HA3 GLY 78 0.705 -3.144 10.965 558 H GLU 79 H GLU 79 3.247 -2.214 10.938 559 HA GLU 79 HA GLU 79 3.074 0.582 10.263 560 HB2 GLU 79 HB2 GLU 79 5.435 -1.092 11.238 561 HB3 GLU 79 HB3 GLU 79 5.462 0.661 11.062 562 HG2 GLU 79 HG2 GLU 79 3.702 0.859 12.771 563 HG3 GLU 79 HG3 GLU 79 3.678 -0.895 12.941 564 H TRP 80 H TRP 80 2.697 0.403 7.950 565 HA TRP 80 HA TRP 80 5.001 -0.494 6.338 566 HB2 TRP 80 HB2 TRP 80 2.946 -1.654 5.717 567 HB3 TRP 80 HB3 TRP 80 2.051 -0.137 5.634 568 HD1 TRP 80 HD1 TRP 80 4.823 -2.056 3.696 569 HE1 TRP 80 HE1 TRP 80 4.857 -1.151 1.288 570 HE3 TRP 80 HE3 TRP 80 1.420 1.717 4.210 571 HZ2 TRP 80 HZ2 TRP 80 3.602 0.891 -0.186 572 HZ3 TRP 80 HZ3 TRP 80 0.884 3.113 2.243 573 HH2 TRP 80 HH2 TRP 80 1.959 2.702 0.088 574 H LEU 81 H LEU 81 6.056 0.978 5.102 575 HA LEU 81 HA LEU 81 5.138 3.796 5.025 576 HB2 LEU 81 HB2 LEU 81 7.941 2.610 4.848 577 HB3 LEU 81 HB3 LEU 81 7.580 4.301 4.565 578 HG LEU 81 HG LEU 81 7.235 2.835 7.207 579 HD11 LEU 81 HD11 LEU 81 9.601 3.232 6.639 580 HD12 LEU 81 HD12 LEU 81 9.105 4.229 8.003 581 HD13 LEU 81 HD13 LEU 81 9.272 4.951 6.401 582 HD21 LEU 81 HD21 LEU 81 6.741 5.763 6.550 583 HD22 LEU 81 HD22 LEU 81 6.697 5.045 8.165 584 HD23 LEU 81 HD23 LEU 81 5.513 4.559 6.954 585 H CYS 82 H CYS 82 5.060 4.825 3.034 586 HA CYS 82 HA CYS 82 4.736 3.322 0.655 587 HB2 CYS 82 HB2 CYS 82 4.524 5.534 -0.440 588 HB3 CYS 82 HB3 CYS 82 3.596 5.486 1.052 589 HA PRO 83 HA PRO 83 8.909 3.010 -1.079 590 HB2 PRO 83 HB2 PRO 83 8.509 4.053 -3.675 591 HB3 PRO 83 HB3 PRO 83 8.237 2.372 -3.179 592 HG2 PRO 83 HG2 PRO 83 6.245 4.598 -3.432 593 HG3 PRO 83 HG3 PRO 83 6.094 2.886 -3.892 594 HD2 PRO 83 HD2 PRO 83 4.948 3.765 -1.653 595 HD3 PRO 83 HD3 PRO 83 5.758 2.179 -1.678 596 H ARG 84 H ARG 84 7.214 6.066 -1.268 597 HA ARG 84 HA ARG 84 9.446 7.770 -1.843 598 HB2 ARG 84 HB2 ARG 84 6.747 8.444 -0.575 599 HB3 ARG 84 HB3 ARG 84 7.873 9.608 -1.271 600 HG2 ARG 84 HG2 ARG 84 7.545 8.600 -3.500 601 HG3 ARG 84 HG3 ARG 84 6.463 7.399 -2.800 602 HD2 ARG 84 HD2 ARG 84 4.898 9.220 -2.154 603 HD3 ARG 84 HD3 ARG 84 5.963 10.398 -2.935 604 HE ARG 84 HE ARG 84 4.493 8.219 -4.303 605 HH11 ARG 84 HH11 ARG 84 6.074 11.364 -4.488 606 HH12 ARG 84 HH12 ARG 84 5.583 11.638 -6.131 607 HH21 ARG 84 HH21 ARG 84 3.903 8.576 -6.437 608 HH22 ARG 84 HH22 ARG 84 4.351 10.054 -7.226 609 H CYS 85 H CYS 85 7.766 6.734 1.138 610 HA CYS 85 HA CYS 85 9.309 8.248 2.985 611 HB2 CYS 85 HB2 CYS 85 7.717 5.699 3.432 612 HB3 CYS 85 HB3 CYS 85 8.464 6.635 4.723 613 H VAL 86 H VAL 86 9.790 5.123 1.501 614 HA VAL 86 HA VAL 86 11.990 4.221 3.039 615 HB VAL 86 HB VAL 86 11.334 3.569 0.127 616 HG11 VAL 86 HG11 VAL 86 12.607 1.466 0.457 617 HG12 VAL 86 HG12 VAL 86 13.075 1.999 2.073 618 HG13 VAL 86 HG13 VAL 86 13.637 2.889 0.660 619 HG21 VAL 86 HG21 VAL 86 9.428 3.088 1.593 620 HG22 VAL 86 HG22 VAL 86 10.455 2.120 2.654 621 HG23 VAL 86 HG23 VAL 86 10.144 1.590 1.000 622 H VAL 87 H VAL 87 11.786 6.328 0.168 623 HA VAL 87 HA VAL 87 14.639 6.446 -0.284 624 HB VAL 87 HB VAL 87 12.390 8.138 -1.484 625 HG11 VAL 87 HG11 VAL 87 13.974 8.753 -3.282 626 HG12 VAL 87 HG12 VAL 87 15.268 7.888 -2.453 627 HG13 VAL 87 HG13 VAL 87 14.551 9.319 -1.711 628 HG21 VAL 87 HG21 VAL 87 13.821 5.701 -2.621 629 HG22 VAL 87 HG22 VAL 87 12.576 6.643 -3.446 630 HG23 VAL 87 HG23 VAL 87 12.172 5.732 -1.993 631 H GLU 88 H GLU 88 12.485 8.100 1.858 632 HA GLU 88 HA GLU 88 13.404 10.687 2.086 633 HB2 GLU 88 HB2 GLU 88 12.462 8.809 4.286 634 HB3 GLU 88 HB3 GLU 88 12.824 10.504 4.590 635 HG2 GLU 88 HG2 GLU 88 10.691 9.433 2.731 636 HG3 GLU 88 HG3 GLU 88 10.432 10.163 4.315 637 H GLU 89 H GLU 89 15.166 11.688 2.741 638 HA GLU 89 HA GLU 89 17.585 10.319 3.356 639 HB2 GLU 89 HB2 GLU 89 17.246 12.587 2.123 640 HB3 GLU 89 HB3 GLU 89 17.092 13.311 3.714 641 HG2 GLU 89 HG2 GLU 89 19.528 11.770 2.778 642 HG3 GLU 89 HG3 GLU 89 19.365 13.513 2.641 643 H VAL 90 H VAL 90 15.619 12.631 5.243 644 HA VAL 90 HA VAL 90 16.677 11.561 7.770 645 HB VAL 90 HB VAL 90 14.815 13.945 7.330 646 HG11 VAL 90 HG11 VAL 90 16.349 13.102 9.817 647 HG12 VAL 90 HG12 VAL 90 14.604 12.988 9.575 648 HG13 VAL 90 HG13 VAL 90 15.379 14.570 9.643 649 HG21 VAL 90 HG21 VAL 90 16.977 14.363 6.262 650 HG22 VAL 90 HG22 VAL 90 17.828 13.951 7.753 651 HG23 VAL 90 HG23 VAL 90 16.791 15.380 7.692 652 H SER 91 H SER 91 15.670 9.684 8.188 653 HA SER 91 HA SER 91 12.835 9.227 7.881 654 HB2 SER 91 HB2 SER 91 14.880 7.570 9.431 655 HB3 SER 91 HB3 SER 91 13.298 7.035 8.862 656 HG SER 91 HG SER 91 14.189 7.573 6.679 657 H LYS 92 H LYS 92 15.087 9.772 10.576 658 HA LYS 92 HA LYS 92 12.924 10.835 12.264 659 HB2 LYS 92 HB2 LYS 92 14.853 8.613 13.073 660 HB3 LYS 92 HB3 LYS 92 13.982 9.588 14.255 661 HG2 LYS 92 HG2 LYS 92 11.847 8.792 13.425 662 HG3 LYS 92 HG3 LYS 92 12.637 7.922 12.109 663 HD2 LYS 92 HD2 LYS 92 13.021 7.317 15.065 664 HD3 LYS 92 HD3 LYS 92 11.940 6.437 13.985 665 HE2 LYS 92 HE2 LYS 92 13.975 5.892 12.562 666 HE3 LYS 92 HE3 LYS 92 14.967 6.561 13.861 667 HZ1 LYS 92 HZ1 LYS 92 13.900 4.914 15.365 668 HZ2 LYS 92 HZ2 LYS 92 14.823 4.205 14.141 669 HZ3 LYS 92 HZ3 LYS 92 13.139 4.228 14.029 670 HA PRO 93 HA PRO 93 16.185 14.080 12.315 671 HB2 PRO 93 HB2 PRO 93 14.273 15.207 14.370 672 HB3 PRO 93 HB3 PRO 93 14.994 15.996 12.949 673 HG2 PRO 93 HG2 PRO 93 12.454 15.258 12.885 674 HG3 PRO 93 HG3 PRO 93 13.489 15.007 11.458 675 HD2 PRO 93 HD2 PRO 93 12.595 12.998 13.517 676 HD3 PRO 93 HD3 PRO 93 12.702 12.832 11.749 677 H GLN 94 H GLN 94 18.020 13.798 13.417 678 HA GLN 94 HA GLN 94 18.003 13.175 16.321 679 HB2 GLN 94 HB2 GLN 94 20.146 12.593 14.220 680 HB3 GLN 94 HB3 GLN 94 20.271 12.202 15.932 681 HG2 GLN 94 HG2 GLN 94 18.430 10.604 15.738 682 HG3 GLN 94 HG3 GLN 94 18.189 11.055 14.050 683 HE21 GLN 94 HE21 GLN 94 19.723 10.406 12.497 684 HE22 GLN 94 HE22 GLN 94 20.827 9.109 12.795 Start of MODEL 6 1 H1 SER 1 H1 SER 1 -13.829 71.379 38.394 2 H2 SER 1 H2 SER 1 -12.888 71.487 39.791 3 H3 SER 1 H3 SER 1 -13.605 70.020 39.373 4 HA SER 1 HA SER 1 -11.527 71.417 37.810 5 HB2 SER 1 HB2 SER 1 -10.042 69.523 38.578 6 HB3 SER 1 HB3 SER 1 -10.585 70.550 39.905 7 HG SER 1 HG SER 1 -10.899 68.473 40.573 8 H HIS 2 H HIS 2 -11.135 70.584 35.796 9 HA HIS 2 HA HIS 2 -12.285 67.976 35.031 10 HB2 HIS 2 HB2 HIS 2 -13.859 69.780 34.279 11 HB3 HIS 2 HB3 HIS 2 -12.554 70.527 33.368 12 HD2 HIS 2 HD2 HIS 2 -14.698 67.219 33.261 13 HE1 HIS 2 HE1 HIS 2 -13.101 68.009 29.427 14 HE2 HIS 2 HE2 HIS 2 -14.817 66.679 30.729 15 H MET 3 H MET 3 -10.334 66.979 34.952 16 HA MET 3 HA MET 3 -8.269 67.992 33.068 17 HB2 MET 3 HB2 MET 3 -7.906 66.417 35.658 18 HB3 MET 3 HB3 MET 3 -6.618 66.639 34.478 19 HG2 MET 3 HG2 MET 3 -6.316 68.215 36.269 20 HG3 MET 3 HG3 MET 3 -6.795 69.107 34.822 21 HE1 MET 3 HE1 MET 3 -6.919 70.546 37.595 22 HE2 MET 3 HE2 MET 3 -8.522 71.277 37.544 23 HE3 MET 3 HE3 MET 3 -7.512 71.277 36.100 24 H SER 4 H SER 4 -10.466 66.560 32.229 25 HA SER 4 HA SER 4 -10.007 63.735 32.012 26 HB2 SER 4 HB2 SER 4 -12.266 64.729 31.971 27 HB3 SER 4 HB3 SER 4 -11.891 65.568 30.465 28 HG SER 4 HG SER 4 -13.066 63.448 30.381 29 H GLY 5 H GLY 5 -8.943 66.511 30.224 30 HA2 GLY 5 HA2 GLY 5 -8.186 65.048 27.805 31 HA3 GLY 5 HA3 GLY 5 -7.972 66.765 28.117 32 H GLY 6 H GLY 6 -6.914 63.798 29.802 33 HA2 GLY 6 HA2 GLY 6 -4.348 64.858 30.532 34 HA3 GLY 6 HA3 GLY 6 -4.902 63.206 30.754 35 H SER 7 H SER 7 -5.519 62.986 27.820 36 HA SER 7 HA SER 7 -3.019 63.467 26.402 37 HB2 SER 7 HB2 SER 7 -4.167 60.641 26.639 38 HB3 SER 7 HB3 SER 7 -2.848 61.113 25.568 39 HG SER 7 HG SER 7 -2.877 61.201 28.399 40 HA PRO 8 HA PRO 8 -6.809 64.247 23.832 41 HB2 PRO 8 HB2 PRO 8 -5.743 66.371 22.417 42 HB3 PRO 8 HB3 PRO 8 -6.516 66.548 24.005 43 HG2 PRO 8 HG2 PRO 8 -3.605 66.410 23.328 44 HG3 PRO 8 HG3 PRO 8 -4.443 67.466 24.489 45 HD2 PRO 8 HD2 PRO 8 -3.074 65.237 25.265 46 HD3 PRO 8 HD3 PRO 8 -4.508 65.829 26.133 47 H LEU 9 H LEU 9 -6.970 62.661 22.342 48 HA LEU 9 HA LEU 9 -4.912 61.846 20.524 49 HB2 LEU 9 HB2 LEU 9 -7.907 61.285 20.552 50 HB3 LEU 9 HB3 LEU 9 -6.823 60.626 19.340 51 HG LEU 9 HG LEU 9 -5.554 59.485 21.246 52 HD11 LEU 9 HD11 LEU 9 -7.991 60.225 22.881 53 HD12 LEU 9 HD12 LEU 9 -6.340 60.798 23.130 54 HD13 LEU 9 HD13 LEU 9 -6.723 59.094 23.363 55 HD21 LEU 9 HD21 LEU 9 -7.130 57.600 21.400 56 HD22 LEU 9 HD22 LEU 9 -7.033 58.234 19.759 57 HD23 LEU 9 HD23 LEU 9 -8.427 58.623 20.770 58 H ALA 10 H ALA 10 -4.507 62.523 18.506 59 HA ALA 10 HA ALA 10 -5.346 65.071 17.593 60 HB1 ALA 10 HB1 ALA 10 -3.847 62.880 16.106 61 HB2 ALA 10 HB2 ALA 10 -3.113 64.134 17.108 62 HB3 ALA 10 HB3 ALA 10 -3.953 64.575 15.623 63 H THR 11 H THR 11 -7.243 65.520 16.697 64 HA THR 11 HA THR 11 -9.172 63.614 15.891 65 HB THR 11 HB THR 11 -10.511 65.636 15.147 66 HG1 THR 11 HG1 THR 11 -8.878 67.040 14.503 67 HG21 THR 11 HG21 THR 11 -10.659 64.879 17.484 68 HG22 THR 11 HG22 THR 11 -10.742 66.640 17.408 69 HG23 THR 11 HG23 THR 11 -9.245 65.847 17.908 70 H GLY 12 H GLY 12 -8.417 62.335 14.245 71 HA2 GLY 12 HA2 GLY 12 -8.569 61.757 11.987 72 HA3 GLY 12 HA3 GLY 12 -8.434 63.449 11.532 73 H THR 13 H THR 13 -6.101 63.900 13.267 74 HA THR 13 HA THR 13 -3.860 64.003 13.200 75 HB THR 13 HB THR 13 -3.985 61.232 11.933 76 HG1 THR 13 HG1 THR 13 -4.899 61.427 14.059 77 HG21 THR 13 HG21 THR 13 -1.766 62.230 11.518 78 HG22 THR 13 HG22 THR 13 -1.651 60.943 12.721 79 HG23 THR 13 HG23 THR 13 -1.612 62.631 13.231 80 H THR 14 H THR 14 -4.342 62.226 10.163 81 HA THR 14 HA THR 14 -4.192 64.535 8.474 82 HB THR 14 HB THR 14 -1.784 64.298 8.929 83 HG1 THR 14 HG1 THR 14 -2.037 64.998 6.917 84 HG21 THR 14 HG21 THR 14 -1.688 61.886 9.505 85 HG22 THR 14 HG22 THR 14 -0.492 62.309 8.280 86 HG23 THR 14 HG23 THR 14 -1.972 61.470 7.811 87 H ALA 15 H ALA 15 -4.946 64.052 6.399 88 HA ALA 15 HA ALA 15 -6.563 61.642 6.253 89 HB1 ALA 15 HB1 ALA 15 -7.496 63.849 5.641 90 HB2 ALA 15 HB2 ALA 15 -7.599 62.705 4.305 91 HB3 ALA 15 HB3 ALA 15 -6.360 63.960 4.294 92 H ASN 16 H ASN 16 -4.944 60.023 6.046 93 HA ASN 16 HA ASN 16 -3.123 59.983 3.760 94 HB2 ASN 16 HB2 ASN 16 -2.388 59.130 5.990 95 HB3 ASN 16 HB3 ASN 16 -3.619 57.869 5.923 96 HD21 ASN 16 HD21 ASN 16 -3.343 56.164 4.335 97 HD22 ASN 16 HD22 ASN 16 -1.781 55.810 3.685 98 H THR 17 H THR 17 -3.343 58.675 1.957 99 HA THR 17 HA THR 17 -5.712 56.915 1.692 100 HB THR 17 HB THR 17 -5.853 57.740 -0.735 101 HG1 THR 17 HG1 THR 17 -4.957 60.019 -0.858 102 HG21 THR 17 HG21 THR 17 -7.493 58.517 0.925 103 HG22 THR 17 HG22 THR 17 -7.098 59.793 -0.227 104 HG23 THR 17 HG23 THR 17 -6.408 59.829 1.397 105 H ARG 18 H ARG 18 -5.510 55.322 0.027 106 HA ARG 18 HA ARG 18 -2.826 54.867 -1.156 107 HB2 ARG 18 HB2 ARG 18 -3.263 53.108 0.552 108 HB3 ARG 18 HB3 ARG 18 -4.821 52.747 -0.179 109 HG2 ARG 18 HG2 ARG 18 -3.291 51.019 -0.840 110 HG3 ARG 18 HG3 ARG 18 -3.590 52.019 -2.261 111 HD2 ARG 18 HD2 ARG 18 -1.435 53.216 -1.807 112 HD3 ARG 18 HD3 ARG 18 -1.137 52.094 -0.473 113 HE ARG 18 HE ARG 18 -1.619 50.914 -3.097 114 HH11 ARG 18 HH11 ARG 18 0.814 51.831 -0.705 115 HH12 ARG 18 HH12 ARG 18 2.043 50.839 -1.421 116 HH21 ARG 18 HH21 ARG 18 0.040 49.686 -4.052 117 HH22 ARG 18 HH22 ARG 18 1.603 49.636 -3.301 118 H GLY 19 H GLY 19 -3.033 55.315 -3.270 119 HA2 GLY 19 HA2 GLY 19 -5.518 55.535 -4.653 120 HA3 GLY 19 HA3 GLY 19 -3.916 55.609 -5.366 121 H ALA 20 H ALA 20 -6.490 53.435 -4.334 122 HA ALA 20 HA ALA 20 -5.826 51.477 -6.382 123 HB1 ALA 20 HB1 ALA 20 -4.366 50.752 -4.520 124 HB2 ALA 20 HB2 ALA 20 -5.635 49.566 -4.830 125 HB3 ALA 20 HB3 ALA 20 -5.767 50.658 -3.449 126 H SER 21 H SER 21 -7.887 52.600 -6.932 127 HA SER 21 HA SER 21 -10.313 51.683 -5.600 128 HB2 SER 21 HB2 SER 21 -9.955 53.137 -8.263 129 HB3 SER 21 HB3 SER 21 -11.492 52.885 -7.422 130 HG SER 21 HG SER 21 -9.260 54.291 -6.375 131 H GLN 22 H GLN 22 -8.245 50.805 -8.255 132 HA GLN 22 HA GLN 22 -7.991 49.025 -9.570 133 HB2 GLN 22 HB2 GLN 22 -9.962 47.556 -7.770 134 HB3 GLN 22 HB3 GLN 22 -8.800 46.827 -8.873 135 HG2 GLN 22 HG2 GLN 22 -6.961 47.856 -7.461 136 HG3 GLN 22 HG3 GLN 22 -8.209 48.323 -6.307 137 HE21 GLN 22 HE21 GLN 22 -7.545 47.011 -4.615 138 HE22 GLN 22 HE22 GLN 22 -7.554 45.285 -4.684 139 H LYS 23 H LYS 23 -9.339 47.240 -10.834 140 HA LYS 23 HA LYS 23 -11.885 48.366 -11.816 141 HB2 LYS 23 HB2 LYS 23 -9.666 48.752 -13.292 142 HB3 LYS 23 HB3 LYS 23 -9.987 47.111 -13.816 143 HG2 LYS 23 HG2 LYS 23 -11.936 49.432 -14.047 144 HG3 LYS 23 HG3 LYS 23 -10.897 48.861 -15.345 145 HD2 LYS 23 HD2 LYS 23 -13.083 47.224 -14.009 146 HD3 LYS 23 HD3 LYS 23 -13.249 48.070 -15.547 147 HE2 LYS 23 HE2 LYS 23 -11.511 46.654 -16.535 148 HE3 LYS 23 HE3 LYS 23 -11.271 45.839 -14.986 149 HZ1 LYS 23 HZ1 LYS 23 -12.671 44.554 -16.497 150 HZ2 LYS 23 HZ2 LYS 23 -13.796 45.814 -16.563 151 HZ3 LYS 23 HZ3 LYS 23 -13.527 44.999 -15.107 152 H LYS 24 H LYS 24 -9.638 45.608 -11.792 153 HA LYS 24 HA LYS 24 -9.834 43.409 -11.401 154 HB2 LYS 24 HB2 LYS 24 -12.557 44.154 -10.279 155 HB3 LYS 24 HB3 LYS 24 -11.842 42.552 -10.137 156 HG2 LYS 24 HG2 LYS 24 -9.911 43.605 -8.904 157 HG3 LYS 24 HG3 LYS 24 -10.805 45.126 -8.908 158 HD2 LYS 24 HD2 LYS 24 -12.581 44.158 -7.561 159 HD3 LYS 24 HD3 LYS 24 -11.882 42.543 -7.713 160 HE2 LYS 24 HE2 LYS 24 -9.877 43.341 -6.453 161 HE3 LYS 24 HE3 LYS 24 -10.674 44.900 -6.223 162 HZ1 LYS 24 HZ1 LYS 24 -11.738 42.293 -5.282 163 HZ2 LYS 24 HZ2 LYS 24 -12.414 43.813 -4.991 164 HZ3 LYS 24 HZ3 LYS 24 -10.920 43.409 -4.317 165 H GLY 25 H GLY 25 -11.653 41.446 -11.732 166 HA2 GLY 25 HA2 GLY 25 -12.928 41.761 -14.371 167 HA3 GLY 25 HA3 GLY 25 -11.603 40.611 -14.222 168 H GLY 26 H GLY 26 -13.708 41.079 -11.497 169 HA2 GLY 26 HA2 GLY 26 -15.339 39.801 -10.520 170 HA3 GLY 26 HA3 GLY 26 -15.751 39.199 -12.117 171 H GLU 27 H GLU 27 -13.105 38.897 -9.758 172 HA GLU 27 HA GLU 27 -12.669 36.089 -10.549 173 HB2 GLU 27 HB2 GLU 27 -10.415 36.301 -9.495 174 HB3 GLU 27 HB3 GLU 27 -10.655 37.419 -10.818 175 HG2 GLU 27 HG2 GLU 27 -10.757 38.146 -7.879 176 HG3 GLU 27 HG3 GLU 27 -9.380 38.397 -8.942 177 HA PRO 28 HA PRO 28 -14.678 35.491 -6.482 178 HB2 PRO 28 HB2 PRO 28 -16.094 33.267 -7.080 179 HB3 PRO 28 HB3 PRO 28 -16.521 34.843 -7.774 180 HG2 PRO 28 HG2 PRO 28 -15.177 32.527 -9.064 181 HG3 PRO 28 HG3 PRO 28 -16.280 33.731 -9.762 182 HD2 PRO 28 HD2 PRO 28 -13.428 33.751 -9.908 183 HD3 PRO 28 HD3 PRO 28 -14.531 35.042 -10.424 184 HA PRO 29 HA PRO 29 -11.687 32.414 -4.861 185 HB2 PRO 29 HB2 PRO 29 -12.069 32.903 -2.207 186 HB3 PRO 29 HB3 PRO 29 -11.163 34.031 -3.238 187 HG2 PRO 29 HG2 PRO 29 -13.991 34.201 -2.282 188 HG3 PRO 29 HG3 PRO 29 -12.766 35.483 -2.405 189 HD2 PRO 29 HD2 PRO 29 -14.758 35.081 -4.274 190 HD3 PRO 29 HD3 PRO 29 -13.206 35.859 -4.636 191 H ALA 30 H ALA 30 -11.937 30.299 -4.080 192 HA ALA 30 HA ALA 30 -14.685 29.358 -3.462 193 HB1 ALA 30 HB1 ALA 30 -14.304 27.396 -4.902 194 HB2 ALA 30 HB2 ALA 30 -12.720 28.023 -5.369 195 HB3 ALA 30 HB3 ALA 30 -14.185 28.892 -5.831 196 H LEU 31 H LEU 31 -14.037 29.390 -1.248 197 HA LEU 31 HA LEU 31 -12.024 27.710 -0.148 198 HB2 LEU 31 HB2 LEU 31 -13.283 29.623 1.011 199 HB3 LEU 31 HB3 LEU 31 -14.660 28.554 1.156 200 HG LEU 31 HG LEU 31 -13.332 28.822 3.273 201 HD11 LEU 31 HD11 LEU 31 -13.369 25.945 2.308 202 HD12 LEU 31 HD12 LEU 31 -14.731 26.818 3.009 203 HD13 LEU 31 HD13 LEU 31 -13.303 26.493 3.987 204 HD21 LEU 31 HD21 LEU 31 -11.128 27.312 1.828 205 HD22 LEU 31 HD22 LEU 31 -11.143 27.752 3.538 206 HD23 LEU 31 HD23 LEU 31 -11.085 29.011 2.309 207 H ILE 32 H ILE 32 -12.047 25.673 -1.005 208 HA ILE 32 HA ILE 32 -14.423 24.043 -1.253 209 HB ILE 32 HB ILE 32 -11.458 23.337 -1.576 210 HG12 ILE 32 HG12 ILE 32 -13.609 23.880 -3.683 211 HG13 ILE 32 HG13 ILE 32 -12.314 24.984 -3.244 212 HG21 ILE 32 HG21 ILE 32 -12.750 21.315 -1.004 213 HG22 ILE 32 HG22 ILE 32 -12.202 21.252 -2.678 214 HG23 ILE 32 HG23 ILE 32 -13.882 21.650 -2.315 215 HD11 ILE 32 HD11 ILE 32 -11.826 23.893 -5.319 216 HD12 ILE 32 HD12 ILE 32 -12.004 22.303 -4.581 217 HD13 ILE 32 HD13 ILE 32 -10.676 23.362 -4.094 218 H VAL 33 H VAL 33 -15.238 22.700 0.264 219 HA VAL 33 HA VAL 33 -13.722 22.151 2.751 220 HB VAL 33 HB VAL 33 -16.013 21.443 3.694 221 HG11 VAL 33 HG11 VAL 33 -14.936 23.559 4.315 222 HG12 VAL 33 HG12 VAL 33 -16.686 23.753 4.231 223 HG13 VAL 33 HG13 VAL 33 -15.667 24.369 2.926 224 HG21 VAL 33 HG21 VAL 33 -17.265 21.185 1.571 225 HG22 VAL 33 HG22 VAL 33 -17.105 22.911 1.246 226 HG23 VAL 33 HG23 VAL 33 -18.057 22.356 2.626 227 H ASP 34 H ASP 34 -12.487 20.476 2.050 228 HA ASP 34 HA ASP 34 -13.634 17.878 2.275 229 HB2 ASP 34 HB2 ASP 34 -14.127 18.094 -0.102 230 HB3 ASP 34 HB3 ASP 34 -12.490 18.636 -0.449 231 HA PRO 35 HA PRO 35 -9.222 17.603 3.463 232 HB2 PRO 35 HB2 PRO 35 -9.542 16.361 5.806 233 HB3 PRO 35 HB3 PRO 35 -10.068 18.049 5.639 234 HG2 PRO 35 HG2 PRO 35 -11.719 15.558 5.687 235 HG3 PRO 35 HG3 PRO 35 -12.069 17.157 6.374 236 HD2 PRO 35 HD2 PRO 35 -12.971 16.168 3.864 237 HD3 PRO 35 HD3 PRO 35 -13.092 17.843 4.450 238 H LEU 36 H LEU 36 -11.017 15.708 1.760 239 HA LEU 36 HA LEU 36 -11.187 13.637 0.946 240 HB2 LEU 36 HB2 LEU 36 -8.304 13.449 1.894 241 HB3 LEU 36 HB3 LEU 36 -9.083 12.202 0.930 242 HG LEU 36 HG LEU 36 -8.816 15.082 -0.010 243 HD11 LEU 36 HD11 LEU 36 -6.946 14.380 -1.416 244 HD12 LEU 36 HD12 LEU 36 -6.987 12.765 -0.703 245 HD13 LEU 36 HD13 LEU 36 -6.568 14.161 0.292 246 HD21 LEU 36 HD21 LEU 36 -10.613 13.836 -1.106 247 HD22 LEU 36 HD22 LEU 36 -9.489 12.545 -1.537 248 HD23 LEU 36 HD23 LEU 36 -9.296 14.156 -2.234 249 H MET 37 H MET 37 -12.840 13.181 2.439 250 HA MET 37 HA MET 37 -12.548 12.061 5.005 251 HB2 MET 37 HB2 MET 37 -14.690 12.993 4.214 252 HB3 MET 37 HB3 MET 37 -14.830 11.728 3.005 253 HG2 MET 37 HG2 MET 37 -14.840 11.188 5.990 254 HG3 MET 37 HG3 MET 37 -16.295 11.445 5.032 255 HE1 MET 37 HE1 MET 37 -15.545 8.840 6.909 256 HE2 MET 37 HE2 MET 37 -16.178 7.538 5.904 257 HE3 MET 37 HE3 MET 37 -17.114 9.017 6.116 258 H LYS 38 H LYS 38 -13.302 10.419 1.925 259 HA LYS 38 HA LYS 38 -12.631 7.811 2.953 260 HB2 LYS 38 HB2 LYS 38 -13.260 8.772 0.130 261 HB3 LYS 38 HB3 LYS 38 -12.929 7.092 0.534 262 HG2 LYS 38 HG2 LYS 38 -15.215 8.744 1.641 263 HG3 LYS 38 HG3 LYS 38 -15.347 7.549 0.347 264 HD2 LYS 38 HD2 LYS 38 -14.595 5.778 1.949 265 HD3 LYS 38 HD3 LYS 38 -14.537 6.993 3.231 266 HE2 LYS 38 HE2 LYS 38 -16.595 5.719 3.402 267 HE3 LYS 38 HE3 LYS 38 -16.980 7.379 2.939 268 HZ1 LYS 38 HZ1 LYS 38 -17.121 6.589 0.619 269 HZ2 LYS 38 HZ2 LYS 38 -18.264 5.869 1.633 270 HZ3 LYS 38 HZ3 LYS 38 -16.891 5.007 1.164 271 H TYR 39 H TYR 39 -10.717 6.872 2.921 272 HA TYR 39 HA TYR 39 -8.305 8.074 1.987 273 HB2 TYR 39 HB2 TYR 39 -8.948 5.274 3.033 274 HB3 TYR 39 HB3 TYR 39 -7.317 5.827 2.672 275 HD1 TYR 39 HD1 TYR 39 -10.298 6.687 4.826 276 HD2 TYR 39 HD2 TYR 39 -6.063 6.889 4.361 277 HE1 TYR 39 HE1 TYR 39 -10.094 7.631 7.088 278 HE2 TYR 39 HE2 TYR 39 -5.858 7.824 6.617 279 HH TYR 39 HH TYR 39 -7.251 9.069 8.230 280 H ILE 40 H ILE 40 -8.736 8.463 -0.210 281 HA ILE 40 HA ILE 40 -9.508 6.476 -2.106 282 HB ILE 40 HB ILE 40 -8.083 9.150 -2.528 283 HG12 ILE 40 HG12 ILE 40 -11.053 8.466 -2.760 284 HG13 ILE 40 HG13 ILE 40 -10.316 9.370 -1.444 285 HG21 ILE 40 HG21 ILE 40 -9.499 7.431 -4.606 286 HG22 ILE 40 HG22 ILE 40 -7.756 7.675 -4.480 287 HG23 ILE 40 HG23 ILE 40 -8.805 9.033 -4.888 288 HD11 ILE 40 HD11 ILE 40 -10.507 10.244 -4.325 289 HD12 ILE 40 HD12 ILE 40 -9.703 11.146 -3.035 290 HD13 ILE 40 HD13 ILE 40 -11.438 10.851 -2.958 291 H CYS 41 H CYS 41 -8.241 4.760 -2.691 292 HA CYS 41 HA CYS 41 -5.458 4.528 -2.221 293 HB2 CYS 41 HB2 CYS 41 -6.884 2.558 -2.465 294 HB3 CYS 41 HB3 CYS 41 -7.296 3.001 -4.116 295 H HIS 42 H HIS 42 -3.963 5.629 -3.180 296 HA HIS 42 HA HIS 42 -4.353 7.617 -5.055 297 HB2 HIS 42 HB2 HIS 42 -2.489 7.345 -3.336 298 HB3 HIS 42 HB3 HIS 42 -1.671 6.290 -4.478 299 HD1 HIS 42 HD1 HIS 42 0.077 8.348 -3.840 300 HD2 HIS 42 HD2 HIS 42 -2.995 9.205 -6.501 301 HE1 HIS 42 HE1 HIS 42 0.819 10.404 -5.079 302 HE2 HIS 42 HE2 HIS 42 -0.972 10.779 -6.814 303 H ILE 43 H ILE 43 -3.682 4.283 -5.651 304 HA ILE 43 HA ILE 43 -2.674 4.717 -8.364 305 HB ILE 43 HB ILE 43 -2.887 2.149 -6.722 306 HG12 ILE 43 HG12 ILE 43 -0.485 3.944 -7.356 307 HG13 ILE 43 HG13 ILE 43 -1.248 3.749 -5.784 308 HG21 ILE 43 HG21 ILE 43 -1.470 1.096 -8.457 309 HG22 ILE 43 HG22 ILE 43 -1.534 2.579 -9.412 310 HG23 ILE 43 HG23 ILE 43 -3.005 1.649 -9.133 311 HD11 ILE 43 HD11 ILE 43 0.288 1.649 -7.295 312 HD12 ILE 43 HD12 ILE 43 -0.527 1.404 -5.748 313 HD13 ILE 43 HD13 ILE 43 0.815 2.541 -5.867 314 H CYS 44 H CYS 44 -5.598 3.426 -6.717 315 HA CYS 44 HA CYS 44 -6.688 2.577 -9.366 316 HB2 CYS 44 HB2 CYS 44 -7.886 0.781 -8.222 317 HB3 CYS 44 HB3 CYS 44 -6.163 0.664 -7.870 318 H ASN 45 H ASN 45 -6.994 4.942 -7.155 319 HA ASN 45 HA ASN 45 -8.490 6.483 -6.518 320 HB2 ASN 45 HB2 ASN 45 -10.036 5.583 -8.978 321 HB3 ASN 45 HB3 ASN 45 -10.372 7.053 -8.064 322 HD21 ASN 45 HD21 ASN 45 -9.696 6.925 -10.834 323 HD22 ASN 45 HD22 ASN 45 -8.209 7.780 -11.039 324 H ARG 46 H ARG 46 -9.061 3.447 -5.779 325 HA ARG 46 HA ARG 46 -11.903 3.579 -5.088 326 HB2 ARG 46 HB2 ARG 46 -9.892 1.328 -4.637 327 HB3 ARG 46 HB3 ARG 46 -11.632 1.220 -4.398 328 HG2 ARG 46 HG2 ARG 46 -10.218 1.655 -7.047 329 HG3 ARG 46 HG3 ARG 46 -10.958 0.150 -6.507 330 HD2 ARG 46 HD2 ARG 46 -13.179 1.232 -6.524 331 HD3 ARG 46 HD3 ARG 46 -12.443 2.755 -7.026 332 HE ARG 46 HE ARG 46 -11.666 1.340 -9.045 333 HH11 ARG 46 HH11 ARG 46 -14.788 1.064 -7.457 334 HH12 ARG 46 HH12 ARG 46 -15.607 0.508 -8.884 335 HH21 ARG 46 HH21 ARG 46 -12.730 0.574 -10.905 336 HH22 ARG 46 HH22 ARG 46 -14.431 0.230 -10.839 337 H GLY 47 H GLY 47 -12.578 4.371 -3.194 338 HA2 GLY 47 HA2 GLY 47 -10.832 4.489 -0.820 339 HA3 GLY 47 HA3 GLY 47 -12.415 5.233 -0.997 340 H ASP 48 H ASP 48 -12.369 2.113 -2.178 341 HA ASP 48 HA ASP 48 -13.677 0.913 0.191 342 HB2 ASP 48 HB2 ASP 48 -15.087 1.292 -1.892 343 HB3 ASP 48 HB3 ASP 48 -14.029 0.203 -2.769 344 H VAL 49 H VAL 49 -13.392 -1.648 -0.000 345 HA VAL 49 HA VAL 49 -12.006 -3.373 0.489 346 HB VAL 49 HB VAL 49 -10.109 -2.442 -1.724 347 HG11 VAL 49 HG11 VAL 49 -9.286 -4.333 -0.385 348 HG12 VAL 49 HG12 VAL 49 -9.657 -4.854 -2.028 349 HG13 VAL 49 HG13 VAL 49 -10.768 -5.240 -0.709 350 HG21 VAL 49 HG21 VAL 49 -12.371 -2.405 -2.685 351 HG22 VAL 49 HG22 VAL 49 -12.661 -4.056 -2.129 352 HG23 VAL 49 HG23 VAL 49 -11.432 -3.738 -3.356 353 H GLU 50 H GLU 50 -11.840 -1.293 2.095 354 HA GLU 50 HA GLU 50 -9.347 -0.050 2.525 355 HB2 GLU 50 HB2 GLU 50 -11.625 -0.539 4.487 356 HB3 GLU 50 HB3 GLU 50 -10.291 0.586 4.729 357 HG2 GLU 50 HG2 GLU 50 -11.048 1.924 2.812 358 HG3 GLU 50 HG3 GLU 50 -12.359 0.780 2.525 359 H GLU 51 H GLU 51 -10.552 -3.184 3.438 360 HA GLU 51 HA GLU 51 -8.868 -3.850 5.588 361 HB2 GLU 51 HB2 GLU 51 -10.854 -5.180 4.923 362 HB3 GLU 51 HB3 GLU 51 -10.047 -5.670 3.435 363 HG2 GLU 51 HG2 GLU 51 -8.319 -6.837 4.793 364 HG3 GLU 51 HG3 GLU 51 -9.185 -6.382 6.257 365 H SER 52 H SER 52 -8.323 -3.938 2.077 366 HA SER 52 HA SER 52 -5.644 -5.143 2.397 367 HB2 SER 52 HB2 SER 52 -7.218 -4.477 -0.137 368 HB3 SER 52 HB3 SER 52 -5.665 -5.319 -0.074 369 HG SER 52 HG SER 52 -8.152 -6.195 0.964 370 H MET 53 H MET 53 -6.875 -2.175 2.777 371 HA MET 53 HA MET 53 -4.926 -0.668 1.177 372 HB2 MET 53 HB2 MET 53 -7.316 0.073 1.203 373 HB3 MET 53 HB3 MET 53 -7.206 0.345 2.935 374 HG2 MET 53 HG2 MET 53 -5.506 2.092 2.541 375 HG3 MET 53 HG3 MET 53 -5.655 1.842 0.799 376 HE1 MET 53 HE1 MET 53 -8.947 1.272 0.712 377 HE2 MET 53 HE2 MET 53 -8.057 2.188 -0.505 378 HE3 MET 53 HE3 MET 53 -9.471 2.898 0.270 379 H LEU 54 H LEU 54 -3.042 -0.333 2.066 380 HA LEU 54 HA LEU 54 -2.571 -0.237 4.958 381 HB2 LEU 54 HB2 LEU 54 -0.668 -0.367 2.572 382 HB3 LEU 54 HB3 LEU 54 -0.134 -0.179 4.235 383 HG LEU 54 HG LEU 54 -1.184 -2.414 4.775 384 HD11 LEU 54 HD11 LEU 54 -2.813 -2.609 2.986 385 HD12 LEU 54 HD12 LEU 54 -1.695 -3.970 2.951 386 HD13 LEU 54 HD13 LEU 54 -1.525 -2.659 1.779 387 HD21 LEU 54 HD21 LEU 54 0.966 -2.421 2.647 388 HD22 LEU 54 HD22 LEU 54 0.595 -3.754 3.745 389 HD23 LEU 54 HD23 LEU 54 1.203 -2.229 4.385 390 H LEU 55 H LEU 55 -1.958 1.605 5.948 391 HA LEU 55 HA LEU 55 -1.808 4.129 4.393 392 HB2 LEU 55 HB2 LEU 55 -3.986 3.593 5.803 393 HB3 LEU 55 HB3 LEU 55 -2.988 3.961 7.192 394 HG LEU 55 HG LEU 55 -4.493 5.844 6.357 395 HD11 LEU 55 HD11 LEU 55 -2.904 7.660 6.696 396 HD12 LEU 55 HD12 LEU 55 -1.549 6.553 6.468 397 HD13 LEU 55 HD13 LEU 55 -2.621 6.361 7.856 398 HD21 LEU 55 HD21 LEU 55 -4.189 5.485 3.942 399 HD22 LEU 55 HD22 LEU 55 -2.506 6.000 4.064 400 HD23 LEU 55 HD23 LEU 55 -3.808 7.145 4.397 401 H CYS 56 H CYS 56 -0.319 5.676 5.239 402 HA CYS 56 HA CYS 56 2.012 4.429 6.446 403 HB2 CYS 56 HB2 CYS 56 1.833 6.253 4.470 404 HB3 CYS 56 HB3 CYS 56 1.952 7.368 5.792 405 H ASP 57 H ASP 57 2.739 4.751 8.509 406 HA ASP 57 HA ASP 57 1.356 6.331 10.460 407 HB2 ASP 57 HB2 ASP 57 2.736 4.270 10.952 408 HB3 ASP 57 HB3 ASP 57 4.189 5.209 10.632 409 H GLY 58 H GLY 58 3.973 6.914 8.246 410 HA2 GLY 58 HA2 GLY 58 4.202 9.727 9.127 411 HA3 GLY 58 HA3 GLY 58 5.623 8.785 8.709 412 H CYS 59 H CYS 59 3.078 10.656 7.554 413 HA CYS 59 HA CYS 59 2.892 11.964 5.715 414 HB2 CYS 59 HB2 CYS 59 4.297 11.839 3.747 415 HB3 CYS 59 HB3 CYS 59 5.345 11.660 5.143 416 H ASP 60 H ASP 60 0.909 11.715 4.867 417 HA ASP 60 HA ASP 60 -0.277 9.100 4.945 418 HB2 ASP 60 HB2 ASP 60 -1.474 10.937 5.955 419 HB3 ASP 60 HB3 ASP 60 -1.379 11.918 4.505 420 H ASP 61 H ASP 61 -0.373 7.790 3.254 421 HA ASP 61 HA ASP 61 -1.475 8.716 0.740 422 HB2 ASP 61 HB2 ASP 61 1.176 8.771 0.614 423 HB3 ASP 61 HB3 ASP 61 1.045 7.027 0.512 424 H SER 62 H SER 62 -2.950 7.242 0.154 425 HA SER 62 HA SER 62 -3.166 4.723 1.629 426 HB2 SER 62 HB2 SER 62 -5.155 6.050 -0.267 427 HB3 SER 62 HB3 SER 62 -5.475 4.671 0.785 428 HG SER 62 HG SER 62 -5.601 5.962 2.470 429 H TYR 63 H TYR 63 -2.482 2.872 0.747 430 HA TYR 63 HA TYR 63 -2.601 2.456 -2.198 431 HB2 TYR 63 HB2 TYR 63 -0.407 1.535 -0.279 432 HB3 TYR 63 HB3 TYR 63 -0.533 1.040 -1.960 433 HD1 TYR 63 HD2 TYR 63 -0.096 2.695 -3.782 434 HD2 TYR 63 HD1 TYR 63 0.569 3.689 0.315 435 HE1 TYR 63 HE2 TYR 63 1.346 4.557 -4.470 436 HE2 TYR 63 HE1 TYR 63 2.003 5.563 -0.376 437 HH TYR 63 HH TYR 63 2.123 6.740 -3.482 438 H HIS 64 H HIS 64 -3.531 0.485 -2.777 439 HA HIS 64 HA HIS 64 -4.220 -1.453 -0.676 440 HB2 HIS 64 HB2 HIS 64 -4.744 -1.487 -3.668 441 HB3 HIS 64 HB3 HIS 64 -5.172 -2.811 -2.597 442 HD2 HIS 64 HD2 HIS 64 -6.882 -1.744 -0.367 443 HE1 HIS 64 HE1 HIS 64 -8.939 0.557 -3.234 444 HE2 HIS 64 HE2 HIS 64 -9.110 -0.590 -0.996 445 H THR 65 H THR 65 -3.513 -3.642 -0.766 446 HA THR 65 HA THR 65 -0.832 -4.228 -1.192 447 HB THR 65 HB THR 65 -1.662 -6.666 -1.177 448 HG1 THR 65 HG1 THR 65 -3.782 -7.047 -1.240 449 HG21 THR 65 HG21 THR 65 -2.472 -6.602 1.146 450 HG22 THR 65 HG22 THR 65 -2.741 -4.863 1.018 451 HG23 THR 65 HG23 THR 65 -1.100 -5.515 0.936 452 H PHE 66 H PHE 66 -3.630 -5.028 -3.224 453 HA PHE 66 HA PHE 66 -2.116 -6.174 -5.349 454 HB2 PHE 66 HB2 PHE 66 -4.323 -6.354 -6.494 455 HB3 PHE 66 HB3 PHE 66 -4.320 -7.037 -4.881 456 HD1 PHE 66 HD2 PHE 66 -5.621 -4.287 -6.990 457 HD2 PHE 66 HD1 PHE 66 -5.699 -6.051 -3.094 458 HE1 PHE 66 HE2 PHE 66 -7.622 -2.967 -6.427 459 HE2 PHE 66 HE1 PHE 66 -7.701 -4.728 -2.544 460 HZ PHE 66 HZ PHE 66 -8.664 -3.186 -4.205 461 H CYS 67 H CYS 67 -3.140 -2.911 -4.678 462 HA CYS 67 HA CYS 67 -2.992 -1.893 -7.361 463 HB2 CYS 67 HB2 CYS 67 -2.944 -0.490 -4.660 464 HB3 CYS 67 HB3 CYS 67 -2.948 0.372 -6.198 465 H LEU 68 H LEU 68 -0.666 -2.296 -4.727 466 HA LEU 68 HA LEU 68 1.503 -0.821 -5.893 467 HB2 LEU 68 HB2 LEU 68 1.375 -3.003 -3.774 468 HB3 LEU 68 HB3 LEU 68 2.888 -2.245 -4.254 469 HG LEU 68 HG LEU 68 0.519 -0.728 -3.094 470 HD11 LEU 68 HD11 LEU 68 3.064 -1.597 -1.703 471 HD12 LEU 68 HD12 LEU 68 1.447 -2.245 -1.422 472 HD13 LEU 68 HD13 LEU 68 1.802 -0.568 -1.021 473 HD21 LEU 68 HD21 LEU 68 2.137 1.123 -2.822 474 HD22 LEU 68 HD22 LEU 68 1.910 0.683 -4.511 475 HD23 LEU 68 HD23 LEU 68 3.367 0.168 -3.657 476 H LEU 69 H LEU 69 3.304 -1.627 -7.063 477 HA LEU 69 HA LEU 69 3.126 -4.370 -8.164 478 HB2 LEU 69 HB2 LEU 69 3.983 -1.858 -9.660 479 HB3 LEU 69 HB3 LEU 69 4.150 -3.490 -10.288 480 HG LEU 69 HG LEU 69 1.538 -2.038 -9.718 481 HD11 LEU 69 HD11 LEU 69 2.648 -1.241 -11.747 482 HD12 LEU 69 HD12 LEU 69 1.190 -2.143 -12.153 483 HD13 LEU 69 HD13 LEU 69 2.776 -2.895 -12.352 484 HD21 LEU 69 HD21 LEU 69 1.260 -4.414 -9.200 485 HD22 LEU 69 HD22 LEU 69 1.924 -4.859 -10.775 486 HD23 LEU 69 HD23 LEU 69 0.388 -3.995 -10.674 487 HA PRO 70 HA PRO 70 4.257 -6.213 -8.279 488 HB2 PRO 70 HB2 PRO 70 5.785 -7.573 -6.094 489 HB3 PRO 70 HB3 PRO 70 5.683 -7.985 -7.816 490 HG2 PRO 70 HG2 PRO 70 7.936 -6.986 -6.771 491 HG3 PRO 70 HG3 PRO 70 7.408 -6.562 -8.418 492 HD2 PRO 70 HD2 PRO 70 7.083 -4.966 -5.872 493 HD3 PRO 70 HD3 PRO 70 7.657 -4.429 -7.470 494 HA PRO 71 HA PRO 71 1.045 -5.705 -5.161 495 HB2 PRO 71 HB2 PRO 71 0.170 -8.469 -6.012 496 HB3 PRO 71 HB3 PRO 71 -0.754 -6.951 -5.983 497 HG2 PRO 71 HG2 PRO 71 0.066 -7.945 -8.294 498 HG3 PRO 71 HG3 PRO 71 0.162 -6.190 -7.997 499 HD2 PRO 71 HD2 PRO 71 2.366 -8.249 -7.853 500 HD3 PRO 71 HD3 PRO 71 2.385 -6.626 -8.586 501 H LEU 72 H LEU 72 0.800 -6.159 -3.028 502 HA LEU 72 HA LEU 72 2.679 -7.986 -1.785 503 HB2 LEU 72 HB2 LEU 72 0.638 -6.117 -0.501 504 HB3 LEU 72 HB3 LEU 72 1.927 -6.967 0.336 505 HG LEU 72 HG LEU 72 2.264 -4.717 -1.684 506 HD11 LEU 72 HD11 LEU 72 2.783 -4.789 1.311 507 HD12 LEU 72 HD12 LEU 72 1.481 -3.926 0.490 508 HD13 LEU 72 HD13 LEU 72 3.154 -3.439 0.234 509 HD21 LEU 72 HD21 LEU 72 4.417 -6.268 -0.209 510 HD22 LEU 72 HD22 LEU 72 4.674 -4.825 -1.194 511 HD23 LEU 72 HD23 LEU 72 4.096 -6.309 -1.944 512 H THR 73 H THR 73 1.816 -9.983 -2.454 513 HA THR 73 HA THR 73 -0.758 -10.980 -1.777 514 HB THR 73 HB THR 73 0.309 -13.247 -2.048 515 HG1 THR 73 HG1 THR 73 2.626 -12.990 -2.884 516 HG21 THR 73 HG21 THR 73 1.088 -11.260 -4.221 517 HG22 THR 73 HG22 THR 73 -0.477 -12.063 -4.074 518 HG23 THR 73 HG23 THR 73 0.968 -13.013 -4.417 519 H SER 74 H SER 74 2.390 -11.071 -0.192 520 HA SER 74 HA SER 74 1.295 -11.778 2.420 521 HB2 SER 74 HB2 SER 74 4.114 -10.890 1.710 522 HB3 SER 74 HB3 SER 74 3.600 -11.725 3.173 523 HG SER 74 HG SER 74 3.040 -12.993 0.761 524 H ILE 75 H ILE 75 0.318 -10.212 3.525 525 HA ILE 75 HA ILE 75 0.798 -7.374 3.064 526 HB ILE 75 HB ILE 75 -1.052 -8.690 5.124 527 HG12 ILE 75 HG12 ILE 75 -1.630 -7.811 2.256 528 HG13 ILE 75 HG13 ILE 75 -1.626 -9.462 2.853 529 HG21 ILE 75 HG21 ILE 75 -1.088 -5.858 3.982 530 HG22 ILE 75 HG22 ILE 75 -0.552 -6.302 5.602 531 HG23 ILE 75 HG23 ILE 75 -2.242 -6.515 5.145 532 HD11 ILE 75 HD11 ILE 75 -3.590 -7.296 3.581 533 HD12 ILE 75 HD12 ILE 75 -3.593 -8.941 4.228 534 HD13 ILE 75 HD13 ILE 75 -3.863 -8.667 2.507 535 HA PRO 76 HA PRO 76 3.821 -7.328 6.547 536 HB2 PRO 76 HB2 PRO 76 4.298 -4.603 6.515 537 HB3 PRO 76 HB3 PRO 76 5.080 -5.747 5.402 538 HG2 PRO 76 HG2 PRO 76 2.740 -3.954 4.932 539 HG3 PRO 76 HG3 PRO 76 4.095 -4.337 3.848 540 HD2 PRO 76 HD2 PRO 76 1.632 -5.480 3.587 541 HD3 PRO 76 HD3 PRO 76 3.126 -6.325 3.129 542 H LYS 77 H LYS 77 1.983 -7.987 7.795 543 HA LYS 77 HA LYS 77 0.105 -6.380 9.095 544 HB2 LYS 77 HB2 LYS 77 0.114 -8.903 8.895 545 HB3 LYS 77 HB3 LYS 77 1.385 -8.978 10.097 546 HG2 LYS 77 HG2 LYS 77 -1.337 -7.777 10.669 547 HG3 LYS 77 HG3 LYS 77 -1.017 -9.494 10.845 548 HD2 LYS 77 HD2 LYS 77 0.326 -7.254 12.405 549 HD3 LYS 77 HD3 LYS 77 -0.927 -8.339 13.004 550 HE2 LYS 77 HE2 LYS 77 0.576 -10.256 12.787 551 HE3 LYS 77 HE3 LYS 77 1.835 -9.224 12.098 552 HZ1 LYS 77 HZ1 LYS 77 1.870 -7.975 14.207 553 HZ2 LYS 77 HZ2 LYS 77 2.258 -9.602 14.442 554 HZ3 LYS 77 HZ3 LYS 77 0.721 -9.030 14.856 555 H GLY 78 H GLY 78 0.452 -4.806 10.504 556 HA2 GLY 78 HA2 GLY 78 1.252 -4.305 12.796 557 HA3 GLY 78 HA3 GLY 78 2.846 -4.832 12.280 558 H GLU 79 H GLU 79 3.817 -3.606 10.459 559 HA GLU 79 HA GLU 79 3.057 -0.768 10.382 560 HB2 GLU 79 HB2 GLU 79 5.424 -0.103 10.869 561 HB3 GLU 79 HB3 GLU 79 4.632 -0.875 12.235 562 HG2 GLU 79 HG2 GLU 79 5.864 -2.936 11.874 563 HG3 GLU 79 HG3 GLU 79 6.535 -2.325 10.366 564 H TRP 80 H TRP 80 3.363 0.117 8.435 565 HA TRP 80 HA TRP 80 5.446 -0.817 6.626 566 HB2 TRP 80 HB2 TRP 80 3.543 -2.194 5.932 567 HB3 TRP 80 HB3 TRP 80 2.474 -0.800 5.931 568 HD1 TRP 80 HD1 TRP 80 5.233 -2.446 3.790 569 HE1 TRP 80 HE1 TRP 80 5.092 -1.463 1.420 570 HE3 TRP 80 HE3 TRP 80 1.842 1.262 4.665 571 HZ2 TRP 80 HZ2 TRP 80 3.731 0.612 0.088 572 HZ3 TRP 80 HZ3 TRP 80 1.163 2.716 2.781 573 HH2 TRP 80 HH2 TRP 80 2.104 2.389 0.549 574 H LEU 81 H LEU 81 6.119 0.806 5.270 575 HA LEU 81 HA LEU 81 4.977 3.514 5.677 576 HB2 LEU 81 HB2 LEU 81 7.885 2.692 5.370 577 HB3 LEU 81 HB3 LEU 81 7.327 4.356 5.366 578 HG LEU 81 HG LEU 81 7.142 2.421 7.709 579 HD11 LEU 81 HD11 LEU 81 9.439 3.187 7.283 580 HD12 LEU 81 HD12 LEU 81 8.810 3.862 8.785 581 HD13 LEU 81 HD13 LEU 81 8.901 4.868 7.336 582 HD21 LEU 81 HD21 LEU 81 6.303 5.343 7.574 583 HD22 LEU 81 HD22 LEU 81 6.340 4.346 9.031 584 HD23 LEU 81 HD23 LEU 81 5.224 3.951 7.728 585 H CYS 82 H CYS 82 4.634 4.723 3.929 586 HA CYS 82 HA CYS 82 4.370 3.613 1.357 587 HB2 CYS 82 HB2 CYS 82 3.798 5.984 0.722 588 HB3 CYS 82 HB3 CYS 82 2.910 5.407 2.132 589 HA PRO 83 HA PRO 83 8.254 4.288 -0.906 590 HB2 PRO 83 HB2 PRO 83 6.466 5.926 -2.733 591 HB3 PRO 83 HB3 PRO 83 7.708 4.725 -3.161 592 HG2 PRO 83 HG2 PRO 83 5.174 4.016 -3.233 593 HG3 PRO 83 HG3 PRO 83 6.366 2.907 -2.516 594 HD2 PRO 83 HD2 PRO 83 4.348 4.655 -1.149 595 HD3 PRO 83 HD3 PRO 83 4.932 3.035 -0.700 596 H ARG 84 H ARG 84 6.196 7.114 -0.266 597 HA ARG 84 HA ARG 84 7.975 9.239 -0.624 598 HB2 ARG 84 HB2 ARG 84 5.509 9.427 -0.176 599 HB3 ARG 84 HB3 ARG 84 5.794 8.970 1.495 600 HG2 ARG 84 HG2 ARG 84 5.467 11.344 1.402 601 HG3 ARG 84 HG3 ARG 84 7.170 11.056 1.768 602 HD2 ARG 84 HD2 ARG 84 6.908 12.860 0.137 603 HD3 ARG 84 HD3 ARG 84 7.740 11.482 -0.601 604 HE ARG 84 HE ARG 84 4.994 11.211 -1.070 605 HH11 ARG 84 HH11 ARG 84 7.552 13.418 -2.082 606 HH12 ARG 84 HH12 ARG 84 6.778 13.782 -3.590 607 HH21 ARG 84 HH21 ARG 84 4.015 11.682 -3.005 608 HH22 ARG 84 HH22 ARG 84 4.760 12.793 -4.115 609 H CYS 85 H CYS 85 7.459 7.188 2.237 610 HA CYS 85 HA CYS 85 9.240 8.550 4.002 611 HB2 CYS 85 HB2 CYS 85 8.417 5.627 4.172 612 HB3 CYS 85 HB3 CYS 85 8.834 6.725 5.506 613 H VAL 86 H VAL 86 9.577 5.887 1.745 614 HA VAL 86 HA VAL 86 12.059 4.843 2.605 615 HB VAL 86 HB VAL 86 10.838 4.724 -0.197 616 HG11 VAL 86 HG11 VAL 86 13.209 4.050 -0.231 617 HG12 VAL 86 HG12 VAL 86 12.166 2.660 -0.520 618 HG13 VAL 86 HG13 VAL 86 12.916 2.882 1.063 619 HG21 VAL 86 HG21 VAL 86 10.493 2.775 2.114 620 HG22 VAL 86 HG22 VAL 86 9.859 2.563 0.478 621 HG23 VAL 86 HG23 VAL 86 9.259 3.878 1.491 622 H VAL 87 H VAL 87 11.204 7.549 0.500 623 HA VAL 87 HA VAL 87 13.708 8.161 -0.639 624 HB VAL 87 HB VAL 87 11.538 10.138 0.231 625 HG11 VAL 87 HG11 VAL 87 13.718 10.508 -1.854 626 HG12 VAL 87 HG12 VAL 87 13.630 11.303 -0.282 627 HG13 VAL 87 HG13 VAL 87 12.414 11.650 -1.511 628 HG21 VAL 87 HG21 VAL 87 10.592 8.414 -1.229 629 HG22 VAL 87 HG22 VAL 87 11.842 8.712 -2.437 630 HG23 VAL 87 HG23 VAL 87 10.649 9.963 -2.071 631 H GLU 88 H GLU 88 12.363 8.910 2.548 632 HA GLU 88 HA GLU 88 14.583 10.573 3.400 633 HB2 GLU 88 HB2 GLU 88 12.189 9.453 4.910 634 HB3 GLU 88 HB3 GLU 88 13.354 10.582 5.599 635 HG2 GLU 88 HG2 GLU 88 11.513 11.112 3.249 636 HG3 GLU 88 HG3 GLU 88 11.353 11.772 4.876 637 H GLU 89 H GLU 89 14.006 7.215 3.340 638 HA GLU 89 HA GLU 89 15.843 6.639 5.599 639 HB2 GLU 89 HB2 GLU 89 13.971 4.767 4.080 640 HB3 GLU 89 HB3 GLU 89 14.898 4.372 5.526 641 HG2 GLU 89 HG2 GLU 89 13.592 5.966 6.840 642 HG3 GLU 89 HG3 GLU 89 12.705 6.462 5.403 643 H VAL 90 H VAL 90 17.548 5.150 5.354 644 HA VAL 90 HA VAL 90 19.385 4.164 4.445 645 HB VAL 90 HB VAL 90 17.616 3.305 2.104 646 HG11 VAL 90 HG11 VAL 90 19.845 1.823 3.539 647 HG12 VAL 90 HG12 VAL 90 19.954 2.594 1.956 648 HG13 VAL 90 HG13 VAL 90 18.893 1.204 2.181 649 HG21 VAL 90 HG21 VAL 90 16.269 2.964 4.134 650 HG22 VAL 90 HG22 VAL 90 17.581 2.059 4.886 651 HG23 VAL 90 HG23 VAL 90 16.768 1.411 3.459 652 H SER 91 H SER 91 19.040 6.950 3.804 653 HA SER 91 HA SER 91 19.696 7.332 0.973 654 HB2 SER 91 HB2 SER 91 19.198 9.405 3.149 655 HB3 SER 91 HB3 SER 91 19.277 9.700 1.410 656 HG SER 91 HG SER 91 17.470 7.754 2.061 657 H LYS 92 H LYS 92 21.759 6.042 1.875 658 HA LYS 92 HA LYS 92 23.878 7.972 1.492 659 HB2 LYS 92 HB2 LYS 92 25.328 7.072 3.301 660 HB3 LYS 92 HB3 LYS 92 23.909 7.894 3.928 661 HG2 LYS 92 HG2 LYS 92 22.866 5.718 4.446 662 HG3 LYS 92 HG3 LYS 92 24.262 4.882 3.759 663 HD2 LYS 92 HD2 LYS 92 25.694 6.075 5.507 664 HD3 LYS 92 HD3 LYS 92 24.193 6.612 6.263 665 HE2 LYS 92 HE2 LYS 92 24.989 3.715 5.830 666 HE3 LYS 92 HE3 LYS 92 25.164 4.596 7.345 667 HZ1 LYS 92 HZ1 LYS 92 22.789 4.848 7.456 668 HZ2 LYS 92 HZ2 LYS 92 23.181 3.214 7.294 669 HZ3 LYS 92 HZ3 LYS 92 22.594 4.079 5.966 670 HA PRO 93 HA PRO 93 24.736 4.219 -0.998 671 HB2 PRO 93 HB2 PRO 93 25.646 5.440 -3.220 672 HB3 PRO 93 HB3 PRO 93 23.927 5.527 -2.780 673 HG2 PRO 93 HG2 PRO 93 26.052 7.601 -2.481 674 HG3 PRO 93 HG3 PRO 93 24.341 7.792 -2.915 675 HD2 PRO 93 HD2 PRO 93 25.442 8.175 -0.342 676 HD3 PRO 93 HD3 PRO 93 23.716 8.015 -0.725 677 H GLN 94 H GLN 94 26.680 5.991 0.824 678 HA GLN 94 HA GLN 94 29.288 5.655 -0.282 679 HB2 GLN 94 HB2 GLN 94 28.439 6.194 2.599 680 HB3 GLN 94 HB3 GLN 94 30.063 6.399 1.953 681 HG2 GLN 94 HG2 GLN 94 29.312 8.219 0.524 682 HG3 GLN 94 HG3 GLN 94 27.640 7.978 1.033 683 HE21 GLN 94 HE21 GLN 94 29.242 10.387 1.257 684 HE22 GLN 94 HE22 GLN 94 29.314 10.782 2.936 Start of MODEL 7 1 H1 SER 1 H1 SER 1 37.701 75.721 25.433 2 H2 SER 1 H2 SER 1 38.039 77.357 25.198 3 H3 SER 1 H3 SER 1 39.170 76.190 24.743 4 HA SER 1 HA SER 1 38.022 77.100 22.838 5 HB2 SER 1 HB2 SER 1 38.849 74.743 22.803 6 HB3 SER 1 HB3 SER 1 37.285 74.193 23.402 7 HG SER 1 HG SER 1 37.907 74.357 20.941 8 H HIS 2 H HIS 2 35.971 76.991 21.564 9 HA HIS 2 HA HIS 2 33.658 77.705 23.219 10 HB2 HIS 2 HB2 HIS 2 34.347 79.196 21.313 11 HB3 HIS 2 HB3 HIS 2 34.061 77.880 20.181 12 HD2 HIS 2 HD2 HIS 2 31.462 77.552 19.392 13 HE1 HIS 2 HE1 HIS 2 29.855 80.554 21.899 14 HE2 HIS 2 HE2 HIS 2 29.331 78.835 20.114 15 H MET 3 H MET 3 32.080 76.269 23.602 16 HA MET 3 HA MET 3 32.049 73.625 22.504 17 HB2 MET 3 HB2 MET 3 31.272 74.081 24.826 18 HB3 MET 3 HB3 MET 3 29.925 75.020 24.198 19 HG2 MET 3 HG2 MET 3 29.008 73.003 23.125 20 HG3 MET 3 HG3 MET 3 30.377 72.058 23.722 21 HE1 MET 3 HE1 MET 3 28.805 70.266 24.884 22 HE2 MET 3 HE2 MET 3 27.390 71.114 24.254 23 HE3 MET 3 HE3 MET 3 27.477 70.697 25.963 24 H SER 4 H SER 4 31.892 73.975 20.301 25 HA SER 4 HA SER 4 29.627 75.313 19.099 26 HB2 SER 4 HB2 SER 4 31.773 73.584 17.770 27 HB3 SER 4 HB3 SER 4 30.686 74.724 16.971 28 HG SER 4 HG SER 4 31.710 76.410 18.086 29 H GLY 5 H GLY 5 28.041 74.051 20.259 30 HA2 GLY 5 HA2 GLY 5 27.655 71.243 19.670 31 HA3 GLY 5 HA3 GLY 5 26.566 72.305 20.555 32 H GLY 6 H GLY 6 26.161 74.334 18.720 33 HA2 GLY 6 HA2 GLY 6 24.905 74.972 16.918 34 HA3 GLY 6 HA3 GLY 6 25.488 73.535 16.089 35 H SER 7 H SER 7 23.451 73.248 15.127 36 HA SER 7 HA SER 7 21.633 71.595 16.653 37 HB2 SER 7 HB2 SER 7 20.649 74.219 15.429 38 HB3 SER 7 HB3 SER 7 19.587 72.909 15.961 39 HG SER 7 HG SER 7 21.029 73.253 18.007 40 HA PRO 8 HA PRO 8 21.096 69.852 12.435 41 HB2 PRO 8 HB2 PRO 8 18.481 68.788 13.456 42 HB3 PRO 8 HB3 PRO 8 19.864 67.910 12.765 43 HG2 PRO 8 HG2 PRO 8 19.340 67.760 15.374 44 HG3 PRO 8 HG3 PRO 8 21.021 67.840 14.792 45 HD2 PRO 8 HD2 PRO 8 19.323 70.064 15.943 46 HD3 PRO 8 HD3 PRO 8 21.018 69.646 16.290 47 H LEU 9 H LEU 9 20.831 72.194 11.884 48 HA LEU 9 HA LEU 9 18.269 73.476 11.946 49 HB2 LEU 9 HB2 LEU 9 19.291 75.379 10.963 50 HB3 LEU 9 HB3 LEU 9 20.472 74.708 12.069 51 HG LEU 9 HG LEU 9 20.587 74.215 9.061 52 HD11 LEU 9 HD11 LEU 9 22.275 75.990 8.924 53 HD12 LEU 9 HD12 LEU 9 22.025 76.388 10.626 54 HD13 LEU 9 HD13 LEU 9 20.725 76.639 9.458 55 HD21 LEU 9 HD21 LEU 9 22.719 73.942 11.208 56 HD22 LEU 9 HD22 LEU 9 22.943 73.668 9.478 57 HD23 LEU 9 HD23 LEU 9 21.877 72.613 10.402 58 H ALA 10 H ALA 10 19.626 71.233 9.800 59 HA ALA 10 HA ALA 10 18.328 72.099 7.354 60 HB1 ALA 10 HB1 ALA 10 19.337 70.051 6.416 61 HB2 ALA 10 HB2 ALA 10 19.795 69.518 8.035 62 HB3 ALA 10 HB3 ALA 10 20.528 70.967 7.343 63 H THR 11 H THR 11 16.592 71.488 9.723 64 HA THR 11 HA THR 11 14.990 69.204 8.832 65 HB THR 11 HB THR 11 14.602 71.046 11.239 66 HG1 THR 11 HG1 THR 11 16.583 69.675 11.151 67 HG21 THR 11 HG21 THR 11 13.170 69.241 12.145 68 HG22 THR 11 HG22 THR 11 13.374 68.311 10.660 69 HG23 THR 11 HG23 THR 11 12.515 69.852 10.625 70 H GLY 12 H GLY 12 14.873 70.711 6.798 71 HA2 GLY 12 HA2 GLY 12 12.687 72.676 6.839 72 HA3 GLY 12 HA3 GLY 12 13.648 72.165 5.448 73 H THR 13 H THR 13 11.126 71.118 7.683 74 HA THR 13 HA THR 13 10.694 68.568 6.614 75 HB THR 13 HB THR 13 8.751 70.253 8.247 76 HG1 THR 13 HG1 THR 13 10.440 70.114 9.561 77 HG21 THR 13 HG21 THR 13 8.979 67.232 7.962 78 HG22 THR 13 HG22 THR 13 7.683 68.231 7.298 79 HG23 THR 13 HG23 THR 13 7.878 68.085 9.045 80 H THR 14 H THR 14 10.470 68.741 4.376 81 HA THR 14 HA THR 14 8.025 69.879 3.244 82 HB THR 14 HB THR 14 8.913 68.925 1.081 83 HG1 THR 14 HG1 THR 14 10.177 67.232 1.877 84 HG21 THR 14 HG21 THR 14 10.784 70.489 0.796 85 HG22 THR 14 HG22 THR 14 10.911 70.691 2.545 86 HG23 THR 14 HG23 THR 14 9.474 71.260 1.690 87 H ALA 15 H ALA 15 6.232 68.743 3.586 88 HA ALA 15 HA ALA 15 6.146 65.920 4.091 89 HB1 ALA 15 HB1 ALA 15 3.698 66.230 4.152 90 HB2 ALA 15 HB2 ALA 15 3.874 67.867 3.515 91 HB3 ALA 15 HB3 ALA 15 4.514 67.469 5.108 92 H ASN 16 H ASN 16 7.161 65.034 2.263 93 HA ASN 16 HA ASN 16 6.180 65.394 -0.441 94 HB2 ASN 16 HB2 ASN 16 8.093 63.258 0.620 95 HB3 ASN 16 HB3 ASN 16 7.877 63.730 -1.062 96 HD21 ASN 16 HD21 ASN 16 10.271 63.717 0.705 97 HD22 ASN 16 HD22 ASN 16 10.908 65.320 0.619 98 H THR 17 H THR 17 3.944 64.879 0.159 99 HA THR 17 HA THR 17 3.240 62.215 1.022 100 HB THR 17 HB THR 17 1.458 64.539 0.152 101 HG1 THR 17 HG1 THR 17 2.748 63.859 2.532 102 HG21 THR 17 HG21 THR 17 0.223 62.388 0.048 103 HG22 THR 17 HG22 THR 17 -0.341 63.373 1.398 104 HG23 THR 17 HG23 THR 17 0.735 62.008 1.699 105 H ARG 18 H ARG 18 3.876 60.810 -0.591 106 HA ARG 18 HA ARG 18 2.532 60.981 -3.219 107 HB2 ARG 18 HB2 ARG 18 5.096 60.397 -2.844 108 HB3 ARG 18 HB3 ARG 18 4.502 58.806 -2.407 109 HG2 ARG 18 HG2 ARG 18 4.067 60.175 -5.089 110 HG3 ARG 18 HG3 ARG 18 5.266 58.927 -4.764 111 HD2 ARG 18 HD2 ARG 18 3.422 57.332 -4.245 112 HD3 ARG 18 HD3 ARG 18 2.249 58.596 -4.630 113 HE ARG 18 HE ARG 18 4.146 57.952 -6.732 114 HH11 ARG 18 HH11 ARG 18 0.947 57.325 -5.404 115 HH12 ARG 18 HH12 ARG 18 0.330 56.678 -6.886 116 HH21 ARG 18 HH21 ARG 18 3.343 57.076 -8.637 117 HH22 ARG 18 HH22 ARG 18 1.697 56.535 -8.728 118 H GLY 19 H GLY 19 0.487 60.727 -2.072 119 HA2 GLY 19 HA2 GLY 19 -0.182 58.388 -0.551 120 HA3 GLY 19 HA3 GLY 19 -1.292 59.599 -1.165 121 H ALA 20 H ALA 20 0.504 56.677 -2.050 122 HA ALA 20 HA ALA 20 -1.128 56.193 -4.418 123 HB1 ALA 20 HB1 ALA 20 0.182 54.117 -4.620 124 HB2 ALA 20 HB2 ALA 20 0.934 54.430 -3.052 125 HB3 ALA 20 HB3 ALA 20 1.236 55.518 -4.409 126 H SER 21 H SER 21 -3.202 56.129 -3.558 127 HA SER 21 HA SER 21 -3.847 54.300 -1.354 128 HB2 SER 21 HB2 SER 21 -4.676 56.642 -1.249 129 HB3 SER 21 HB3 SER 21 -5.553 56.398 -2.762 130 HG SER 21 HG SER 21 -5.989 55.045 -0.294 131 H GLN 22 H GLN 22 -3.967 52.259 -2.192 132 HA GLN 22 HA GLN 22 -5.427 51.581 -4.596 133 HB2 GLN 22 HB2 GLN 22 -4.347 49.820 -2.338 134 HB3 GLN 22 HB3 GLN 22 -5.138 49.196 -3.779 135 HG2 GLN 22 HG2 GLN 22 -2.780 48.947 -4.103 136 HG3 GLN 22 HG3 GLN 22 -3.324 50.242 -5.165 137 HE21 GLN 22 HE21 GLN 22 -1.291 51.195 -5.335 138 HE22 GLN 22 HE22 GLN 22 -0.522 52.011 -4.018 139 H LYS 23 H LYS 23 -7.502 50.600 -4.687 140 HA LYS 23 HA LYS 23 -9.349 51.762 -2.844 141 HB2 LYS 23 HB2 LYS 23 -9.814 51.524 -5.290 142 HB3 LYS 23 HB3 LYS 23 -9.888 49.777 -5.100 143 HG2 LYS 23 HG2 LYS 23 -12.137 50.799 -5.237 144 HG3 LYS 23 HG3 LYS 23 -11.886 49.979 -3.689 145 HD2 LYS 23 HD2 LYS 23 -11.342 52.192 -2.652 146 HD3 LYS 23 HD3 LYS 23 -11.695 52.979 -4.192 147 HE2 LYS 23 HE2 LYS 23 -14.023 52.370 -4.041 148 HE3 LYS 23 HE3 LYS 23 -13.716 51.323 -2.650 149 HZ1 LYS 23 HZ1 LYS 23 -13.062 53.277 -1.371 150 HZ2 LYS 23 HZ2 LYS 23 -14.642 53.436 -1.947 151 HZ3 LYS 23 HZ3 LYS 23 -13.381 54.282 -2.694 152 H LYS 24 H LYS 24 -8.940 48.313 -3.767 153 HA LYS 24 HA LYS 24 -10.223 47.439 -1.290 154 HB2 LYS 24 HB2 LYS 24 -10.753 46.399 -3.516 155 HB3 LYS 24 HB3 LYS 24 -9.111 45.770 -3.586 156 HG2 LYS 24 HG2 LYS 24 -9.542 44.430 -1.550 157 HG3 LYS 24 HG3 LYS 24 -11.192 45.056 -1.481 158 HD2 LYS 24 HD2 LYS 24 -10.017 43.368 -3.732 159 HD3 LYS 24 HD3 LYS 24 -11.117 42.790 -2.481 160 HE2 LYS 24 HE2 LYS 24 -12.847 44.395 -3.334 161 HE3 LYS 24 HE3 LYS 24 -11.746 44.832 -4.641 162 HZ1 LYS 24 HZ1 LYS 24 -13.374 43.179 -5.338 163 HZ2 LYS 24 HZ2 LYS 24 -12.836 42.107 -4.148 164 HZ3 LYS 24 HZ3 LYS 24 -11.809 42.546 -5.418 165 H GLY 25 H GLY 25 -9.201 46.415 0.363 166 HA2 GLY 25 HA2 GLY 25 -6.353 45.664 0.224 167 HA3 GLY 25 HA3 GLY 25 -6.857 46.833 1.442 168 H GLY 26 H GLY 26 -9.358 45.767 2.091 169 HA2 GLY 26 HA2 GLY 26 -8.707 43.612 3.858 170 HA3 GLY 26 HA3 GLY 26 -10.284 44.343 3.615 171 H GLU 27 H GLU 27 -7.980 42.094 2.186 172 HA GLU 27 HA GLU 27 -9.792 40.807 0.381 173 HB2 GLU 27 HB2 GLU 27 -7.935 39.131 0.146 174 HB3 GLU 27 HB3 GLU 27 -7.404 40.795 -0.072 175 HG2 GLU 27 HG2 GLU 27 -6.594 40.776 2.323 176 HG3 GLU 27 HG3 GLU 27 -6.968 39.053 2.376 177 HA PRO 28 HA PRO 28 -11.931 38.186 3.362 178 HB2 PRO 28 HB2 PRO 28 -12.869 36.183 1.708 179 HB3 PRO 28 HB3 PRO 28 -13.551 37.820 1.737 180 HG2 PRO 28 HG2 PRO 28 -11.578 36.648 -0.196 181 HG3 PRO 28 HG3 PRO 28 -13.002 37.665 -0.515 182 HD2 PRO 28 HD2 PRO 28 -10.491 38.697 -0.472 183 HD3 PRO 28 HD3 PRO 28 -11.905 39.632 0.063 184 HA PRO 29 HA PRO 29 -8.726 35.127 4.484 185 HB2 PRO 29 HB2 PRO 29 -10.809 34.243 6.478 186 HB3 PRO 29 HB3 PRO 29 -9.115 34.721 6.741 187 HG2 PRO 29 HG2 PRO 29 -11.078 36.365 7.451 188 HG3 PRO 29 HG3 PRO 29 -9.603 37.012 6.691 189 HD2 PRO 29 HD2 PRO 29 -12.303 36.500 5.432 190 HD3 PRO 29 HD3 PRO 29 -11.223 37.904 5.252 191 H ALA 30 H ALA 30 -8.372 33.188 3.541 192 HA ALA 30 HA ALA 30 -10.457 31.717 2.219 193 HB1 ALA 30 HB1 ALA 30 -8.215 31.899 1.240 194 HB2 ALA 30 HB2 ALA 30 -8.631 30.209 1.502 195 HB3 ALA 30 HB3 ALA 30 -7.510 31.023 2.600 196 H LEU 31 H LEU 31 -11.569 29.973 2.934 197 HA LEU 31 HA LEU 31 -11.306 28.939 5.611 198 HB2 LEU 31 HB2 LEU 31 -13.500 29.126 4.412 199 HB3 LEU 31 HB3 LEU 31 -12.956 27.935 3.245 200 HG LEU 31 HG LEU 31 -12.864 26.223 5.106 201 HD11 LEU 31 HD11 LEU 31 -13.971 26.716 7.235 202 HD12 LEU 31 HD12 LEU 31 -14.167 28.405 6.758 203 HD13 LEU 31 HD13 LEU 31 -12.552 27.735 7.003 204 HD21 LEU 31 HD21 LEU 31 -15.553 27.573 4.704 205 HD22 LEU 31 HD22 LEU 31 -15.296 25.918 5.270 206 HD23 LEU 31 HD23 LEU 31 -14.821 26.373 3.635 207 H ILE 32 H ILE 32 -10.558 26.815 6.205 208 HA ILE 32 HA ILE 32 -8.513 25.650 4.554 209 HB ILE 32 HB ILE 32 -9.712 24.714 7.205 210 HG12 ILE 32 HG12 ILE 32 -7.395 25.288 8.091 211 HG13 ILE 32 HG13 ILE 32 -6.996 25.944 6.514 212 HG21 ILE 32 HG21 ILE 32 -7.886 23.029 7.327 213 HG22 ILE 32 HG22 ILE 32 -7.395 23.453 5.686 214 HG23 ILE 32 HG23 ILE 32 -8.972 22.715 5.970 215 HD11 ILE 32 HD11 ILE 32 -8.694 27.683 6.817 216 HD12 ILE 32 HD12 ILE 32 -7.501 27.693 8.114 217 HD13 ILE 32 HD13 ILE 32 -9.098 27.007 8.397 218 H VAL 33 H VAL 33 -9.434 25.050 2.662 219 HA VAL 33 HA VAL 33 -11.643 23.103 2.569 220 HB VAL 33 HB VAL 33 -10.253 24.585 0.267 221 HG11 VAL 33 HG11 VAL 33 -11.260 22.480 -0.499 222 HG12 VAL 33 HG12 VAL 33 -12.190 23.851 -1.106 223 HG13 VAL 33 HG13 VAL 33 -12.797 22.909 0.258 224 HG21 VAL 33 HG21 VAL 33 -11.443 26.154 1.743 225 HG22 VAL 33 HG22 VAL 33 -12.916 25.193 1.606 226 HG23 VAL 33 HG23 VAL 33 -12.264 26.013 0.186 227 H ASP 34 H ASP 34 -10.752 21.143 3.105 228 HA ASP 34 HA ASP 34 -8.546 20.123 1.400 229 HB2 ASP 34 HB2 ASP 34 -7.592 20.578 3.607 230 HB3 ASP 34 HB3 ASP 34 -8.908 19.720 4.403 231 HA PRO 35 HA PRO 35 -12.120 17.217 0.816 232 HB2 PRO 35 HB2 PRO 35 -10.831 16.911 -1.865 233 HB3 PRO 35 HB3 PRO 35 -12.512 17.321 -1.464 234 HG2 PRO 35 HG2 PRO 35 -10.845 19.156 -2.498 235 HG3 PRO 35 HG3 PRO 35 -12.077 19.598 -1.290 236 HD2 PRO 35 HD2 PRO 35 -9.122 19.131 -0.892 237 HD3 PRO 35 HD3 PRO 35 -10.166 20.418 -0.239 238 H LEU 36 H LEU 36 -8.684 17.103 0.492 239 HA LEU 36 HA LEU 36 -8.410 14.303 -0.060 240 HB2 LEU 36 HB2 LEU 36 -6.341 16.369 0.758 241 HB3 LEU 36 HB3 LEU 36 -5.976 14.748 0.185 242 HG LEU 36 HG LEU 36 -7.297 16.952 -1.463 243 HD11 LEU 36 HD11 LEU 36 -4.505 15.782 -1.671 244 HD12 LEU 36 HD12 LEU 36 -4.923 17.394 -1.085 245 HD13 LEU 36 HD13 LEU 36 -5.220 16.968 -2.769 246 HD21 LEU 36 HD21 LEU 36 -8.147 14.766 -2.136 247 HD22 LEU 36 HD22 LEU 36 -6.503 14.144 -2.294 248 HD23 LEU 36 HD23 LEU 36 -7.079 15.414 -3.378 249 H MET 37 H MET 37 -9.186 15.914 2.822 250 HA MET 37 HA MET 37 -7.955 14.377 4.804 251 HB2 MET 37 HB2 MET 37 -9.954 14.791 6.212 252 HB3 MET 37 HB3 MET 37 -9.438 16.247 5.374 253 HG2 MET 37 HG2 MET 37 -11.253 16.047 3.781 254 HG3 MET 37 HG3 MET 37 -11.722 14.485 4.449 255 HE1 MET 37 HE1 MET 37 -11.495 18.380 5.180 256 HE2 MET 37 HE2 MET 37 -10.601 17.687 6.536 257 HE3 MET 37 HE3 MET 37 -12.169 18.452 6.806 258 H LYS 38 H LYS 38 -10.597 13.537 2.644 259 HA LYS 38 HA LYS 38 -10.914 10.812 3.520 260 HB2 LYS 38 HB2 LYS 38 -12.683 12.054 2.247 261 HB3 LYS 38 HB3 LYS 38 -11.612 12.163 0.857 262 HG2 LYS 38 HG2 LYS 38 -13.283 10.399 0.543 263 HG3 LYS 38 HG3 LYS 38 -11.653 9.718 0.611 264 HD2 LYS 38 HD2 LYS 38 -12.042 9.084 2.993 265 HD3 LYS 38 HD3 LYS 38 -13.683 9.725 2.884 266 HE2 LYS 38 HE2 LYS 38 -14.237 8.043 1.180 267 HE3 LYS 38 HE3 LYS 38 -12.577 7.441 1.225 268 HZ1 LYS 38 HZ1 LYS 38 -14.468 7.397 3.522 269 HZ2 LYS 38 HZ2 LYS 38 -12.897 6.777 3.517 270 HZ3 LYS 38 HZ3 LYS 38 -14.083 6.072 2.544 271 H TYR 39 H TYR 39 -9.132 9.603 3.487 272 HA TYR 39 HA TYR 39 -6.764 10.020 2.164 273 HB2 TYR 39 HB2 TYR 39 -7.953 7.554 3.441 274 HB3 TYR 39 HB3 TYR 39 -6.382 7.466 2.661 275 HD1 TYR 39 HD2 TYR 39 -4.507 8.968 3.507 276 HD2 TYR 39 HD1 TYR 39 -8.140 8.401 5.686 277 HE1 TYR 39 HE2 TYR 39 -3.402 9.736 5.554 278 HE2 TYR 39 HE1 TYR 39 -7.026 9.161 7.743 279 HH TYR 39 HH TYR 39 -3.971 10.695 7.718 280 H ILE 40 H ILE 40 -8.828 7.236 1.398 281 HA ILE 40 HA ILE 40 -9.225 5.996 -0.450 282 HB ILE 40 HB ILE 40 -8.660 8.680 -1.764 283 HG12 ILE 40 HG12 ILE 40 -10.762 8.472 -0.481 284 HG13 ILE 40 HG13 ILE 40 -11.098 8.695 -2.194 285 HG21 ILE 40 HG21 ILE 40 -9.483 6.199 -3.298 286 HG22 ILE 40 HG22 ILE 40 -7.966 7.086 -3.452 287 HG23 ILE 40 HG23 ILE 40 -9.482 7.847 -3.931 288 HD11 ILE 40 HD11 ILE 40 -12.593 7.075 -1.207 289 HD12 ILE 40 HD12 ILE 40 -11.234 6.080 -0.687 290 HD13 ILE 40 HD13 ILE 40 -11.569 6.297 -2.411 291 H CYS 41 H CYS 41 -8.128 4.550 -1.926 292 HA CYS 41 HA CYS 41 -5.312 4.289 -1.723 293 HB2 CYS 41 HB2 CYS 41 -6.802 2.377 -2.203 294 HB3 CYS 41 HB3 CYS 41 -7.218 3.075 -3.764 295 H HIS 42 H HIS 42 -3.874 5.573 -2.649 296 HA HIS 42 HA HIS 42 -4.575 7.654 -4.440 297 HB2 HIS 42 HB2 HIS 42 -2.943 7.969 -2.632 298 HB3 HIS 42 HB3 HIS 42 -1.868 6.784 -3.346 299 HD1 HIS 42 HD1 HIS 42 -0.111 7.674 -4.836 300 HD2 HIS 42 HD2 HIS 42 -3.196 10.395 -4.296 301 HE1 HIS 42 HE1 HIS 42 0.620 9.749 -6.021 302 HE2 HIS 42 HE2 HIS 42 -1.154 11.445 -5.483 303 H ILE 43 H ILE 43 -3.890 4.475 -5.188 304 HA ILE 43 HA ILE 43 -2.914 5.141 -7.910 305 HB ILE 43 HB ILE 43 -2.855 2.483 -6.391 306 HG12 ILE 43 HG12 ILE 43 -0.631 4.327 -7.372 307 HG13 ILE 43 HG13 ILE 43 -1.139 4.130 -5.702 308 HG21 ILE 43 HG21 ILE 43 -1.674 1.550 -8.367 309 HG22 ILE 43 HG22 ILE 43 -1.963 3.054 -9.246 310 HG23 ILE 43 HG23 ILE 43 -3.322 2.037 -8.768 311 HD11 ILE 43 HD11 ILE 43 0.124 1.978 -7.400 312 HD12 ILE 43 HD12 ILE 43 -0.339 1.846 -5.701 313 HD13 ILE 43 HD13 ILE 43 0.932 2.966 -6.180 314 H CYS 44 H CYS 44 -5.511 3.507 -6.073 315 HA CYS 44 HA CYS 44 -6.777 2.424 -8.454 316 HB2 CYS 44 HB2 CYS 44 -7.658 2.403 -5.536 317 HB3 CYS 44 HB3 CYS 44 -8.420 1.497 -6.864 318 H ASN 45 H ASN 45 -7.392 4.975 -6.100 319 HA ASN 45 HA ASN 45 -8.578 6.857 -6.067 320 HB2 ASN 45 HB2 ASN 45 -8.036 7.188 -8.481 321 HB3 ASN 45 HB3 ASN 45 -9.494 6.303 -8.918 322 HD21 ASN 45 HD21 ASN 45 -9.008 8.715 -6.361 323 HD22 ASN 45 HD22 ASN 45 -10.133 9.860 -6.991 324 H ARG 46 H ARG 46 -10.271 4.000 -7.247 325 HA ARG 46 HA ARG 46 -12.879 4.887 -6.384 326 HB2 ARG 46 HB2 ARG 46 -11.948 2.100 -7.215 327 HB3 ARG 46 HB3 ARG 46 -13.613 2.645 -7.078 328 HG2 ARG 46 HG2 ARG 46 -11.563 3.572 -9.108 329 HG3 ARG 46 HG3 ARG 46 -12.986 2.573 -9.414 330 HD2 ARG 46 HD2 ARG 46 -13.000 5.481 -8.522 331 HD3 ARG 46 HD3 ARG 46 -13.359 4.883 -10.144 332 HE ARG 46 HE ARG 46 -15.056 3.674 -8.215 333 HH11 ARG 46 HH11 ARG 46 -14.649 6.690 -9.994 334 HH12 ARG 46 HH12 ARG 46 -16.334 7.106 -9.895 335 HH21 ARG 46 HH21 ARG 46 -17.236 4.236 -8.070 336 HH22 ARG 46 HH22 ARG 46 -17.803 5.709 -8.798 337 H GLY 47 H GLY 47 -10.481 2.494 -5.230 338 HA2 GLY 47 HA2 GLY 47 -9.903 2.241 -2.930 339 HA3 GLY 47 HA3 GLY 47 -11.499 2.805 -2.457 340 H ASP 48 H ASP 48 -13.329 1.355 -3.071 341 HA ASP 48 HA ASP 48 -14.475 -0.562 -3.145 342 HB2 ASP 48 HB2 ASP 48 -13.375 -0.725 -5.356 343 HB3 ASP 48 HB3 ASP 48 -12.032 -1.615 -4.640 344 H VAL 49 H VAL 49 -11.335 -2.266 -2.847 345 HA VAL 49 HA VAL 49 -12.243 -3.665 -0.444 346 HB VAL 49 HB VAL 49 -9.552 -3.893 -1.877 347 HG11 VAL 49 HG11 VAL 49 -9.426 -4.707 0.444 348 HG12 VAL 49 HG12 VAL 49 -9.324 -6.061 -0.683 349 HG13 VAL 49 HG13 VAL 49 -10.833 -5.744 0.177 350 HG21 VAL 49 HG21 VAL 49 -11.366 -4.543 -3.386 351 HG22 VAL 49 HG22 VAL 49 -12.003 -5.653 -2.172 352 HG23 VAL 49 HG23 VAL 49 -10.423 -5.955 -2.900 353 H GLU 50 H GLU 50 -12.340 -1.959 1.071 354 HA GLU 50 HA GLU 50 -10.152 -0.273 1.807 355 HB2 GLU 50 HB2 GLU 50 -12.536 0.231 2.277 356 HB3 GLU 50 HB3 GLU 50 -12.611 -1.125 3.395 357 HG2 GLU 50 HG2 GLU 50 -10.953 -0.006 4.856 358 HG3 GLU 50 HG3 GLU 50 -10.880 1.352 3.734 359 H GLU 51 H GLU 51 -11.098 -3.508 2.659 360 HA GLU 51 HA GLU 51 -9.846 -3.942 5.089 361 HB2 GLU 51 HB2 GLU 51 -10.334 -5.885 2.798 362 HB3 GLU 51 HB3 GLU 51 -9.960 -6.360 4.455 363 HG2 GLU 51 HG2 GLU 51 -12.050 -5.334 5.252 364 HG3 GLU 51 HG3 GLU 51 -12.408 -4.758 3.626 365 H SER 52 H SER 52 -8.400 -4.030 1.842 366 HA SER 52 HA SER 52 -5.767 -4.756 2.999 367 HB2 SER 52 HB2 SER 52 -6.676 -4.719 0.094 368 HB3 SER 52 HB3 SER 52 -5.089 -5.235 0.668 369 HG SER 52 HG SER 52 -6.500 -6.714 2.059 370 H MET 53 H MET 53 -7.254 -2.004 2.901 371 HA MET 53 HA MET 53 -5.372 -0.356 1.379 372 HB2 MET 53 HB2 MET 53 -7.784 0.253 1.358 373 HB3 MET 53 HB3 MET 53 -7.772 0.457 3.104 374 HG2 MET 53 HG2 MET 53 -6.158 2.336 2.835 375 HG3 MET 53 HG3 MET 53 -6.261 2.147 1.086 376 HE1 MET 53 HE1 MET 53 -8.503 2.642 -0.333 377 HE2 MET 53 HE2 MET 53 -10.020 3.146 0.408 378 HE3 MET 53 HE3 MET 53 -9.415 1.510 0.671 379 H LEU 54 H LEU 54 -3.459 -0.208 2.322 380 HA LEU 54 HA LEU 54 -3.009 -0.247 5.201 381 HB2 LEU 54 HB2 LEU 54 -1.049 0.032 2.877 382 HB3 LEU 54 HB3 LEU 54 -0.611 -0.262 4.552 383 HG LEU 54 HG LEU 54 -2.173 -2.201 2.801 384 HD11 LEU 54 HD11 LEU 54 0.109 -1.965 2.016 385 HD12 LEU 54 HD12 LEU 54 -0.084 -3.524 2.811 386 HD13 LEU 54 HD13 LEU 54 0.739 -2.206 3.647 387 HD21 LEU 54 HD21 LEU 54 -1.752 -3.828 4.610 388 HD22 LEU 54 HD22 LEU 54 -2.736 -2.477 5.162 389 HD23 LEU 54 HD23 LEU 54 -1.026 -2.549 5.593 390 H LEU 55 H LEU 55 -1.905 1.473 6.316 391 HA LEU 55 HA LEU 55 -2.403 4.170 5.164 392 HB2 LEU 55 HB2 LEU 55 -3.811 3.252 7.183 393 HB3 LEU 55 HB3 LEU 55 -2.364 3.457 8.141 394 HG LEU 55 HG LEU 55 -4.049 5.313 8.393 395 HD11 LEU 55 HD11 LEU 55 -2.531 7.216 8.275 396 HD12 LEU 55 HD12 LEU 55 -1.405 6.286 7.280 397 HD13 LEU 55 HD13 LEU 55 -1.721 5.800 8.947 398 HD21 LEU 55 HD21 LEU 55 -4.890 5.317 6.093 399 HD22 LEU 55 HD22 LEU 55 -3.356 5.980 5.520 400 HD23 LEU 55 HD23 LEU 55 -4.384 6.927 6.596 401 H CYS 56 H CYS 56 -0.488 5.238 4.730 402 HA CYS 56 HA CYS 56 2.065 4.475 5.857 403 HB2 CYS 56 HB2 CYS 56 1.678 5.302 3.487 404 HB3 CYS 56 HB3 CYS 56 1.411 6.898 4.132 405 H ASP 57 H ASP 57 1.905 4.859 8.053 406 HA ASP 57 HA ASP 57 0.833 7.267 9.204 407 HB2 ASP 57 HB2 ASP 57 0.694 5.117 10.360 408 HB3 ASP 57 HB3 ASP 57 2.448 5.003 10.415 409 H GLY 58 H GLY 58 2.006 8.978 8.436 410 HA2 GLY 58 HA2 GLY 58 3.877 10.117 10.012 411 HA3 GLY 58 HA3 GLY 58 4.868 9.230 8.852 412 H CYS 59 H CYS 59 3.379 9.421 6.558 413 HA CYS 59 HA CYS 59 3.803 12.295 5.891 414 HB2 CYS 59 HB2 CYS 59 4.273 11.238 3.579 415 HB3 CYS 59 HB3 CYS 59 5.465 10.936 4.876 416 H ASP 60 H ASP 60 1.417 9.888 6.143 417 HA ASP 60 HA ASP 60 -0.818 9.952 5.878 418 HB2 ASP 60 HB2 ASP 60 -0.632 12.410 6.403 419 HB3 ASP 60 HB3 ASP 60 -0.469 12.757 4.690 420 H ASP 61 H ASP 61 -0.442 8.198 4.396 421 HA ASP 61 HA ASP 61 -1.481 8.783 1.706 422 HB2 ASP 61 HB2 ASP 61 0.781 6.781 2.099 423 HB3 ASP 61 HB3 ASP 61 0.073 7.291 0.582 424 H SER 62 H SER 62 -2.364 6.821 0.656 425 HA SER 62 HA SER 62 -2.747 4.450 2.324 426 HB2 SER 62 HB2 SER 62 -5.092 6.006 1.125 427 HB3 SER 62 HB3 SER 62 -5.202 4.374 1.787 428 HG SER 62 HG SER 62 -3.994 5.938 3.574 429 H TYR 63 H TYR 63 -2.367 2.705 1.193 430 HA TYR 63 HA TYR 63 -2.971 2.543 -1.699 431 HB2 TYR 63 HB2 TYR 63 -0.255 1.796 -0.487 432 HB3 TYR 63 HB3 TYR 63 -0.753 1.468 -2.141 433 HD1 TYR 63 HD2 TYR 63 -1.104 3.380 -3.741 434 HD2 TYR 63 HD1 TYR 63 0.630 3.965 0.114 435 HE1 TYR 63 HE2 TYR 63 -0.236 5.559 -4.450 436 HE2 TYR 63 HE1 TYR 63 1.497 6.146 -0.602 437 HH TYR 63 HH TYR 63 2.057 7.330 -2.674 438 H HIS 64 H HIS 64 -3.575 0.432 -2.349 439 HA HIS 64 HA HIS 64 -3.920 -1.591 -0.297 440 HB2 HIS 64 HB2 HIS 64 -4.140 -1.953 -3.316 441 HB3 HIS 64 HB3 HIS 64 -4.741 -3.059 -2.092 442 HD2 HIS 64 HD2 HIS 64 -6.580 -1.271 -0.307 443 HE1 HIS 64 HE1 HIS 64 -8.329 0.002 -3.937 444 HE2 HIS 64 HE2 HIS 64 -8.744 -0.453 -1.483 445 H THR 65 H THR 65 -2.927 -3.704 -0.425 446 HA THR 65 HA THR 65 -0.141 -3.808 -0.857 447 HB THR 65 HB THR 65 -0.495 -6.323 -0.657 448 HG1 THR 65 HG1 THR 65 -2.513 -7.118 -0.505 449 HG21 THR 65 HG21 THR 65 -1.827 -4.586 1.446 450 HG22 THR 65 HG22 THR 65 -0.098 -4.928 1.330 451 HG23 THR 65 HG23 THR 65 -1.230 -6.226 1.693 452 H PHE 66 H PHE 66 -2.906 -4.839 -2.798 453 HA PHE 66 HA PHE 66 -1.243 -5.592 -5.087 454 HB2 PHE 66 HB2 PHE 66 -3.378 -6.393 -6.095 455 HB3 PHE 66 HB3 PHE 66 -3.026 -7.157 -4.561 456 HD1 PHE 66 HD1 PHE 66 -4.293 -6.276 -2.461 457 HD2 PHE 66 HD2 PHE 66 -5.500 -5.368 -6.469 458 HE1 PHE 66 HE1 PHE 66 -6.563 -5.725 -1.673 459 HE2 PHE 66 HE2 PHE 66 -7.760 -4.815 -5.665 460 HZ PHE 66 HZ PHE 66 -8.289 -4.994 -3.267 461 H CYS 67 H CYS 67 -0.835 -3.019 -4.648 462 HA CYS 67 HA CYS 67 -2.016 -1.665 -6.998 463 HB2 CYS 67 HB2 CYS 67 -1.582 -0.405 -4.234 464 HB3 CYS 67 HB3 CYS 67 -1.814 0.544 -5.712 465 H LEU 68 H LEU 68 0.442 -1.449 -4.475 466 HA LEU 68 HA LEU 68 2.419 -0.132 -6.042 467 HB2 LEU 68 HB2 LEU 68 2.610 -1.659 -3.417 468 HB3 LEU 68 HB3 LEU 68 3.888 -0.648 -4.074 469 HG LEU 68 HG LEU 68 1.136 0.406 -3.271 470 HD11 LEU 68 HD11 LEU 68 3.759 0.529 -1.751 471 HD12 LEU 68 HD12 LEU 68 2.339 -0.419 -1.311 472 HD13 LEU 68 HD13 LEU 68 2.254 1.339 -1.295 473 HD21 LEU 68 HD21 LEU 68 2.255 1.763 -4.997 474 HD22 LEU 68 HD22 LEU 68 3.695 1.886 -3.983 475 HD23 LEU 68 HD23 LEU 68 2.175 2.619 -3.459 476 H LEU 69 H LEU 69 3.246 -1.175 -7.801 477 HA LEU 69 HA LEU 69 3.626 -4.013 -7.898 478 HB2 LEU 69 HB2 LEU 69 4.567 -3.602 -10.173 479 HB3 LEU 69 HB3 LEU 69 2.941 -3.013 -9.912 480 HG LEU 69 HG LEU 69 4.144 -0.673 -9.511 481 HD11 LEU 69 HD11 LEU 69 6.137 -0.325 -10.898 482 HD12 LEU 69 HD12 LEU 69 6.216 -2.056 -11.243 483 HD13 LEU 69 HD13 LEU 69 6.465 -1.468 -9.597 484 HD21 LEU 69 HD21 LEU 69 3.778 -1.870 -12.261 485 HD22 LEU 69 HD22 LEU 69 3.881 -0.146 -11.895 486 HD23 LEU 69 HD23 LEU 69 2.536 -1.098 -11.272 487 HA PRO 70 HA PRO 70 4.935 -5.801 -8.569 488 HB2 PRO 70 HB2 PRO 70 6.558 -7.368 -6.612 489 HB3 PRO 70 HB3 PRO 70 6.492 -7.514 -8.381 490 HG2 PRO 70 HG2 PRO 70 8.664 -6.527 -7.133 491 HG3 PRO 70 HG3 PRO 70 8.151 -5.931 -8.728 492 HD2 PRO 70 HD2 PRO 70 7.690 -4.684 -6.011 493 HD3 PRO 70 HD3 PRO 70 8.224 -3.918 -7.530 494 HA PRO 71 HA PRO 71 1.686 -5.410 -5.540 495 HB2 PRO 71 HB2 PRO 71 0.361 -7.882 -6.005 496 HB3 PRO 71 HB3 PRO 71 0.109 -6.379 -6.907 497 HG2 PRO 71 HG2 PRO 71 1.833 -8.719 -7.613 498 HG3 PRO 71 HG3 PRO 71 0.800 -7.724 -8.665 499 HD2 PRO 71 HD2 PRO 71 3.438 -7.370 -8.665 500 HD3 PRO 71 HD3 PRO 71 2.356 -5.961 -8.750 501 H LEU 72 H LEU 72 1.923 -5.614 -3.421 502 HA LEU 72 HA LEU 72 3.637 -7.415 -2.120 503 HB2 LEU 72 HB2 LEU 72 1.419 -5.750 -0.868 504 HB3 LEU 72 HB3 LEU 72 2.830 -6.385 -0.041 505 HG LEU 72 HG LEU 72 2.875 -4.229 -2.197 506 HD11 LEU 72 HD11 LEU 72 3.417 -2.659 -0.390 507 HD12 LEU 72 HD12 LEU 72 3.226 -3.941 0.807 508 HD13 LEU 72 HD13 LEU 72 1.837 -3.400 -0.141 509 HD21 LEU 72 HD21 LEU 72 5.235 -3.900 -1.565 510 HD22 LEU 72 HD22 LEU 72 4.953 -5.514 -2.212 511 HD23 LEU 72 HD23 LEU 72 5.140 -5.285 -0.471 512 H THR 73 H THR 73 3.082 -9.541 -2.461 513 HA THR 73 HA THR 73 0.548 -10.725 -2.315 514 HB THR 73 HB THR 73 3.208 -12.094 -1.713 515 HG1 THR 73 HG1 THR 73 1.996 -11.548 -4.240 516 HG21 THR 73 HG21 THR 73 0.675 -13.202 -3.001 517 HG22 THR 73 HG22 THR 73 1.215 -13.547 -1.355 518 HG23 THR 73 HG23 THR 73 2.177 -14.088 -2.732 519 H SER 74 H SER 74 2.908 -9.997 0.176 520 HA SER 74 HA SER 74 1.275 -11.249 2.301 521 HB2 SER 74 HB2 SER 74 3.290 -10.722 3.753 522 HB3 SER 74 HB3 SER 74 3.609 -11.853 2.445 523 HG SER 74 HG SER 74 4.346 -9.143 2.672 524 H ILE 75 H ILE 75 -0.049 -10.017 3.374 525 HA ILE 75 HA ILE 75 -0.020 -7.099 3.219 526 HB ILE 75 HB ILE 75 -2.114 -8.930 4.510 527 HG12 ILE 75 HG12 ILE 75 -1.972 -7.773 1.688 528 HG13 ILE 75 HG13 ILE 75 -1.884 -9.471 2.127 529 HG21 ILE 75 HG21 ILE 75 -3.633 -6.976 4.358 530 HG22 ILE 75 HG22 ILE 75 -2.325 -6.001 3.688 531 HG23 ILE 75 HG23 ILE 75 -2.219 -6.595 5.346 532 HD11 ILE 75 HD11 ILE 75 -4.299 -7.686 2.381 533 HD12 ILE 75 HD12 ILE 75 -4.217 -9.386 2.858 534 HD13 ILE 75 HD13 ILE 75 -4.014 -8.931 1.167 535 HA PRO 76 HA PRO 76 2.191 -7.242 7.212 536 HB2 PRO 76 HB2 PRO 76 2.571 -4.506 7.503 537 HB3 PRO 76 HB3 PRO 76 3.549 -5.528 6.430 538 HG2 PRO 76 HG2 PRO 76 1.227 -3.764 5.737 539 HG3 PRO 76 HG3 PRO 76 2.781 -3.967 4.891 540 HD2 PRO 76 HD2 PRO 76 0.518 -5.203 4.046 541 HD3 PRO 76 HD3 PRO 76 2.119 -5.948 3.861 542 H LYS 77 H LYS 77 1.307 -7.492 9.135 543 HA LYS 77 HA LYS 77 -1.230 -6.345 9.939 544 HB2 LYS 77 HB2 LYS 77 -0.635 -8.654 10.625 545 HB3 LYS 77 HB3 LYS 77 0.780 -8.052 11.484 546 HG2 LYS 77 HG2 LYS 77 -0.743 -6.756 12.998 547 HG3 LYS 77 HG3 LYS 77 -2.130 -7.506 12.194 548 HD2 LYS 77 HD2 LYS 77 -1.315 -9.753 12.909 549 HD3 LYS 77 HD3 LYS 77 0.078 -8.995 13.687 550 HE2 LYS 77 HE2 LYS 77 -1.468 -7.782 15.214 551 HE3 LYS 77 HE3 LYS 77 -2.832 -8.608 14.461 552 HZ1 LYS 77 HZ1 LYS 77 -2.123 -9.632 16.559 553 HZ2 LYS 77 HZ2 LYS 77 -0.609 -9.982 15.897 554 HZ3 LYS 77 HZ3 LYS 77 -2.000 -10.710 15.264 555 H GLY 78 H GLY 78 2.205 -5.962 10.624 556 HA2 GLY 78 HA2 GLY 78 2.005 -4.059 12.762 557 HA3 GLY 78 HA3 GLY 78 3.447 -4.489 11.852 558 H GLU 79 H GLU 79 3.499 -2.024 12.392 559 HA GLU 79 HA GLU 79 1.992 -0.203 10.849 560 HB2 GLU 79 HB2 GLU 79 3.283 0.307 12.995 561 HB3 GLU 79 HB3 GLU 79 4.756 0.299 12.033 562 HG2 GLU 79 HG2 GLU 79 3.913 2.587 12.446 563 HG3 GLU 79 HG3 GLU 79 3.968 2.196 10.725 564 H TRP 80 H TRP 80 2.532 0.941 8.932 565 HA TRP 80 HA TRP 80 4.629 -0.247 7.224 566 HB2 TRP 80 HB2 TRP 80 2.634 -1.518 6.739 567 HB3 TRP 80 HB3 TRP 80 1.635 -0.074 6.679 568 HD1 TRP 80 HD1 TRP 80 4.072 -2.135 4.525 569 HE1 TRP 80 HE1 TRP 80 3.816 -1.371 2.084 570 HE3 TRP 80 HE3 TRP 80 1.076 1.952 5.251 571 HZ2 TRP 80 HZ2 TRP 80 2.505 0.692 0.655 572 HZ3 TRP 80 HZ3 TRP 80 0.366 3.270 3.292 573 HH2 TRP 80 HH2 TRP 80 1.072 2.649 1.039 574 H LEU 81 H LEU 81 5.509 1.094 5.786 575 HA LEU 81 HA LEU 81 4.364 3.776 5.281 576 HB2 LEU 81 HB2 LEU 81 7.296 3.033 5.680 577 HB3 LEU 81 HB3 LEU 81 6.779 4.563 4.987 578 HG LEU 81 HG LEU 81 6.115 3.632 7.819 579 HD11 LEU 81 HD11 LEU 81 8.509 4.174 7.579 580 HD12 LEU 81 HD12 LEU 81 7.671 5.358 8.579 581 HD13 LEU 81 HD13 LEU 81 8.090 5.755 6.910 582 HD21 LEU 81 HD21 LEU 81 5.279 5.923 8.131 583 HD22 LEU 81 HD22 LEU 81 4.372 5.064 6.891 584 HD23 LEU 81 HD23 LEU 81 5.578 6.267 6.424 585 H CYS 82 H CYS 82 4.429 4.470 3.179 586 HA CYS 82 HA CYS 82 4.557 2.538 1.098 587 HB2 CYS 82 HB2 CYS 82 4.116 4.579 -0.356 588 HB3 CYS 82 HB3 CYS 82 2.952 4.319 0.948 589 HA PRO 83 HA PRO 83 8.916 2.657 -0.215 590 HB2 PRO 83 HB2 PRO 83 7.609 2.784 -2.955 591 HB3 PRO 83 HB3 PRO 83 8.954 1.763 -2.384 592 HG2 PRO 83 HG2 PRO 83 6.521 0.723 -2.600 593 HG3 PRO 83 HG3 PRO 83 7.554 0.312 -1.211 594 HD2 PRO 83 HD2 PRO 83 5.169 2.125 -1.313 595 HD3 PRO 83 HD3 PRO 83 5.737 1.076 0.005 596 H ARG 84 H ARG 84 6.549 4.911 -1.551 597 HA ARG 84 HA ARG 84 8.031 6.930 -2.673 598 HB2 ARG 84 HB2 ARG 84 5.574 6.997 -2.620 599 HB3 ARG 84 HB3 ARG 84 5.573 7.131 -0.866 600 HG2 ARG 84 HG2 ARG 84 6.838 9.351 -1.204 601 HG3 ARG 84 HG3 ARG 84 6.395 9.217 -2.900 602 HD2 ARG 84 HD2 ARG 84 4.026 9.343 -2.337 603 HD3 ARG 84 HD3 ARG 84 4.397 9.290 -0.605 604 HE ARG 84 HE ARG 84 5.579 11.464 -2.178 605 HH11 ARG 84 HH11 ARG 84 3.052 10.571 0.136 606 HH12 ARG 84 HH12 ARG 84 2.750 12.214 0.597 607 HH21 ARG 84 HH21 ARG 84 5.164 13.580 -1.553 608 HH22 ARG 84 HH22 ARG 84 3.948 13.927 -0.362 609 H CYS 85 H CYS 85 7.132 6.705 0.759 610 HA CYS 85 HA CYS 85 8.616 9.065 1.439 611 HB2 CYS 85 HB2 CYS 85 7.061 7.146 3.207 612 HB3 CYS 85 HB3 CYS 85 7.493 8.830 3.563 613 H VAL 86 H VAL 86 9.101 5.615 1.637 614 HA VAL 86 HA VAL 86 11.224 5.501 3.504 615 HB VAL 86 HB VAL 86 10.773 3.729 1.041 616 HG11 VAL 86 HG11 VAL 86 12.092 2.005 2.256 617 HG12 VAL 86 HG12 VAL 86 12.420 3.172 3.542 618 HG13 VAL 86 HG13 VAL 86 13.058 3.441 1.919 619 HG21 VAL 86 HG21 VAL 86 8.821 3.748 2.548 620 HG22 VAL 86 HG22 VAL 86 9.858 3.334 3.914 621 HG23 VAL 86 HG23 VAL 86 9.627 2.177 2.598 622 H VAL 87 H VAL 87 11.096 6.434 0.102 623 HA VAL 87 HA VAL 87 13.974 6.850 -0.121 624 HB VAL 87 HB VAL 87 11.725 7.524 -2.080 625 HG11 VAL 87 HG11 VAL 87 14.727 7.501 -2.583 626 HG12 VAL 87 HG12 VAL 87 13.694 8.929 -2.534 627 HG13 VAL 87 HG13 VAL 87 13.477 7.732 -3.811 628 HG21 VAL 87 HG21 VAL 87 12.448 5.511 -3.319 629 HG22 VAL 87 HG22 VAL 87 11.908 5.110 -1.689 630 HG23 VAL 87 HG23 VAL 87 13.633 5.159 -2.056 631 H GLU 88 H GLU 88 11.021 8.838 0.189 632 HA GLU 88 HA GLU 88 12.366 11.319 -0.403 633 HB2 GLU 88 HB2 GLU 88 9.504 10.697 0.377 634 HB3 GLU 88 HB3 GLU 88 10.069 12.359 0.209 635 HG2 GLU 88 HG2 GLU 88 10.826 11.691 -2.160 636 HG3 GLU 88 HG3 GLU 88 9.872 10.228 -1.933 637 H GLU 89 H GLU 89 11.977 9.648 2.566 638 HA GLU 89 HA GLU 89 12.165 12.018 4.248 639 HB2 GLU 89 HB2 GLU 89 12.456 9.056 4.864 640 HB3 GLU 89 HB3 GLU 89 12.646 10.308 6.091 641 HG2 GLU 89 HG2 GLU 89 10.312 11.063 5.646 642 HG3 GLU 89 HG3 GLU 89 10.130 9.757 4.474 643 H VAL 90 H VAL 90 14.394 10.180 2.418 644 HA VAL 90 HA VAL 90 16.706 11.428 3.819 645 HB VAL 90 HB VAL 90 16.738 8.908 2.074 646 HG11 VAL 90 HG11 VAL 90 18.926 10.109 3.815 647 HG12 VAL 90 HG12 VAL 90 18.879 10.119 2.049 648 HG13 VAL 90 HG13 VAL 90 19.028 8.591 2.917 649 HG21 VAL 90 HG21 VAL 90 16.860 9.094 5.110 650 HG22 VAL 90 HG22 VAL 90 17.053 7.620 4.156 651 HG23 VAL 90 HG23 VAL 90 15.507 8.471 4.161 652 H SER 91 H SER 91 18.098 12.657 2.575 653 HA SER 91 HA SER 91 17.911 12.614 -0.362 654 HB2 SER 91 HB2 SER 91 18.061 15.158 -0.350 655 HB3 SER 91 HB3 SER 91 16.524 14.518 0.225 656 HG SER 91 HG SER 91 18.653 15.604 1.742 657 H LYS 92 H LYS 92 19.880 11.742 -0.729 658 HA LYS 92 HA LYS 92 22.102 11.463 -0.974 659 HB2 LYS 92 HB2 LYS 92 22.131 14.363 -0.057 660 HB3 LYS 92 HB3 LYS 92 23.644 13.502 -0.300 661 HG2 LYS 92 HG2 LYS 92 23.207 14.757 -2.282 662 HG3 LYS 92 HG3 LYS 92 22.951 13.055 -2.667 663 HD2 LYS 92 HD2 LYS 92 20.494 13.402 -2.458 664 HD3 LYS 92 HD3 LYS 92 20.779 15.110 -2.103 665 HE2 LYS 92 HE2 LYS 92 21.806 15.391 -4.341 666 HE3 LYS 92 HE3 LYS 92 21.516 13.683 -4.682 667 HZ1 LYS 92 HZ1 LYS 92 19.826 15.088 -5.676 668 HZ2 LYS 92 HZ2 LYS 92 19.424 15.727 -4.166 669 HZ3 LYS 92 HZ3 LYS 92 19.134 14.097 -4.491 670 HA PRO 93 HA PRO 93 24.184 9.897 2.852 671 HB2 PRO 93 HB2 PRO 93 26.362 11.868 2.040 672 HB3 PRO 93 HB3 PRO 93 26.527 10.216 2.683 673 HG2 PRO 93 HG2 PRO 93 26.776 10.637 0.077 674 HG3 PRO 93 HG3 PRO 93 25.895 9.210 0.669 675 HD2 PRO 93 HD2 PRO 93 24.815 11.692 -0.595 676 HD3 PRO 93 HD3 PRO 93 24.145 10.046 -0.585 677 H GLN 94 H GLN 94 23.060 10.641 4.556 678 HA GLN 94 HA GLN 94 23.239 13.469 5.426 679 HB2 GLN 94 HB2 GLN 94 21.051 12.986 4.450 680 HB3 GLN 94 HB3 GLN 94 20.864 11.551 5.448 681 HG2 GLN 94 HG2 GLN 94 20.644 12.908 7.457 682 HG3 GLN 94 HG3 GLN 94 21.019 14.373 6.549 683 HE21 GLN 94 HE21 GLN 94 19.003 15.241 7.343 684 HE22 GLN 94 HE22 GLN 94 17.513 14.809 6.584 Start of MODEL 8 1 H1 SER 1 H1 SER 1 5.517 103.222 5.110 2 H2 SER 1 H2 SER 1 4.817 101.704 5.355 3 H3 SER 1 H3 SER 1 6.273 102.097 6.115 4 HA SER 1 HA SER 1 4.422 102.178 7.655 5 HB2 SER 1 HB2 SER 1 5.651 104.905 7.043 6 HB3 SER 1 HB3 SER 1 4.939 104.426 8.586 7 HG SER 1 HG SER 1 6.567 102.938 8.862 8 H HIS 2 H HIS 2 2.276 101.970 7.250 9 HA HIS 2 HA HIS 2 0.658 104.255 6.499 10 HB2 HIS 2 HB2 HIS 2 -0.399 103.175 4.526 11 HB3 HIS 2 HB3 HIS 2 1.323 103.411 4.258 12 HD2 HIS 2 HD2 HIS 2 -1.260 100.655 4.024 13 HE1 HIS 2 HE1 HIS 2 2.523 98.762 4.073 14 HE2 HIS 2 HE2 HIS 2 0.029 98.421 3.792 15 H MET 3 H MET 3 -1.775 103.440 6.374 16 HA MET 3 HA MET 3 -2.411 101.906 8.709 17 HB2 MET 3 HB2 MET 3 -4.242 102.677 6.389 18 HB3 MET 3 HB3 MET 3 -4.767 102.048 7.944 19 HG2 MET 3 HG2 MET 3 -5.154 104.404 7.943 20 HG3 MET 3 HG3 MET 3 -3.797 104.091 9.027 21 HE1 MET 3 HE1 MET 3 -4.897 105.380 5.488 22 HE2 MET 3 HE2 MET 3 -3.702 104.157 5.058 23 HE3 MET 3 HE3 MET 3 -3.356 105.860 4.773 24 H SER 4 H SER 4 -1.949 99.800 8.775 25 HA SER 4 HA SER 4 -2.582 98.033 6.500 26 HB2 SER 4 HB2 SER 4 -0.164 98.652 6.325 27 HB3 SER 4 HB3 SER 4 0.098 98.077 7.967 28 HG SER 4 HG SER 4 0.694 96.448 6.580 29 H GLY 5 H GLY 5 -2.748 95.792 7.104 30 HA2 GLY 5 HA2 GLY 5 -3.799 95.251 9.742 31 HA3 GLY 5 HA3 GLY 5 -3.572 94.096 8.432 32 H GLY 6 H GLY 6 -0.690 95.086 8.203 33 HA2 GLY 6 HA2 GLY 6 1.395 94.699 9.152 34 HA3 GLY 6 HA3 GLY 6 0.613 94.196 10.647 35 H SER 7 H SER 7 -0.543 92.065 10.532 36 HA SER 7 HA SER 7 0.320 90.166 8.498 37 HB2 SER 7 HB2 SER 7 0.944 89.758 11.461 38 HB3 SER 7 HB3 SER 7 1.139 88.525 10.216 39 HG SER 7 HG SER 7 2.463 90.534 9.288 40 HA PRO 8 HA PRO 8 -3.862 88.727 9.635 41 HB2 PRO 8 HB2 PRO 8 -4.084 86.595 7.991 42 HB3 PRO 8 HB3 PRO 8 -3.995 88.241 7.329 43 HG2 PRO 8 HG2 PRO 8 -1.833 86.175 7.542 44 HG3 PRO 8 HG3 PRO 8 -2.242 87.244 6.181 45 HD2 PRO 8 HD2 PRO 8 -0.214 87.773 7.985 46 HD3 PRO 8 HD3 PRO 8 -1.064 89.023 7.054 47 H LEU 9 H LEU 9 -4.889 86.450 10.225 48 HA LEU 9 HA LEU 9 -3.484 85.442 12.531 49 HB2 LEU 9 HB2 LEU 9 -6.048 84.442 11.221 50 HB3 LEU 9 HB3 LEU 9 -5.464 83.957 12.805 51 HG LEU 9 HG LEU 9 -6.367 86.761 12.047 52 HD11 LEU 9 HD11 LEU 9 -7.792 84.686 13.744 53 HD12 LEU 9 HD12 LEU 9 -8.258 85.204 12.122 54 HD13 LEU 9 HD13 LEU 9 -8.328 86.346 13.463 55 HD21 LEU 9 HD21 LEU 9 -6.199 87.279 14.449 56 HD22 LEU 9 HD22 LEU 9 -4.636 86.836 13.769 57 HD23 LEU 9 HD23 LEU 9 -5.529 85.674 14.753 58 H ALA 10 H ALA 10 -2.106 83.744 12.596 59 HA ALA 10 HA ALA 10 -1.524 82.135 10.270 60 HB1 ALA 10 HB1 ALA 10 0.202 81.092 11.689 61 HB2 ALA 10 HB2 ALA 10 -0.443 81.924 13.105 62 HB3 ALA 10 HB3 ALA 10 0.282 82.852 11.791 63 H THR 11 H THR 11 -3.605 81.183 9.947 64 HA THR 11 HA THR 11 -4.893 79.569 11.980 65 HB THR 11 HB THR 11 -6.257 80.910 10.449 66 HG1 THR 11 HG1 THR 11 -7.753 79.302 9.905 67 HG21 THR 11 HG21 THR 11 -6.505 80.368 8.062 68 HG22 THR 11 HG22 THR 11 -5.250 79.135 8.189 69 HG23 THR 11 HG23 THR 11 -4.843 80.837 8.422 70 H GLY 12 H GLY 12 -5.650 77.357 11.440 71 HA2 GLY 12 HA2 GLY 12 -4.016 75.685 9.702 72 HA3 GLY 12 HA3 GLY 12 -3.810 75.414 11.434 73 H THR 13 H THR 13 -6.251 75.566 8.866 74 HA THR 13 HA THR 13 -7.930 73.610 10.324 75 HB THR 13 HB THR 13 -8.962 75.943 8.636 76 HG1 THR 13 HG1 THR 13 -8.542 75.572 11.400 77 HG21 THR 13 HG21 THR 13 -11.191 75.294 9.543 78 HG22 THR 13 HG22 THR 13 -10.455 73.902 10.340 79 HG23 THR 13 HG23 THR 13 -10.488 73.993 8.579 80 H THR 14 H THR 14 -7.534 71.798 9.235 81 HA THR 14 HA THR 14 -8.294 71.593 6.408 82 HB THR 14 HB THR 14 -5.696 70.448 7.576 83 HG1 THR 14 HG1 THR 14 -6.320 72.621 5.931 84 HG21 THR 14 HG21 THR 14 -5.252 69.550 5.307 85 HG22 THR 14 HG22 THR 14 -6.840 70.104 4.775 86 HG23 THR 14 HG23 THR 14 -6.712 68.833 5.991 87 H ALA 15 H ALA 15 -9.355 69.608 5.993 88 HA ALA 15 HA ALA 15 -10.590 68.237 8.131 89 HB1 ALA 15 HB1 ALA 15 -10.306 67.356 5.236 90 HB2 ALA 15 HB2 ALA 15 -11.585 68.390 5.871 91 HB3 ALA 15 HB3 ALA 15 -11.462 66.713 6.403 92 H ASN 16 H ASN 16 -9.928 66.592 9.332 93 HA ASN 16 HA ASN 16 -7.313 65.550 9.339 94 HB2 ASN 16 HB2 ASN 16 -8.670 65.731 11.387 95 HB3 ASN 16 HB3 ASN 16 -9.840 64.579 10.753 96 HD21 ASN 16 HD21 ASN 16 -6.537 64.937 11.942 97 HD22 ASN 16 HD22 ASN 16 -6.308 63.277 12.347 98 H THR 17 H THR 17 -6.686 64.515 7.546 99 HA THR 17 HA THR 17 -8.348 62.755 5.997 100 HB THR 17 HB THR 17 -6.253 62.499 4.584 101 HG1 THR 17 HG1 THR 17 -4.657 62.825 6.142 102 HG21 THR 17 HG21 THR 17 -7.060 65.364 5.218 103 HG22 THR 17 HG22 THR 17 -7.893 64.286 4.098 104 HG23 THR 17 HG23 THR 17 -6.249 64.822 3.746 105 H ARG 18 H ARG 18 -8.801 61.130 7.619 106 HA ARG 18 HA ARG 18 -6.806 58.956 7.666 107 HB2 ARG 18 HB2 ARG 18 -8.406 59.915 10.083 108 HB3 ARG 18 HB3 ARG 18 -7.526 58.392 10.037 109 HG2 ARG 18 HG2 ARG 18 -5.401 59.621 9.808 110 HG3 ARG 18 HG3 ARG 18 -6.282 61.153 9.815 111 HD2 ARG 18 HD2 ARG 18 -5.313 60.688 12.028 112 HD3 ARG 18 HD3 ARG 18 -7.076 60.697 12.112 113 HE ARG 18 HE ARG 18 -5.947 58.076 11.708 114 HH11 ARG 18 HH11 ARG 18 -6.811 60.407 14.204 115 HH12 ARG 18 HH12 ARG 18 -6.957 59.200 15.440 116 HH21 ARG 18 HH21 ARG 18 -6.124 56.511 13.358 117 HH22 ARG 18 HH22 ARG 18 -6.566 57.000 14.964 118 H GLY 19 H GLY 19 -7.965 57.903 6.038 119 HA2 GLY 19 HA2 GLY 19 -10.814 57.247 6.440 120 HA3 GLY 19 HA3 GLY 19 -9.904 57.067 4.949 121 H ALA 20 H ALA 20 -11.586 55.112 6.455 122 HA ALA 20 HA ALA 20 -9.792 53.221 7.724 123 HB1 ALA 20 HB1 ALA 20 -11.819 51.908 8.171 124 HB2 ALA 20 HB2 ALA 20 -12.762 52.981 7.132 125 HB3 ALA 20 HB3 ALA 20 -12.055 53.597 8.626 126 H SER 21 H SER 21 -8.402 52.339 6.185 127 HA SER 21 HA SER 21 -9.432 50.945 3.829 128 HB2 SER 21 HB2 SER 21 -7.041 50.349 3.458 129 HB3 SER 21 HB3 SER 21 -7.241 52.085 3.705 130 HG SER 21 HG SER 21 -6.139 50.156 5.423 131 H GLN 22 H GLN 22 -9.117 48.641 3.517 132 HA GLN 22 HA GLN 22 -9.001 47.026 6.013 133 HB2 GLN 22 HB2 GLN 22 -10.830 46.605 3.612 134 HB3 GLN 22 HB3 GLN 22 -10.654 45.473 4.952 135 HG2 GLN 22 HG2 GLN 22 -11.525 47.198 6.512 136 HG3 GLN 22 HG3 GLN 22 -11.713 48.307 5.153 137 HE21 GLN 22 HE21 GLN 22 -13.947 48.481 5.494 138 HE22 GLN 22 HE22 GLN 22 -15.043 47.204 5.120 139 H LYS 23 H LYS 23 -8.999 46.549 2.467 140 HA LYS 23 HA LYS 23 -7.963 45.112 1.090 141 HB2 LYS 23 HB2 LYS 23 -6.037 46.638 1.836 142 HB3 LYS 23 HB3 LYS 23 -5.528 45.342 2.907 143 HG2 LYS 23 HG2 LYS 23 -4.227 45.424 0.795 144 HG3 LYS 23 HG3 LYS 23 -5.066 43.885 1.006 145 HD2 LYS 23 HD2 LYS 23 -6.863 44.690 -0.531 146 HD3 LYS 23 HD3 LYS 23 -5.959 46.186 -0.777 147 HE2 LYS 23 HE2 LYS 23 -4.931 43.415 -1.474 148 HE3 LYS 23 HE3 LYS 23 -5.683 44.524 -2.619 149 HZ1 LYS 23 HZ1 LYS 23 -3.322 44.662 -2.779 150 HZ2 LYS 23 HZ2 LYS 23 -3.164 44.981 -1.128 151 HZ3 LYS 23 HZ3 LYS 23 -3.911 46.111 -2.141 152 H LYS 24 H LYS 24 -6.356 42.860 1.323 153 HA LYS 24 HA LYS 24 -6.209 40.703 1.925 154 HB2 LYS 24 HB2 LYS 24 -5.813 41.697 4.237 155 HB3 LYS 24 HB3 LYS 24 -7.523 41.480 4.563 156 HG2 LYS 24 HG2 LYS 24 -6.266 39.695 5.606 157 HG3 LYS 24 HG3 LYS 24 -7.246 39.031 4.297 158 HD2 LYS 24 HD2 LYS 24 -5.274 38.950 2.836 159 HD3 LYS 24 HD3 LYS 24 -4.283 39.669 4.109 160 HE2 LYS 24 HE2 LYS 24 -4.615 37.704 5.522 161 HE3 LYS 24 HE3 LYS 24 -5.714 36.994 4.333 162 HZ1 LYS 24 HZ1 LYS 24 -2.819 37.552 3.933 163 HZ2 LYS 24 HZ2 LYS 24 -3.859 36.944 2.749 164 HZ3 LYS 24 HZ3 LYS 24 -3.530 36.029 4.128 165 H GLY 25 H GLY 25 -7.689 38.724 2.466 166 HA2 GLY 25 HA2 GLY 25 -9.736 37.596 2.397 167 HA3 GLY 25 HA3 GLY 25 -10.560 39.137 2.206 168 H GLY 26 H GLY 26 -7.907 38.420 0.121 169 HA2 GLY 26 HA2 GLY 26 -9.629 38.514 -2.244 170 HA3 GLY 26 HA3 GLY 26 -7.876 38.641 -2.197 171 H GLU 27 H GLU 27 -9.972 36.127 -0.833 172 HA GLU 27 HA GLU 27 -8.739 34.086 -2.592 173 HB2 GLU 27 HB2 GLU 27 -9.925 33.784 0.200 174 HB3 GLU 27 HB3 GLU 27 -9.363 32.445 -0.796 175 HG2 GLU 27 HG2 GLU 27 -7.072 33.334 -0.730 176 HG3 GLU 27 HG3 GLU 27 -7.631 34.720 0.211 177 HA PRO 28 HA PRO 28 -13.118 34.376 -4.099 178 HB2 PRO 28 HB2 PRO 28 -12.639 33.291 -6.578 179 HB3 PRO 28 HB3 PRO 28 -12.236 34.977 -6.190 180 HG2 PRO 28 HG2 PRO 28 -10.442 32.572 -6.220 181 HG3 PRO 28 HG3 PRO 28 -10.162 34.187 -6.912 182 HD2 PRO 28 HD2 PRO 28 -9.106 33.456 -4.535 183 HD3 PRO 28 HD3 PRO 28 -9.627 35.126 -4.850 184 HA PRO 29 HA PRO 29 -14.601 30.189 -3.280 185 HB2 PRO 29 HB2 PRO 29 -16.727 29.952 -5.025 186 HB3 PRO 29 HB3 PRO 29 -16.783 30.947 -3.556 187 HG2 PRO 29 HG2 PRO 29 -16.255 31.806 -6.386 188 HG3 PRO 29 HG3 PRO 29 -17.319 32.539 -5.163 189 HD2 PRO 29 HD2 PRO 29 -14.881 33.556 -5.647 190 HD3 PRO 29 HD3 PRO 29 -15.551 33.516 -4.000 191 H ALA 30 H ALA 30 -12.546 29.429 -4.141 192 HA ALA 30 HA ALA 30 -12.706 27.496 -6.260 193 HB1 ALA 30 HB1 ALA 30 -11.003 28.506 -7.745 194 HB2 ALA 30 HB2 ALA 30 -10.952 29.942 -6.721 195 HB3 ALA 30 HB3 ALA 30 -12.417 29.554 -7.618 196 H LEU 31 H LEU 31 -11.670 28.430 -3.346 197 HA LEU 31 HA LEU 31 -8.938 27.438 -3.334 198 HB2 LEU 31 HB2 LEU 31 -9.626 29.269 -1.808 199 HB3 LEU 31 HB3 LEU 31 -10.821 28.217 -1.072 200 HG LEU 31 HG LEU 31 -8.985 26.758 -0.203 201 HD11 LEU 31 HD11 LEU 31 -7.109 28.881 -1.281 202 HD12 LEU 31 HD12 LEU 31 -7.245 27.210 -1.837 203 HD13 LEU 31 HD13 LEU 31 -6.663 27.548 -0.211 204 HD21 LEU 31 HD21 LEU 31 -8.813 29.674 0.651 205 HD22 LEU 31 HD22 LEU 31 -8.265 28.290 1.599 206 HD23 LEU 31 HD23 LEU 31 -9.977 28.481 1.234 207 H ILE 32 H ILE 32 -8.817 25.298 -3.773 208 HA ILE 32 HA ILE 32 -10.874 23.413 -3.185 209 HB ILE 32 HB ILE 32 -8.009 22.848 -4.082 210 HG12 ILE 32 HG12 ILE 32 -10.552 23.168 -5.751 211 HG13 ILE 32 HG13 ILE 32 -9.225 24.320 -5.688 212 HG21 ILE 32 HG21 ILE 32 -8.892 20.666 -4.883 213 HG22 ILE 32 HG22 ILE 32 -10.474 21.053 -4.204 214 HG23 ILE 32 HG23 ILE 32 -9.086 20.836 -3.136 215 HD11 ILE 32 HD11 ILE 32 -9.123 21.523 -6.814 216 HD12 ILE 32 HD12 ILE 32 -7.750 22.630 -6.719 217 HD13 ILE 32 HD13 ILE 32 -9.144 23.035 -7.720 218 H VAL 33 H VAL 33 -11.173 23.510 -0.957 219 HA VAL 33 HA VAL 33 -9.283 22.419 0.919 220 HB VAL 33 HB VAL 33 -12.342 22.430 1.054 221 HG11 VAL 33 HG11 VAL 33 -10.328 22.159 3.320 222 HG12 VAL 33 HG12 VAL 33 -11.349 20.874 2.674 223 HG13 VAL 33 HG13 VAL 33 -12.085 22.247 3.499 224 HG21 VAL 33 HG21 VAL 33 -11.500 24.712 0.736 225 HG22 VAL 33 HG22 VAL 33 -10.403 24.529 2.106 226 HG23 VAL 33 HG23 VAL 33 -12.149 24.523 2.364 227 H ASP 34 H ASP 34 -9.339 20.174 1.720 228 HA ASP 34 HA ASP 34 -9.051 18.228 -0.189 229 HB2 ASP 34 HB2 ASP 34 -9.832 17.864 2.728 230 HB3 ASP 34 HB3 ASP 34 -9.286 16.550 1.688 231 HA PRO 35 HA PRO 35 -13.405 18.051 -1.529 232 HB2 PRO 35 HB2 PRO 35 -12.377 15.894 -3.371 233 HB3 PRO 35 HB3 PRO 35 -13.243 17.398 -3.764 234 HG2 PRO 35 HG2 PRO 35 -10.645 17.188 -4.272 235 HG3 PRO 35 HG3 PRO 35 -11.320 18.707 -3.641 236 HD2 PRO 35 HD2 PRO 35 -9.807 16.558 -2.162 237 HD3 PRO 35 HD3 PRO 35 -9.641 18.327 -2.069 238 H LEU 36 H LEU 36 -11.766 14.881 -1.514 239 HA LEU 36 HA LEU 36 -14.130 13.616 -0.287 240 HB2 LEU 36 HB2 LEU 36 -11.673 12.366 -1.600 241 HB3 LEU 36 HB3 LEU 36 -13.045 11.476 -0.955 242 HG LEU 36 HG LEU 36 -13.130 13.389 -3.325 243 HD11 LEU 36 HD11 LEU 36 -13.367 10.360 -3.282 244 HD12 LEU 36 HD12 LEU 36 -11.991 11.289 -3.874 245 HD13 LEU 36 HD13 LEU 36 -13.539 11.393 -4.707 246 HD21 LEU 36 HD21 LEU 36 -15.471 12.636 -3.645 247 HD22 LEU 36 HD22 LEU 36 -15.256 13.482 -2.119 248 HD23 LEU 36 HD23 LEU 36 -15.383 11.721 -2.134 249 H MET 37 H MET 37 -10.573 13.355 -0.033 250 HA MET 37 HA MET 37 -9.215 12.531 1.563 251 HB2 MET 37 HB2 MET 37 -9.374 14.924 2.227 252 HB3 MET 37 HB3 MET 37 -10.706 14.534 3.303 253 HG2 MET 37 HG2 MET 37 -9.164 13.050 4.601 254 HG3 MET 37 HG3 MET 37 -7.843 13.579 3.559 255 HE1 MET 37 HE1 MET 37 -7.932 13.706 6.774 256 HE2 MET 37 HE2 MET 37 -7.193 15.277 7.077 257 HE3 MET 37 HE3 MET 37 -6.514 14.208 5.848 258 H LYS 38 H LYS 38 -10.008 10.424 1.619 259 HA LYS 38 HA LYS 38 -11.448 9.665 4.101 260 HB2 LYS 38 HB2 LYS 38 -12.884 9.461 2.041 261 HB3 LYS 38 HB3 LYS 38 -11.696 8.375 1.340 262 HG2 LYS 38 HG2 LYS 38 -12.129 6.804 3.268 263 HG3 LYS 38 HG3 LYS 38 -13.453 7.864 3.756 264 HD2 LYS 38 HD2 LYS 38 -14.583 7.477 1.604 265 HD3 LYS 38 HD3 LYS 38 -13.238 6.482 1.043 266 HE2 LYS 38 HE2 LYS 38 -15.073 5.843 3.375 267 HE3 LYS 38 HE3 LYS 38 -15.142 5.106 1.774 268 HZ1 LYS 38 HZ1 LYS 38 -13.963 3.740 3.436 269 HZ2 LYS 38 HZ2 LYS 38 -12.800 4.953 3.590 270 HZ3 LYS 38 HZ3 LYS 38 -12.985 4.149 2.120 271 H TYR 39 H TYR 39 -8.546 9.790 2.718 272 HA TYR 39 HA TYR 39 -6.628 8.641 2.504 273 HB2 TYR 39 HB2 TYR 39 -7.783 7.018 4.818 274 HB3 TYR 39 HB3 TYR 39 -6.126 6.872 4.244 275 HD1 TYR 39 HD2 TYR 39 -4.552 8.734 4.489 276 HD2 TYR 39 HD1 TYR 39 -8.461 8.936 6.183 277 HE1 TYR 39 HE2 TYR 39 -3.839 10.610 5.904 278 HE2 TYR 39 HE1 TYR 39 -7.763 10.829 7.585 279 HH TYR 39 HH TYR 39 -4.889 12.530 7.107 280 H ILE 40 H ILE 40 -7.514 8.179 0.447 281 HA ILE 40 HA ILE 40 -8.772 5.575 -0.070 282 HB ILE 40 HB ILE 40 -8.289 7.967 -1.919 283 HG12 ILE 40 HG12 ILE 40 -10.864 7.301 -0.396 284 HG13 ILE 40 HG13 ILE 40 -9.738 8.581 0.042 285 HG21 ILE 40 HG21 ILE 40 -10.045 7.000 -3.351 286 HG22 ILE 40 HG22 ILE 40 -10.202 5.629 -2.250 287 HG23 ILE 40 HG23 ILE 40 -8.702 5.874 -3.141 288 HD11 ILE 40 HD11 ILE 40 -10.203 9.701 -2.109 289 HD12 ILE 40 HD12 ILE 40 -11.646 9.498 -1.117 290 HD13 ILE 40 HD13 ILE 40 -11.370 8.433 -2.494 291 H CYS 41 H CYS 41 -8.000 4.187 -1.771 292 HA CYS 41 HA CYS 41 -5.203 3.855 -2.012 293 HB2 CYS 41 HB2 CYS 41 -6.863 2.018 -2.200 294 HB3 CYS 41 HB3 CYS 41 -7.439 2.699 -3.726 295 H HIS 42 H HIS 42 -4.006 5.226 -3.044 296 HA HIS 42 HA HIS 42 -4.958 7.275 -4.799 297 HB2 HIS 42 HB2 HIS 42 -3.192 7.628 -3.042 298 HB3 HIS 42 HB3 HIS 42 -2.092 6.616 -3.958 299 HD1 HIS 42 HD1 HIS 42 -0.368 8.227 -4.653 300 HD2 HIS 42 HD2 HIS 42 -4.191 9.679 -5.367 301 HE1 HIS 42 HE1 HIS 42 -0.043 10.353 -5.932 302 HE2 HIS 42 HE2 HIS 42 -2.361 11.276 -6.275 303 H ILE 43 H ILE 43 -4.315 4.129 -5.548 304 HA ILE 43 HA ILE 43 -3.549 4.760 -8.333 305 HB ILE 43 HB ILE 43 -3.095 2.115 -6.860 306 HG12 ILE 43 HG12 ILE 43 -1.082 4.224 -7.808 307 HG13 ILE 43 HG13 ILE 43 -1.514 3.895 -6.135 308 HG21 ILE 43 HG21 ILE 43 -3.597 1.771 -9.253 309 HG22 ILE 43 HG22 ILE 43 -1.911 1.390 -8.916 310 HG23 ILE 43 HG23 ILE 43 -2.331 2.914 -9.704 311 HD11 ILE 43 HD11 ILE 43 0.621 2.933 -6.693 312 HD12 ILE 43 HD12 ILE 43 -0.104 2.005 -8.004 313 HD13 ILE 43 HD13 ILE 43 -0.546 1.662 -6.327 314 H CYS 44 H CYS 44 -5.878 3.160 -6.197 315 HA CYS 44 HA CYS 44 -7.328 1.870 -8.380 316 HB2 CYS 44 HB2 CYS 44 -7.962 2.072 -5.407 317 HB3 CYS 44 HB3 CYS 44 -8.982 1.222 -6.582 318 H ASN 45 H ASN 45 -7.355 4.913 -6.749 319 HA ASN 45 HA ASN 45 -8.512 6.833 -7.011 320 HB2 ASN 45 HB2 ASN 45 -8.847 6.405 -9.393 321 HB3 ASN 45 HB3 ASN 45 -10.189 5.327 -9.059 322 HD21 ASN 45 HD21 ASN 45 -9.140 8.644 -9.127 323 HD22 ASN 45 HD22 ASN 45 -10.719 9.344 -9.127 324 H ARG 46 H ARG 46 -10.566 3.948 -6.675 325 HA ARG 46 HA ARG 46 -12.221 5.288 -4.643 326 HB2 ARG 46 HB2 ARG 46 -12.598 2.659 -6.121 327 HB3 ARG 46 HB3 ARG 46 -13.687 3.280 -4.884 328 HG2 ARG 46 HG2 ARG 46 -14.174 5.244 -6.305 329 HG3 ARG 46 HG3 ARG 46 -13.116 4.593 -7.561 330 HD2 ARG 46 HD2 ARG 46 -14.587 2.625 -7.780 331 HD3 ARG 46 HD3 ARG 46 -15.614 3.245 -6.484 332 HE ARG 46 HE ARG 46 -15.789 5.274 -8.144 333 HH11 ARG 46 HH11 ARG 46 -15.881 1.860 -8.968 334 HH12 ARG 46 HH12 ARG 46 -16.888 2.105 -10.358 335 HH21 ARG 46 HH21 ARG 46 -17.128 5.578 -9.940 336 HH22 ARG 46 HH22 ARG 46 -17.601 4.226 -10.914 337 H GLY 47 H GLY 47 -12.771 3.976 -2.744 338 HA2 GLY 47 HA2 GLY 47 -10.538 3.060 -1.278 339 HA3 GLY 47 HA3 GLY 47 -12.223 2.868 -0.814 340 H ASP 48 H ASP 48 -13.189 1.275 -2.847 341 HA ASP 48 HA ASP 48 -13.417 -0.761 -3.717 342 HB2 ASP 48 HB2 ASP 48 -11.343 -0.095 -4.947 343 HB3 ASP 48 HB3 ASP 48 -10.370 -0.848 -3.694 344 H VAL 49 H VAL 49 -10.485 -1.850 -2.026 345 HA VAL 49 HA VAL 49 -12.158 -3.378 -0.101 346 HB VAL 49 HB VAL 49 -9.413 -4.148 -1.219 347 HG11 VAL 49 HG11 VAL 49 -11.127 -5.619 0.827 348 HG12 VAL 49 HG12 VAL 49 -9.574 -4.836 1.122 349 HG13 VAL 49 HG13 VAL 49 -9.656 -6.254 0.079 350 HG21 VAL 49 HG21 VAL 49 -11.232 -4.508 -2.832 351 HG22 VAL 49 HG22 VAL 49 -12.138 -5.446 -1.644 352 HG23 VAL 49 HG23 VAL 49 -10.599 -6.052 -2.263 353 H GLU 50 H GLU 50 -12.192 -2.049 1.612 354 HA GLU 50 HA GLU 50 -10.043 -0.422 2.536 355 HB2 GLU 50 HB2 GLU 50 -11.468 -0.049 4.534 356 HB3 GLU 50 HB3 GLU 50 -12.361 0.158 3.034 357 HG2 GLU 50 HG2 GLU 50 -13.380 -2.073 3.309 358 HG3 GLU 50 HG3 GLU 50 -12.455 -2.330 4.782 359 H GLU 51 H GLU 51 -10.916 -3.719 3.115 360 HA GLU 51 HA GLU 51 -9.611 -4.263 5.548 361 HB2 GLU 51 HB2 GLU 51 -10.129 -6.146 3.215 362 HB3 GLU 51 HB3 GLU 51 -9.808 -6.630 4.879 363 HG2 GLU 51 HG2 GLU 51 -11.915 -5.750 5.630 364 HG3 GLU 51 HG3 GLU 51 -12.201 -4.956 4.083 365 H SER 52 H SER 52 -8.365 -4.073 2.278 366 HA SER 52 HA SER 52 -5.658 -4.896 3.184 367 HB2 SER 52 HB2 SER 52 -6.795 -4.824 0.357 368 HB3 SER 52 HB3 SER 52 -5.193 -5.408 0.816 369 HG SER 52 HG SER 52 -6.761 -6.772 2.334 370 H MET 53 H MET 53 -7.243 -2.188 3.121 371 HA MET 53 HA MET 53 -5.567 -0.486 1.484 372 HB2 MET 53 HB2 MET 53 -7.952 0.040 1.817 373 HB3 MET 53 HB3 MET 53 -7.698 0.195 3.548 374 HG2 MET 53 HG2 MET 53 -6.224 2.133 3.160 375 HG3 MET 53 HG3 MET 53 -6.494 1.989 1.421 376 HE1 MET 53 HE1 MET 53 -8.921 2.264 0.294 377 HE2 MET 53 HE2 MET 53 -10.369 2.688 1.206 378 HE3 MET 53 HE3 MET 53 -9.616 1.111 1.433 379 H LEU 54 H LEU 54 -3.580 -0.266 2.123 380 HA LEU 54 HA LEU 54 -2.655 -0.148 4.878 381 HB2 LEU 54 HB2 LEU 54 -1.121 0.246 2.274 382 HB3 LEU 54 HB3 LEU 54 -0.425 -0.049 3.862 383 HG LEU 54 HG LEU 54 -2.108 -2.039 2.305 384 HD11 LEU 54 HD11 LEU 54 0.016 -3.256 1.945 385 HD12 LEU 54 HD12 LEU 54 0.902 -1.910 2.664 386 HD13 LEU 54 HD13 LEU 54 0.001 -1.678 1.164 387 HD21 LEU 54 HD21 LEU 54 -0.563 -2.386 4.897 388 HD22 LEU 54 HD22 LEU 54 -1.357 -3.680 3.995 389 HD23 LEU 54 HD23 LEU 54 -2.321 -2.393 4.710 390 H LEU 55 H LEU 55 -1.899 1.705 5.872 391 HA LEU 55 HA LEU 55 -2.262 4.309 4.478 392 HB2 LEU 55 HB2 LEU 55 -3.942 3.844 6.292 393 HB3 LEU 55 HB3 LEU 55 -2.644 3.712 7.453 394 HG LEU 55 HG LEU 55 -4.076 5.931 7.348 395 HD11 LEU 55 HD11 LEU 55 -2.169 7.334 8.060 396 HD12 LEU 55 HD12 LEU 55 -1.048 6.110 7.456 397 HD13 LEU 55 HD13 LEU 55 -2.116 5.732 8.805 398 HD21 LEU 55 HD21 LEU 55 -3.202 7.664 5.836 399 HD22 LEU 55 HD22 LEU 55 -3.873 6.306 4.937 400 HD23 LEU 55 HD23 LEU 55 -2.124 6.478 5.093 401 H CYS 56 H CYS 56 -0.389 5.378 4.120 402 HA CYS 56 HA CYS 56 2.108 4.597 5.323 403 HB2 CYS 56 HB2 CYS 56 2.012 5.521 3.036 404 HB3 CYS 56 HB3 CYS 56 1.341 7.036 3.650 405 H ASP 57 H ASP 57 2.520 5.108 7.414 406 HA ASP 57 HA ASP 57 1.344 7.008 9.073 407 HB2 ASP 57 HB2 ASP 57 4.160 5.846 9.186 408 HB3 ASP 57 HB3 ASP 57 3.451 6.779 10.489 409 H GLY 58 H GLY 58 4.215 7.345 7.021 410 HA2 GLY 58 HA2 GLY 58 4.495 10.204 7.684 411 HA3 GLY 58 HA3 GLY 58 5.682 9.201 6.867 412 H CYS 59 H CYS 59 2.221 9.544 6.065 413 HA CYS 59 HA CYS 59 2.650 11.532 4.051 414 HB2 CYS 59 HB2 CYS 59 1.974 8.693 3.176 415 HB3 CYS 59 HB3 CYS 59 1.756 10.110 2.119 416 H ASP 60 H ASP 60 0.489 11.591 2.616 417 HA ASP 60 HA ASP 60 -1.901 11.435 4.335 418 HB2 ASP 60 HB2 ASP 60 -1.498 13.615 3.337 419 HB3 ASP 60 HB3 ASP 60 -1.194 12.912 1.760 420 H ASP 61 H ASP 61 -0.269 10.008 1.719 421 HA ASP 61 HA ASP 61 -2.386 8.990 0.134 422 HB2 ASP 61 HB2 ASP 61 0.541 8.137 0.310 423 HB3 ASP 61 HB3 ASP 61 -0.585 7.613 -0.939 424 H SER 62 H SER 62 -3.198 6.974 -0.003 425 HA SER 62 HA SER 62 -2.320 4.820 1.824 426 HB2 SER 62 HB2 SER 62 -5.222 5.447 1.060 427 HB3 SER 62 HB3 SER 62 -4.684 4.116 2.089 428 HG SER 62 HG SER 62 -3.682 6.394 3.031 429 H TYR 63 H TYR 63 -2.345 2.773 0.840 430 HA TYR 63 HA TYR 63 -3.123 2.507 -2.002 431 HB2 TYR 63 HB2 TYR 63 -0.406 1.731 -0.821 432 HB3 TYR 63 HB3 TYR 63 -0.943 1.289 -2.441 433 HD1 TYR 63 HD2 TYR 63 -1.293 3.124 -4.147 434 HD2 TYR 63 HD1 TYR 63 0.580 3.914 -0.393 435 HE1 TYR 63 HE2 TYR 63 -0.405 5.231 -5.034 436 HE2 TYR 63 HE1 TYR 63 1.475 6.027 -1.294 437 HH TYR 63 HH TYR 63 1.993 7.041 -3.453 438 H HIS 64 H HIS 64 -3.495 0.254 -2.573 439 HA HIS 64 HA HIS 64 -3.975 -1.573 -0.332 440 HB2 HIS 64 HB2 HIS 64 -4.329 -2.069 -3.325 441 HB3 HIS 64 HB3 HIS 64 -4.804 -3.156 -2.037 442 HD2 HIS 64 HD2 HIS 64 -6.656 -1.818 -0.185 443 HE1 HIS 64 HE1 HIS 64 -8.660 -0.208 -3.551 444 HE2 HIS 64 HE2 HIS 64 -8.816 -0.727 -1.075 445 H THR 65 H THR 65 -3.069 -3.762 -0.457 446 HA THR 65 HA THR 65 -0.286 -3.977 -0.888 447 HB THR 65 HB THR 65 -0.892 -6.518 -0.800 448 HG1 THR 65 HG1 THR 65 -2.977 -7.023 -0.662 449 HG21 THR 65 HG21 THR 65 -0.144 -5.249 1.185 450 HG22 THR 65 HG22 THR 65 -1.382 -6.436 1.603 451 HG23 THR 65 HG23 THR 65 -1.806 -4.728 1.475 452 H PHE 66 H PHE 66 -3.109 -4.855 -2.853 453 HA PHE 66 HA PHE 66 -1.494 -5.778 -5.103 454 HB2 PHE 66 HB2 PHE 66 -3.797 -6.353 -6.059 455 HB3 PHE 66 HB3 PHE 66 -3.311 -7.227 -4.613 456 HD1 PHE 66 HD2 PHE 66 -5.534 -4.471 -5.854 457 HD2 PHE 66 HD1 PHE 66 -4.619 -7.063 -2.572 458 HE1 PHE 66 HE2 PHE 66 -7.611 -3.789 -4.719 459 HE2 PHE 66 HE1 PHE 66 -6.697 -6.368 -1.451 460 HZ PHE 66 HZ PHE 66 -8.192 -4.730 -2.520 461 H CYS 67 H CYS 67 -1.189 -3.026 -4.612 462 HA CYS 67 HA CYS 67 -2.370 -1.837 -7.059 463 HB2 CYS 67 HB2 CYS 67 -1.921 -0.501 -4.364 464 HB3 CYS 67 HB3 CYS 67 -2.266 0.388 -5.845 465 H LEU 68 H LEU 68 0.229 -1.502 -4.667 466 HA LEU 68 HA LEU 68 2.070 -0.059 -6.218 467 HB2 LEU 68 HB2 LEU 68 2.551 -2.014 -3.941 468 HB3 LEU 68 HB3 LEU 68 3.756 -0.897 -4.565 469 HG LEU 68 HG LEU 68 1.153 -0.097 -3.197 470 HD11 LEU 68 HD11 LEU 68 4.014 0.022 -2.192 471 HD12 LEU 68 HD12 LEU 68 2.760 -1.095 -1.645 472 HD13 LEU 68 HD13 LEU 68 2.591 0.631 -1.343 473 HD21 LEU 68 HD21 LEU 68 1.802 1.573 -4.875 474 HD22 LEU 68 HD22 LEU 68 3.426 1.668 -4.189 475 HD23 LEU 68 HD23 LEU 68 2.034 2.206 -3.246 476 H LEU 69 H LEU 69 3.973 -0.732 -7.331 477 HA LEU 69 HA LEU 69 4.006 -3.527 -8.309 478 HB2 LEU 69 HB2 LEU 69 5.043 -0.976 -9.619 479 HB3 LEU 69 HB3 LEU 69 5.385 -2.588 -10.220 480 HG LEU 69 HG LEU 69 2.859 -2.898 -10.515 481 HD11 LEU 69 HD11 LEU 69 1.438 -0.911 -10.709 482 HD12 LEU 69 HD12 LEU 69 2.754 0.107 -10.120 483 HD13 LEU 69 HD13 LEU 69 2.040 -1.112 -9.066 484 HD21 LEU 69 HD21 LEU 69 4.357 -2.493 -12.418 485 HD22 LEU 69 HD22 LEU 69 4.191 -0.750 -12.207 486 HD23 LEU 69 HD23 LEU 69 2.793 -1.722 -12.672 487 HA PRO 70 HA PRO 70 5.062 -5.322 -8.278 488 HB2 PRO 70 HB2 PRO 70 6.117 -7.258 -6.708 489 HB3 PRO 70 HB3 PRO 70 7.054 -6.541 -8.036 490 HG2 PRO 70 HG2 PRO 70 7.183 -5.943 -5.105 491 HG3 PRO 70 HG3 PRO 70 8.511 -6.183 -6.263 492 HD2 PRO 70 HD2 PRO 70 7.594 -3.695 -5.481 493 HD3 PRO 70 HD3 PRO 70 8.408 -4.006 -7.029 494 HA PRO 71 HA PRO 71 1.722 -5.147 -5.347 495 HB2 PRO 71 HB2 PRO 71 0.251 -7.353 -6.102 496 HB3 PRO 71 HB3 PRO 71 0.313 -5.858 -7.055 497 HG2 PRO 71 HG2 PRO 71 1.802 -8.422 -7.464 498 HG3 PRO 71 HG3 PRO 71 1.029 -7.358 -8.661 499 HD2 PRO 71 HD2 PRO 71 3.716 -7.329 -8.215 500 HD3 PRO 71 HD3 PRO 71 2.809 -5.886 -8.713 501 H LEU 72 H LEU 72 1.834 -5.591 -3.248 502 HA LEU 72 HA LEU 72 3.307 -7.719 -2.085 503 HB2 LEU 72 HB2 LEU 72 1.196 -5.978 -0.760 504 HB3 LEU 72 HB3 LEU 72 2.486 -6.851 0.052 505 HG LEU 72 HG LEU 72 2.856 -4.471 -1.815 506 HD11 LEU 72 HD11 LEU 72 1.811 -3.793 0.299 507 HD12 LEU 72 HD12 LEU 72 3.461 -3.182 0.194 508 HD13 LEU 72 HD13 LEU 72 3.102 -4.580 1.214 509 HD21 LEU 72 HD21 LEU 72 5.216 -4.488 -1.095 510 HD22 LEU 72 HD22 LEU 72 4.778 -5.967 -1.944 511 HD23 LEU 72 HD23 LEU 72 4.931 -5.972 -0.184 512 H THR 73 H THR 73 2.649 -9.759 -2.317 513 HA THR 73 HA THR 73 -0.135 -10.583 -2.421 514 HB THR 73 HB THR 73 0.949 -12.886 -2.725 515 HG1 THR 73 HG1 THR 73 3.002 -12.951 -2.174 516 HG21 THR 73 HG21 THR 73 1.812 -10.711 -4.677 517 HG22 THR 73 HG22 THR 73 0.263 -11.555 -4.694 518 HG23 THR 73 HG23 THR 73 1.750 -12.440 -5.023 519 H SER 74 H SER 74 1.789 -9.743 0.083 520 HA SER 74 HA SER 74 0.142 -11.275 1.972 521 HB2 SER 74 HB2 SER 74 3.150 -10.829 2.235 522 HB3 SER 74 HB3 SER 74 2.118 -11.536 3.478 523 HG SER 74 HG SER 74 1.612 -12.984 1.410 524 H ILE 75 H ILE 75 -0.561 -10.065 3.701 525 HA ILE 75 HA ILE 75 -0.520 -7.199 3.487 526 HB ILE 75 HB ILE 75 -1.604 -8.917 5.778 527 HG12 ILE 75 HG12 ILE 75 -2.626 -9.565 3.580 528 HG13 ILE 75 HG13 ILE 75 -3.799 -8.875 4.690 529 HG21 ILE 75 HG21 ILE 75 -2.267 -6.059 4.986 530 HG22 ILE 75 HG22 ILE 75 -1.365 -6.570 6.414 531 HG23 ILE 75 HG23 ILE 75 -3.074 -6.977 6.261 532 HD11 ILE 75 HD11 ILE 75 -2.542 -7.479 2.325 533 HD12 ILE 75 HD12 ILE 75 -3.692 -6.745 3.443 534 HD13 ILE 75 HD13 ILE 75 -4.189 -8.098 2.426 535 HA PRO 76 HA PRO 76 3.211 -6.779 6.171 536 HB2 PRO 76 HB2 PRO 76 3.274 -4.005 6.134 537 HB3 PRO 76 HB3 PRO 76 3.960 -5.018 4.849 538 HG2 PRO 76 HG2 PRO 76 1.319 -3.614 4.937 539 HG3 PRO 76 HG3 PRO 76 2.476 -3.762 3.596 540 HD2 PRO 76 HD2 PRO 76 0.254 -5.300 3.722 541 HD3 PRO 76 HD3 PRO 76 1.778 -5.909 3.044 542 H LYS 77 H LYS 77 2.747 -7.303 8.191 543 HA LYS 77 HA LYS 77 0.494 -6.085 9.631 544 HB2 LYS 77 HB2 LYS 77 2.169 -8.542 10.285 545 HB3 LYS 77 HB3 LYS 77 0.763 -7.988 11.196 546 HG2 LYS 77 HG2 LYS 77 -0.653 -8.312 9.191 547 HG3 LYS 77 HG3 LYS 77 0.752 -8.906 8.306 548 HD2 LYS 77 HD2 LYS 77 0.935 -10.800 9.905 549 HD3 LYS 77 HD3 LYS 77 -0.496 -10.198 10.757 550 HE2 LYS 77 HE2 LYS 77 -1.830 -10.470 8.691 551 HE3 LYS 77 HE3 LYS 77 -0.407 -11.105 7.859 552 HZ1 LYS 77 HZ1 LYS 77 -1.776 -12.327 10.196 553 HZ2 LYS 77 HZ2 LYS 77 -0.371 -12.937 9.473 554 HZ3 LYS 77 HZ3 LYS 77 -1.819 -12.884 8.599 555 H GLY 78 H GLY 78 0.946 -4.353 10.752 556 HA2 GLY 78 HA2 GLY 78 2.268 -3.651 12.852 557 HA3 GLY 78 HA3 GLY 78 3.662 -3.829 11.787 558 H GLU 79 H GLU 79 4.289 -1.710 11.593 559 HA GLU 79 HA GLU 79 2.339 0.249 10.533 560 HB2 GLU 79 HB2 GLU 79 5.160 0.658 11.612 561 HB3 GLU 79 HB3 GLU 79 4.157 1.933 10.930 562 HG2 GLU 79 HG2 GLU 79 4.062 2.117 13.304 563 HG3 GLU 79 HG3 GLU 79 2.494 1.549 12.749 564 H TRP 80 H TRP 80 2.355 0.709 8.426 565 HA TRP 80 HA TRP 80 4.560 -0.289 6.724 566 HB2 TRP 80 HB2 TRP 80 2.450 -1.381 6.194 567 HB3 TRP 80 HB3 TRP 80 1.600 0.159 6.145 568 HD1 TRP 80 HD1 TRP 80 4.056 -1.956 4.036 569 HE1 TRP 80 HE1 TRP 80 3.977 -1.090 1.616 570 HE3 TRP 80 HE3 TRP 80 1.120 2.157 4.747 571 HZ2 TRP 80 HZ2 TRP 80 2.821 1.058 0.202 572 HZ3 TRP 80 HZ3 TRP 80 0.573 3.578 2.800 573 HH2 TRP 80 HH2 TRP 80 1.411 3.031 0.574 574 H LEU 81 H LEU 81 5.673 1.148 5.576 575 HA LEU 81 HA LEU 81 4.776 3.969 5.378 576 HB2 LEU 81 HB2 LEU 81 7.580 2.781 5.339 577 HB3 LEU 81 HB3 LEU 81 7.221 4.473 5.039 578 HG LEU 81 HG LEU 81 6.728 3.007 7.663 579 HD11 LEU 81 HD11 LEU 81 8.840 5.093 6.999 580 HD12 LEU 81 HD12 LEU 81 9.131 3.369 7.242 581 HD13 LEU 81 HD13 LEU 81 8.562 4.361 8.583 582 HD21 LEU 81 HD21 LEU 81 5.053 4.771 7.307 583 HD22 LEU 81 HD22 LEU 81 6.330 5.949 6.999 584 HD23 LEU 81 HD23 LEU 81 6.166 5.221 8.598 585 H CYS 82 H CYS 82 4.748 4.921 3.399 586 HA CYS 82 HA CYS 82 4.562 3.418 1.022 587 HB2 CYS 82 HB2 CYS 82 4.430 5.631 -0.109 588 HB3 CYS 82 HB3 CYS 82 3.404 5.577 1.315 589 HA PRO 83 HA PRO 83 8.787 3.087 -0.618 590 HB2 PRO 83 HB2 PRO 83 7.537 4.281 -3.108 591 HB3 PRO 83 HB3 PRO 83 8.609 2.869 -2.955 592 HG2 PRO 83 HG2 PRO 83 6.034 2.492 -3.313 593 HG3 PRO 83 HG3 PRO 83 6.899 1.497 -2.115 594 HD2 PRO 83 HD2 PRO 83 5.066 3.836 -1.662 595 HD3 PRO 83 HD3 PRO 83 5.230 2.334 -0.726 596 H ARG 84 H ARG 84 6.986 6.122 -0.904 597 HA ARG 84 HA ARG 84 9.168 7.854 -1.538 598 HB2 ARG 84 HB2 ARG 84 6.780 8.469 -1.902 599 HB3 ARG 84 HB3 ARG 84 6.515 8.491 -0.160 600 HG2 ARG 84 HG2 ARG 84 8.105 10.363 0.057 601 HG3 ARG 84 HG3 ARG 84 8.374 10.339 -1.688 602 HD2 ARG 84 HD2 ARG 84 6.022 10.932 -2.073 603 HD3 ARG 84 HD3 ARG 84 5.713 10.899 -0.333 604 HE ARG 84 HE ARG 84 7.819 12.716 -1.066 605 HH11 ARG 84 HH11 ARG 84 4.310 12.458 -0.780 606 HH12 ARG 84 HH12 ARG 84 4.079 14.168 -0.621 607 HH21 ARG 84 HH21 ARG 84 7.491 14.951 -0.876 608 HH22 ARG 84 HH22 ARG 84 5.887 15.585 -0.673 609 H CYS 85 H CYS 85 7.691 6.786 1.529 610 HA CYS 85 HA CYS 85 9.280 8.414 3.272 611 HB2 CYS 85 HB2 CYS 85 7.751 5.862 3.883 612 HB3 CYS 85 HB3 CYS 85 8.436 6.943 5.087 613 H VAL 86 H VAL 86 9.725 5.288 1.830 614 HA VAL 86 HA VAL 86 11.956 4.336 3.260 615 HB VAL 86 HB VAL 86 11.260 3.863 0.315 616 HG11 VAL 86 HG11 VAL 86 13.187 2.258 2.061 617 HG12 VAL 86 HG12 VAL 86 13.630 3.286 0.701 618 HG13 VAL 86 HG13 VAL 86 12.684 1.826 0.425 619 HG21 VAL 86 HG21 VAL 86 9.471 3.178 1.850 620 HG22 VAL 86 HG22 VAL 86 10.609 2.186 2.767 621 HG23 VAL 86 HG23 VAL 86 10.219 1.770 1.095 622 H VAL 87 H VAL 87 11.723 6.556 0.488 623 HA VAL 87 HA VAL 87 14.509 6.931 0.017 624 HB VAL 87 HB VAL 87 12.214 8.866 -0.574 625 HG11 VAL 87 HG11 VAL 87 13.671 9.822 -2.328 626 HG12 VAL 87 HG12 VAL 87 14.987 8.759 -1.818 627 HG13 VAL 87 HG13 VAL 87 14.379 9.996 -0.719 628 HG21 VAL 87 HG21 VAL 87 13.365 6.681 -2.355 629 HG22 VAL 87 HG22 VAL 87 12.137 7.858 -2.830 630 HG23 VAL 87 HG23 VAL 87 11.779 6.674 -1.575 631 H GLU 88 H GLU 88 12.178 8.503 2.141 632 HA GLU 88 HA GLU 88 13.793 10.689 2.995 633 HB2 GLU 88 HB2 GLU 88 11.147 10.205 3.091 634 HB3 GLU 88 HB3 GLU 88 11.535 9.592 4.687 635 HG2 GLU 88 HG2 GLU 88 12.067 12.403 3.682 636 HG3 GLU 88 HG3 GLU 88 10.742 11.909 4.719 637 H GLU 89 H GLU 89 13.519 7.366 3.904 638 HA GLU 89 HA GLU 89 14.309 5.986 5.517 639 HB2 GLU 89 HB2 GLU 89 16.130 8.294 6.365 640 HB3 GLU 89 HB3 GLU 89 16.272 6.632 6.917 641 HG2 GLU 89 HG2 GLU 89 16.663 7.585 4.073 642 HG3 GLU 89 HG3 GLU 89 17.954 7.217 5.210 643 H VAL 90 H VAL 90 14.785 6.204 8.193 644 HA VAL 90 HA VAL 90 12.438 7.591 9.310 645 HB VAL 90 HB VAL 90 14.277 5.511 10.607 646 HG11 VAL 90 HG11 VAL 90 13.289 7.027 12.266 647 HG12 VAL 90 HG12 VAL 90 12.583 5.418 12.411 648 HG13 VAL 90 HG13 VAL 90 11.673 6.711 11.626 649 HG21 VAL 90 HG21 VAL 90 11.465 5.164 9.480 650 HG22 VAL 90 HG22 VAL 90 12.382 3.930 10.347 651 HG23 VAL 90 HG23 VAL 90 12.952 4.515 8.785 652 H SER 91 H SER 91 13.394 9.699 9.103 653 HA SER 91 HA SER 91 15.814 10.415 10.509 654 HB2 SER 91 HB2 SER 91 13.622 12.183 9.330 655 HB3 SER 91 HB3 SER 91 15.207 12.738 9.873 656 HG SER 91 HG SER 91 14.489 11.583 7.510 657 H LYS 92 H LYS 92 15.267 9.462 12.517 658 HA LYS 92 HA LYS 92 13.943 11.086 14.475 659 HB2 LYS 92 HB2 LYS 92 11.955 10.025 13.389 660 HB3 LYS 92 HB3 LYS 92 12.651 8.433 13.661 661 HG2 LYS 92 HG2 LYS 92 12.542 8.912 16.145 662 HG3 LYS 92 HG3 LYS 92 11.628 10.371 15.759 663 HD2 LYS 92 HD2 LYS 92 10.812 7.500 15.155 664 HD3 LYS 92 HD3 LYS 92 10.105 8.555 16.379 665 HE2 LYS 92 HE2 LYS 92 9.964 8.940 13.376 666 HE3 LYS 92 HE3 LYS 92 8.651 8.412 14.421 667 HZ1 LYS 92 HZ1 LYS 92 9.963 11.077 14.447 668 HZ2 LYS 92 HZ2 LYS 92 8.781 10.580 15.542 669 HZ3 LYS 92 HZ3 LYS 92 8.402 10.723 13.906 670 HA PRO 93 HA PRO 93 16.779 8.356 16.865 671 HB2 PRO 93 HB2 PRO 93 15.625 9.593 19.314 672 HB3 PRO 93 HB3 PRO 93 17.287 9.673 18.698 673 HG2 PRO 93 HG2 PRO 93 15.655 11.831 18.665 674 HG3 PRO 93 HG3 PRO 93 16.884 11.549 17.409 675 HD2 PRO 93 HD2 PRO 93 13.920 11.003 17.307 676 HD3 PRO 93 HD3 PRO 93 14.972 11.751 16.081 677 H GLN 94 H GLN 94 15.289 6.690 16.004 678 HA GLN 94 HA GLN 94 13.220 5.737 17.873 679 HB2 GLN 94 HB2 GLN 94 12.521 6.077 15.526 680 HB3 GLN 94 HB3 GLN 94 13.776 4.977 14.970 681 HG2 GLN 94 HG2 GLN 94 12.680 3.105 16.096 682 HG3 GLN 94 HG3 GLN 94 11.457 4.182 16.764 683 HE21 GLN 94 HE21 GLN 94 11.130 5.720 14.313 684 HE22 GLN 94 HE22 GLN 94 10.285 4.709 13.203 Start of MODEL 9 1 H1 SER 1 H1 SER 1-106.884 3.337 2.059 2 H2 SER 1 H2 SER 1-105.874 2.519 3.135 3 H3 SER 1 H3 SER 1-105.278 3.817 2.239 4 HA SER 1 HA SER 1-106.674 5.347 3.357 5 HB2 SER 1 HB2 SER 1-108.590 3.820 3.748 6 HB3 SER 1 HB3 SER 1-107.643 2.924 4.934 7 HG SER 1 HG SER 1-108.839 5.448 5.132 8 H HIS 2 H HIS 2-105.309 6.476 4.583 9 HA HIS 2 HA HIS 2-103.633 5.146 6.635 10 HB2 HIS 2 HB2 HIS 2-102.970 7.643 5.000 11 HB3 HIS 2 HB3 HIS 2-101.973 6.975 6.291 12 HD2 HIS 2 HD2 HIS 2-102.683 6.463 2.536 13 HE1 HIS 2 HE1 HIS 2 -99.838 3.589 3.758 14 HE2 HIS 2 HE2 HIS 2-100.872 4.776 1.776 15 H MET 3 H MET 3-104.489 5.586 8.561 16 HA MET 3 HA MET 3-106.223 7.782 9.157 17 HB2 MET 3 HB2 MET 3-106.100 6.984 11.503 18 HB3 MET 3 HB3 MET 3-106.421 5.664 10.389 19 HG2 MET 3 HG2 MET 3-104.182 4.829 10.602 20 HG3 MET 3 HG3 MET 3-103.660 6.269 11.478 21 HE1 MET 3 HE1 MET 3-104.211 6.782 13.981 22 HE2 MET 3 HE2 MET 3-105.349 5.850 14.952 23 HE3 MET 3 HE3 MET 3-105.935 6.810 13.596 24 H SER 4 H SER 4-105.764 9.305 11.019 25 HA SER 4 HA SER 4-103.396 10.849 10.621 26 HB2 SER 4 HB2 SER 4-105.593 11.817 11.367 27 HB3 SER 4 HB3 SER 4-105.410 11.003 12.924 28 HG SER 4 HG SER 4-104.347 12.724 13.474 29 H GLY 5 H GLY 5-101.444 10.103 11.262 30 HA2 GLY 5 HA2 GLY 5 -99.832 9.570 12.961 31 HA3 GLY 5 HA3 GLY 5-101.078 8.736 13.883 32 H GLY 6 H GLY 6-101.948 7.644 11.089 33 HA2 GLY 6 HA2 GLY 6-100.668 5.096 11.256 34 HA3 GLY 6 HA3 GLY 6-101.792 5.633 10.021 35 H SER 7 H SER 7 -98.756 4.580 10.500 36 HA SER 7 HA SER 7 -97.763 5.249 7.900 37 HB2 SER 7 HB2 SER 7 -97.216 7.380 9.058 38 HB3 SER 7 HB3 SER 7 -96.373 6.500 10.330 39 HG SER 7 HG SER 7 -94.957 5.725 8.593 40 HA PRO 8 HA PRO 8 -95.361 1.479 8.972 41 HB2 PRO 8 HB2 PRO 8 -93.213 1.786 7.229 42 HB3 PRO 8 HB3 PRO 8 -94.794 1.146 6.729 43 HG2 PRO 8 HG2 PRO 8 -93.724 3.943 6.441 44 HG3 PRO 8 HG3 PRO 8 -94.617 2.959 5.258 45 HD2 PRO 8 HD2 PRO 8 -95.861 4.883 6.683 46 HD3 PRO 8 HD3 PRO 8 -96.692 3.361 6.281 47 H LEU 9 H LEU 9 -94.090 1.309 10.730 48 HA LEU 9 HA LEU 9 -92.977 3.629 11.979 49 HB2 LEU 9 HB2 LEU 9 -93.007 0.694 12.803 50 HB3 LEU 9 HB3 LEU 9 -92.281 1.958 13.782 51 HG LEU 9 HG LEU 9 -94.561 3.068 13.944 52 HD11 LEU 9 HD11 LEU 9 -96.585 1.782 13.426 53 HD12 LEU 9 HD12 LEU 9 -95.599 0.520 12.680 54 HD13 LEU 9 HD13 LEU 9 -95.651 2.136 11.971 55 HD21 LEU 9 HD21 LEU 9 -95.466 1.523 15.623 56 HD22 LEU 9 HD22 LEU 9 -93.718 1.692 15.776 57 HD23 LEU 9 HD23 LEU 9 -94.400 0.244 15.029 58 H ALA 10 H ALA 10 -91.314 4.376 10.776 59 HA ALA 10 HA ALA 10 -89.274 2.763 9.586 60 HB1 ALA 10 HB1 ALA 10 -88.329 4.888 8.798 61 HB2 ALA 10 HB2 ALA 10 -89.418 5.787 9.857 62 HB3 ALA 10 HB3 ALA 10 -90.074 4.837 8.522 63 H THR 11 H THR 11 -88.504 1.672 11.472 64 HA THR 11 HA THR 11 -86.827 3.062 13.393 65 HB THR 11 HB THR 11 -86.222 0.620 14.041 66 HG1 THR 11 HG1 THR 11 -87.540 -0.993 13.154 67 HG21 THR 11 HG21 THR 11 -89.162 1.400 14.125 68 HG22 THR 11 HG22 THR 11 -87.932 1.892 15.294 69 HG23 THR 11 HG23 THR 11 -88.385 0.190 15.156 70 H GLY 12 H GLY 12 -85.454 4.134 11.851 71 HA2 GLY 12 HA2 GLY 12 -83.393 2.402 10.559 72 HA3 GLY 12 HA3 GLY 12 -84.032 3.868 9.821 73 H THR 13 H THR 13 -81.397 2.758 11.280 74 HA THR 13 HA THR 13 -80.657 5.390 12.447 75 HB THR 13 HB THR 13 -78.836 4.127 13.684 76 HG1 THR 13 HG1 THR 13 -78.572 2.223 12.708 77 HG21 THR 13 HG21 THR 13 -80.285 3.154 15.431 78 HG22 THR 13 HG22 THR 13 -81.658 3.186 14.323 79 HG23 THR 13 HG23 THR 13 -80.934 4.701 14.873 80 H THR 14 H THR 14 -78.420 6.011 12.039 81 HA THR 14 HA THR 14 -77.272 5.011 9.497 82 HB THR 14 HB THR 14 -78.541 7.097 9.052 83 HG1 THR 14 HG1 THR 14 -77.000 7.586 7.714 84 HG21 THR 14 HG21 THR 14 -77.861 9.253 10.027 85 HG22 THR 14 HG22 THR 14 -76.687 8.436 11.057 86 HG23 THR 14 HG23 THR 14 -78.413 8.151 11.292 87 H ALA 15 H ALA 15 -74.972 5.663 9.241 88 HA ALA 15 HA ALA 15 -73.393 6.486 11.490 89 HB1 ALA 15 HB1 ALA 15 -72.164 4.380 11.867 90 HB2 ALA 15 HB2 ALA 15 -73.213 3.543 10.721 91 HB3 ALA 15 HB3 ALA 15 -73.881 4.169 12.228 92 H ASN 16 H ASN 16 -72.774 7.960 9.810 93 HA ASN 16 HA ASN 16 -71.182 7.033 7.574 94 HB2 ASN 16 HB2 ASN 16 -72.460 9.156 7.400 95 HB3 ASN 16 HB3 ASN 16 -71.502 9.850 8.700 96 HD21 ASN 16 HD21 ASN 16 -69.303 10.416 8.280 97 HD22 ASN 16 HD22 ASN 16 -68.712 10.599 6.666 98 H THR 17 H THR 17 -69.731 5.698 8.781 99 HA THR 17 HA THR 17 -67.629 7.025 10.339 100 HB THR 17 HB THR 17 -66.667 4.638 10.463 101 HG1 THR 17 HG1 THR 17 -67.620 3.143 9.330 102 HG21 THR 17 HG21 THR 17 -69.481 5.027 11.552 103 HG22 THR 17 HG22 THR 17 -67.999 5.605 12.324 104 HG23 THR 17 HG23 THR 17 -68.286 3.872 12.148 105 H ARG 18 H ARG 18 -66.908 8.381 8.690 106 HA ARG 18 HA ARG 18 -65.354 7.166 6.484 107 HB2 ARG 18 HB2 ARG 18 -67.008 8.850 5.774 108 HB3 ARG 18 HB3 ARG 18 -66.348 10.018 6.912 109 HG2 ARG 18 HG2 ARG 18 -64.232 10.087 5.632 110 HG3 ARG 18 HG3 ARG 18 -64.877 8.895 4.500 111 HD2 ARG 18 HD2 ARG 18 -66.608 10.458 3.781 112 HD3 ARG 18 HD3 ARG 18 -66.090 11.640 4.991 113 HE ARG 18 HE ARG 18 -63.842 11.243 3.540 114 HH11 ARG 18 HH11 ARG 18 -67.122 12.087 2.585 115 HH12 ARG 18 HH12 ARG 18 -66.614 12.989 1.191 116 HH21 ARG 18 HH21 ARG 18 -63.191 12.443 1.723 117 HH22 ARG 18 HH22 ARG 18 -64.383 13.187 0.704 118 H GLY 19 H GLY 19 -63.512 6.565 7.536 119 HA2 GLY 19 HA2 GLY 19 -61.610 8.653 8.261 120 HA3 GLY 19 HA3 GLY 19 -62.066 7.564 9.571 121 H ALA 20 H ALA 20 -61.556 6.982 6.118 122 HA ALA 20 HA ALA 20 -60.154 4.517 6.563 123 HB1 ALA 20 HB1 ALA 20 -60.588 6.059 3.982 124 HB2 ALA 20 HB2 ALA 20 -61.685 4.848 4.649 125 HB3 ALA 20 HB3 ALA 20 -60.071 4.377 4.118 126 H SER 21 H SER 21 -59.090 7.738 6.587 127 HA SER 21 HA SER 21 -56.682 7.713 5.143 128 HB2 SER 21 HB2 SER 21 -56.128 9.732 6.627 129 HB3 SER 21 HB3 SER 21 -57.658 9.817 5.755 130 HG SER 21 HG SER 21 -57.430 8.902 8.431 131 H GLN 22 H GLN 22 -57.356 6.445 8.345 132 HA GLN 22 HA GLN 22 -54.663 6.381 9.329 133 HB2 GLN 22 HB2 GLN 22 -56.675 6.289 10.810 134 HB3 GLN 22 HB3 GLN 22 -57.054 4.694 10.167 135 HG2 GLN 22 HG2 GLN 22 -54.713 3.998 11.027 136 HG3 GLN 22 HG3 GLN 22 -54.738 5.500 11.945 137 HE21 GLN 22 HE21 GLN 22 -56.221 5.699 13.692 138 HE22 GLN 22 HE22 GLN 22 -57.000 4.314 14.369 139 H LYS 23 H LYS 23 -53.230 5.351 8.011 140 HA LYS 23 HA LYS 23 -53.451 2.420 7.812 141 HB2 LYS 23 HB2 LYS 23 -52.522 2.416 5.532 142 HB3 LYS 23 HB3 LYS 23 -54.045 3.298 5.572 143 HG2 LYS 23 HG2 LYS 23 -52.849 5.436 5.496 144 HG3 LYS 23 HG3 LYS 23 -51.297 4.592 5.568 145 HD2 LYS 23 HD2 LYS 23 -51.886 3.461 3.390 146 HD3 LYS 23 HD3 LYS 23 -53.331 4.475 3.308 147 HE2 LYS 23 HE2 LYS 23 -51.550 5.436 1.929 148 HE3 LYS 23 HE3 LYS 23 -51.893 6.495 3.297 149 HZ1 LYS 23 HZ1 LYS 23 -49.526 6.248 2.932 150 HZ2 LYS 23 HZ2 LYS 23 -49.630 4.576 3.125 151 HZ3 LYS 23 HZ3 LYS 23 -49.956 5.597 4.429 152 H LYS 24 H LYS 24 -52.189 4.180 9.688 153 HA LYS 24 HA LYS 24 -49.357 4.346 9.210 154 HB2 LYS 24 HB2 LYS 24 -50.609 5.954 10.694 155 HB3 LYS 24 HB3 LYS 24 -50.918 4.634 11.820 156 HG2 LYS 24 HG2 LYS 24 -48.352 4.390 11.970 157 HG3 LYS 24 HG3 LYS 24 -48.272 5.958 11.158 158 HD2 LYS 24 HD2 LYS 24 -49.567 6.981 13.019 159 HD3 LYS 24 HD3 LYS 24 -49.664 5.405 13.817 160 HE2 LYS 24 HE2 LYS 24 -47.146 5.385 13.912 161 HE3 LYS 24 HE3 LYS 24 -47.155 7.034 13.282 162 HZ1 LYS 24 HZ1 LYS 24 -48.440 7.689 15.244 163 HZ2 LYS 24 HZ2 LYS 24 -46.935 7.049 15.655 164 HZ3 LYS 24 HZ3 LYS 24 -48.329 6.114 15.852 165 H GLY 25 H GLY 25 -47.757 2.957 9.942 166 HA2 GLY 25 HA2 GLY 25 -47.387 1.317 11.953 167 HA3 GLY 25 HA3 GLY 25 -48.538 0.334 11.057 168 H GLY 26 H GLY 26 -46.004 2.415 9.761 169 HA2 GLY 26 HA2 GLY 26 -44.182 0.272 9.104 170 HA3 GLY 26 HA3 GLY 26 -45.088 0.872 7.713 171 H GLU 27 H GLU 27 -43.016 1.898 10.396 172 HA GLU 27 HA GLU 27 -42.464 4.523 9.381 173 HB2 GLU 27 HB2 GLU 27 -40.963 2.914 11.496 174 HB3 GLU 27 HB3 GLU 27 -40.821 4.651 11.230 175 HG2 GLU 27 HG2 GLU 27 -43.152 4.979 11.916 176 HG3 GLU 27 HG3 GLU 27 -43.369 3.239 12.098 177 HA PRO 28 HA PRO 28 -39.321 3.299 6.373 178 HB2 PRO 28 HB2 PRO 28 -38.119 5.749 5.938 179 HB3 PRO 28 HB3 PRO 28 -39.706 5.310 5.269 180 HG2 PRO 28 HG2 PRO 28 -39.085 6.950 7.714 181 HG3 PRO 28 HG3 PRO 28 -40.296 7.236 6.442 182 HD2 PRO 28 HD2 PRO 28 -40.978 6.158 8.842 183 HD3 PRO 28 HD3 PRO 28 -41.811 5.705 7.339 184 HA PRO 29 HA PRO 29 -35.896 2.506 9.319 185 HB2 PRO 29 HB2 PRO 29 -34.395 0.888 7.617 186 HB3 PRO 29 HB3 PRO 29 -35.786 0.307 8.560 187 HG2 PRO 29 HG2 PRO 29 -35.697 1.169 5.676 188 HG3 PRO 29 HG3 PRO 29 -36.501 -0.247 6.400 189 HD2 PRO 29 HD2 PRO 29 -37.910 1.957 5.777 190 HD3 PRO 29 HD3 PRO 29 -38.291 1.022 7.241 191 H ALA 30 H ALA 30 -35.220 4.694 9.309 192 HA ALA 30 HA ALA 30 -33.473 5.832 7.345 193 HB1 ALA 30 HB1 ALA 30 -34.840 7.237 8.845 194 HB2 ALA 30 HB2 ALA 30 -33.125 7.616 9.025 195 HB3 ALA 30 HB3 ALA 30 -33.950 6.637 10.246 196 H LEU 31 H LEU 31 -31.313 5.513 7.119 197 HA LEU 31 HA LEU 31 -29.602 4.832 9.351 198 HB2 LEU 31 HB2 LEU 31 -28.628 2.799 8.156 199 HB3 LEU 31 HB3 LEU 31 -30.205 2.599 8.884 200 HG LEU 31 HG LEU 31 -31.192 2.909 6.509 201 HD11 LEU 31 HD11 LEU 31 -28.332 2.383 5.651 202 HD12 LEU 31 HD12 LEU 31 -29.261 3.851 5.355 203 HD13 LEU 31 HD13 LEU 31 -29.749 2.340 4.595 204 HD21 LEU 31 HD21 LEU 31 -30.856 0.546 5.926 205 HD22 LEU 31 HD22 LEU 31 -31.140 0.741 7.654 206 HD23 LEU 31 HD23 LEU 31 -29.503 0.447 7.059 207 H ILE 32 H ILE 32 -27.357 4.901 8.835 208 HA ILE 32 HA ILE 32 -26.566 6.140 6.275 209 HB ILE 32 HB ILE 32 -24.859 7.535 7.597 210 HG12 ILE 32 HG12 ILE 32 -25.719 8.169 10.013 211 HG13 ILE 32 HG13 ILE 32 -26.572 6.633 9.966 212 HG21 ILE 32 HG21 ILE 32 -26.801 8.565 6.539 213 HG22 ILE 32 HG22 ILE 32 -26.469 9.362 8.079 214 HG23 ILE 32 HG23 ILE 32 -27.799 8.207 7.951 215 HD11 ILE 32 HD11 ILE 32 -24.485 6.491 11.200 216 HD12 ILE 32 HD12 ILE 32 -23.581 7.004 9.772 217 HD13 ILE 32 HD13 ILE 32 -24.441 5.463 9.772 218 H VAL 33 H VAL 33 -24.293 5.747 5.752 219 HA VAL 33 HA VAL 33 -22.992 3.542 7.259 220 HB VAL 33 HB VAL 33 -23.102 3.698 4.204 221 HG11 VAL 33 HG11 VAL 33 -22.006 1.463 4.256 222 HG12 VAL 33 HG12 VAL 33 -21.886 1.574 6.013 223 HG13 VAL 33 HG13 VAL 33 -20.997 2.710 4.995 224 HG21 VAL 33 HG21 VAL 33 -25.298 2.997 5.086 225 HG22 VAL 33 HG22 VAL 33 -24.521 1.718 6.025 226 HG23 VAL 33 HG23 VAL 33 -24.495 1.657 4.259 227 H ASP 34 H ASP 34 -21.337 4.624 8.120 228 HA ASP 34 HA ASP 34 -19.633 6.370 6.431 229 HB2 ASP 34 HB2 ASP 34 -20.521 6.802 9.321 230 HB3 ASP 34 HB3 ASP 34 -19.135 7.637 8.623 231 HA PRO 35 HA PRO 35 -16.332 3.680 8.183 232 HB2 PRO 35 HB2 PRO 35 -14.626 3.957 6.063 233 HB3 PRO 35 HB3 PRO 35 -15.950 2.768 6.052 234 HG2 PRO 35 HG2 PRO 35 -15.863 5.500 4.793 235 HG3 PRO 35 HG3 PRO 35 -16.441 3.961 4.108 236 HD2 PRO 35 HD2 PRO 35 -18.152 5.826 5.157 237 HD3 PRO 35 HD3 PRO 35 -18.496 4.083 5.201 238 H LEU 36 H LEU 36 -16.886 6.913 7.402 239 HA LEU 36 HA LEU 36 -16.251 8.856 8.309 240 HB2 LEU 36 HB2 LEU 36 -15.912 7.398 10.396 241 HB3 LEU 36 HB3 LEU 36 -14.206 7.395 10.016 242 HG LEU 36 HG LEU 36 -15.774 9.960 10.581 243 HD11 LEU 36 HD11 LEU 36 -15.902 8.525 12.551 244 HD12 LEU 36 HD12 LEU 36 -14.880 9.924 12.865 245 HD13 LEU 36 HD13 LEU 36 -14.145 8.344 12.564 246 HD21 LEU 36 HD21 LEU 36 -13.663 10.348 9.385 247 HD22 LEU 36 HD22 LEU 36 -12.774 9.453 10.617 248 HD23 LEU 36 HD23 LEU 36 -13.566 10.981 11.028 249 H MET 37 H MET 37 -13.112 7.195 8.422 250 HA MET 37 HA MET 37 -11.648 9.288 7.204 251 HB2 MET 37 HB2 MET 37 -10.923 6.346 7.565 252 HB3 MET 37 HB3 MET 37 -9.779 7.610 7.121 253 HG2 MET 37 HG2 MET 37 -10.138 8.712 9.273 254 HG3 MET 37 HG3 MET 37 -11.333 7.488 9.721 255 HE1 MET 37 HE1 MET 37 -8.290 6.590 12.050 256 HE2 MET 37 HE2 MET 37 -10.022 6.914 11.997 257 HE3 MET 37 HE3 MET 37 -8.872 8.195 11.605 258 H LYS 38 H LYS 38 -13.059 6.314 5.968 259 HA LYS 38 HA LYS 38 -13.384 5.393 3.939 260 HB2 LYS 38 HB2 LYS 38 -14.842 7.419 3.715 261 HB3 LYS 38 HB3 LYS 38 -13.502 8.279 2.972 262 HG2 LYS 38 HG2 LYS 38 -14.967 7.549 1.202 263 HG3 LYS 38 HG3 LYS 38 -13.499 6.566 1.113 264 HD2 LYS 38 HD2 LYS 38 -14.727 4.765 2.395 265 HD3 LYS 38 HD3 LYS 38 -16.194 5.743 2.273 266 HE2 LYS 38 HE2 LYS 38 -16.220 4.036 0.554 267 HE3 LYS 38 HE3 LYS 38 -16.013 5.608 -0.219 268 HZ1 LYS 38 HZ1 LYS 38 -14.520 4.050 -1.202 269 HZ2 LYS 38 HZ2 LYS 38 -13.902 3.586 0.297 270 HZ3 LYS 38 HZ3 LYS 38 -13.599 5.135 -0.298 271 H TYR 39 H TYR 39 -11.475 4.325 3.593 272 HA TYR 39 HA TYR 39 -9.037 5.656 2.812 273 HB2 TYR 39 HB2 TYR 39 -9.720 2.695 3.103 274 HB3 TYR 39 HB3 TYR 39 -8.107 3.320 2.767 275 HD1 TYR 39 HD2 TYR 39 -6.898 4.664 4.497 276 HD2 TYR 39 HD1 TYR 39 -10.631 2.755 5.378 277 HE1 TYR 39 HE2 TYR 39 -6.447 4.893 6.894 278 HE2 TYR 39 HE1 TYR 39 -10.166 2.986 7.786 279 HH TYR 39 HH TYR 39 -7.705 4.980 8.999 280 H ILE 40 H ILE 40 -9.409 6.576 0.820 281 HA ILE 40 HA ILE 40 -10.208 4.950 -1.489 282 HB ILE 40 HB ILE 40 -9.373 7.899 -1.418 283 HG12 ILE 40 HG12 ILE 40 -12.204 6.737 -1.421 284 HG13 ILE 40 HG13 ILE 40 -11.419 7.472 -0.027 285 HG21 ILE 40 HG21 ILE 40 -9.149 6.866 -3.654 286 HG22 ILE 40 HG22 ILE 40 -10.464 8.039 -3.637 287 HG23 ILE 40 HG23 ILE 40 -10.826 6.311 -3.582 288 HD11 ILE 40 HD11 ILE 40 -12.987 8.997 -1.073 289 HD12 ILE 40 HD12 ILE 40 -12.121 8.888 -2.605 290 HD13 ILE 40 HD13 ILE 40 -11.344 9.620 -1.196 291 H CYS 41 H CYS 41 -8.605 3.685 -2.286 292 HA CYS 41 HA CYS 41 -5.838 3.949 -1.966 293 HB2 CYS 41 HB2 CYS 41 -6.903 1.832 -2.627 294 HB3 CYS 41 HB3 CYS 41 -7.409 2.535 -4.161 295 H HIS 42 H HIS 42 -4.414 5.280 -2.899 296 HA HIS 42 HA HIS 42 -5.300 7.367 -4.658 297 HB2 HIS 42 HB2 HIS 42 -3.684 7.629 -2.703 298 HB3 HIS 42 HB3 HIS 42 -2.457 6.853 -3.698 299 HD1 HIS 42 HD1 HIS 42 -0.907 8.799 -4.095 300 HD2 HIS 42 HD2 HIS 42 -4.865 9.786 -4.892 301 HE1 HIS 42 HE1 HIS 42 -0.835 11.072 -5.158 302 HE2 HIS 42 HE2 HIS 42 -3.245 11.667 -5.588 303 H ILE 43 H ILE 43 -4.146 4.281 -5.250 304 HA ILE 43 HA ILE 43 -2.959 4.888 -7.878 305 HB ILE 43 HB ILE 43 -3.278 2.230 -6.400 306 HG12 ILE 43 HG12 ILE 43 -0.805 3.968 -6.874 307 HG13 ILE 43 HG13 ILE 43 -1.633 3.759 -5.336 308 HG21 ILE 43 HG21 ILE 43 -1.811 2.797 -9.010 309 HG22 ILE 43 HG22 ILE 43 -3.308 1.879 -8.847 310 HG23 ILE 43 HG23 ILE 43 -1.816 1.253 -8.146 311 HD11 ILE 43 HD11 ILE 43 0.385 2.472 -5.370 312 HD12 ILE 43 HD12 ILE 43 -0.099 1.647 -6.852 313 HD13 ILE 43 HD13 ILE 43 -0.995 1.374 -5.353 314 H CYS 44 H CYS 44 -5.774 3.342 -6.339 315 HA CYS 44 HA CYS 44 -6.977 2.416 -8.816 316 HB2 CYS 44 HB2 CYS 44 -8.112 2.424 -5.989 317 HB3 CYS 44 HB3 CYS 44 -8.742 1.515 -7.367 318 H ASN 45 H ASN 45 -7.268 5.186 -6.710 319 HA ASN 45 HA ASN 45 -8.734 6.839 -6.309 320 HB2 ASN 45 HB2 ASN 45 -8.322 7.341 -8.737 321 HB3 ASN 45 HB3 ASN 45 -9.720 6.360 -9.158 322 HD21 ASN 45 HD21 ASN 45 -9.501 8.665 -6.433 323 HD22 ASN 45 HD22 ASN 45 -10.681 9.754 -7.053 324 H ARG 46 H ARG 46 -9.544 3.868 -6.034 325 HA ARG 46 HA ARG 46 -12.486 4.151 -5.881 326 HB2 ARG 46 HB2 ARG 46 -10.879 1.564 -6.021 327 HB3 ARG 46 HB3 ARG 46 -12.633 1.707 -6.057 328 HG2 ARG 46 HG2 ARG 46 -10.711 2.661 -8.209 329 HG3 ARG 46 HG3 ARG 46 -11.700 1.199 -8.277 330 HD2 ARG 46 HD2 ARG 46 -13.746 2.645 -8.161 331 HD3 ARG 46 HD3 ARG 46 -12.699 4.070 -8.225 332 HE ARG 46 HE ARG 46 -11.970 2.577 -10.406 333 HH11 ARG 46 HH11 ARG 46 -15.032 3.940 -9.328 334 HH12 ARG 46 HH12 ARG 46 -15.649 4.123 -10.939 335 HH21 ARG 46 HH21 ARG 46 -12.801 2.815 -12.496 336 HH22 ARG 46 HH22 ARG 46 -14.386 3.484 -12.730 337 H GLY 47 H GLY 47 -9.978 2.117 -4.307 338 HA2 GLY 47 HA2 GLY 47 -9.581 1.772 -2.011 339 HA3 GLY 47 HA3 GLY 47 -10.962 2.800 -1.620 340 H ASP 48 H ASP 48 -10.737 0.108 -3.853 341 HA ASP 48 HA ASP 48 -13.052 -1.231 -3.498 342 HB2 ASP 48 HB2 ASP 48 -10.371 -2.642 -3.922 343 HB3 ASP 48 HB3 ASP 48 -11.966 -3.224 -4.412 344 H VAL 49 H VAL 49 -10.091 -2.612 -1.995 345 HA VAL 49 HA VAL 49 -11.749 -3.591 0.263 346 HB VAL 49 HB VAL 49 -9.005 -4.677 -0.539 347 HG11 VAL 49 HG11 VAL 49 -9.675 -6.636 0.859 348 HG12 VAL 49 HG12 VAL 49 -11.190 -5.824 1.262 349 HG13 VAL 49 HG13 VAL 49 -9.654 -5.141 1.799 350 HG21 VAL 49 HG21 VAL 49 -10.577 -5.028 -2.423 351 HG22 VAL 49 HG22 VAL 49 -11.734 -5.793 -1.330 352 HG23 VAL 49 HG23 VAL 49 -10.177 -6.563 -1.646 353 H GLU 50 H GLU 50 -11.690 -1.751 1.500 354 HA GLU 50 HA GLU 50 -9.301 -0.306 2.183 355 HB2 GLU 50 HB2 GLU 50 -12.010 -0.268 3.576 356 HB3 GLU 50 HB3 GLU 50 -10.735 0.944 3.735 357 HG2 GLU 50 HG2 GLU 50 -11.001 1.528 1.352 358 HG3 GLU 50 HG3 GLU 50 -12.275 0.318 1.196 359 H GLU 51 H GLU 51 -10.943 -3.083 3.427 360 HA GLU 51 HA GLU 51 -9.845 -3.332 6.003 361 HB2 GLU 51 HB2 GLU 51 -11.720 -4.670 5.099 362 HB3 GLU 51 HB3 GLU 51 -10.625 -5.462 3.969 363 HG2 GLU 51 HG2 GLU 51 -9.393 -6.432 5.923 364 HG3 GLU 51 HG3 GLU 51 -10.596 -5.709 6.995 365 H SER 52 H SER 52 -8.560 -4.125 2.812 366 HA SER 52 HA SER 52 -6.000 -5.088 3.944 367 HB2 SER 52 HB2 SER 52 -7.113 -5.315 1.114 368 HB3 SER 52 HB3 SER 52 -5.592 -6.015 1.685 369 HG SER 52 HG SER 52 -7.075 -7.049 3.333 370 H MET 53 H MET 53 -7.048 -2.218 3.596 371 HA MET 53 HA MET 53 -5.313 -0.979 1.664 372 HB2 MET 53 HB2 MET 53 -7.482 0.044 2.371 373 HB3 MET 53 HB3 MET 53 -6.823 0.312 3.979 374 HG2 MET 53 HG2 MET 53 -6.659 2.391 2.800 375 HG3 MET 53 HG3 MET 53 -5.025 1.734 2.892 376 HE1 MET 53 HE1 MET 53 -8.125 2.410 0.567 377 HE2 MET 53 HE2 MET 53 -8.006 0.649 0.531 378 HE3 MET 53 HE3 MET 53 -7.635 1.589 -0.914 379 H LEU 54 H LEU 54 -3.251 -0.625 1.970 380 HA LEU 54 HA LEU 54 -1.967 -0.456 4.568 381 HB2 LEU 54 HB2 LEU 54 -0.850 -0.124 1.760 382 HB3 LEU 54 HB3 LEU 54 0.096 -0.186 3.242 383 HG LEU 54 HG LEU 54 -1.512 -2.477 2.050 384 HD11 LEU 54 HD11 LEU 54 1.479 -2.068 2.284 385 HD12 LEU 54 HD12 LEU 54 0.518 -1.975 0.804 386 HD13 LEU 54 HD13 LEU 54 0.668 -3.508 1.656 387 HD21 LEU 54 HD21 LEU 54 -0.535 -3.866 3.841 388 HD22 LEU 54 HD22 LEU 54 -1.564 -2.598 4.495 389 HD23 LEU 54 HD23 LEU 54 0.192 -2.426 4.568 390 H LEU 55 H LEU 55 -2.073 1.425 5.574 391 HA LEU 55 HA LEU 55 -2.340 3.977 4.142 392 HB2 LEU 55 HB2 LEU 55 -3.898 3.164 6.106 393 HB3 LEU 55 HB3 LEU 55 -2.544 3.513 7.154 394 HG LEU 55 HG LEU 55 -4.271 5.309 7.118 395 HD11 LEU 55 HD11 LEU 55 -1.622 6.312 6.037 396 HD12 LEU 55 HD12 LEU 55 -1.988 5.949 7.725 397 HD13 LEU 55 HD13 LEU 55 -2.837 7.256 6.906 398 HD21 LEU 55 HD21 LEU 55 -4.591 6.723 5.176 399 HD22 LEU 55 HD22 LEU 55 -5.005 5.054 4.805 400 HD23 LEU 55 HD23 LEU 55 -3.479 5.733 4.229 401 H CYS 56 H CYS 56 -0.416 4.911 3.734 402 HA CYS 56 HA CYS 56 2.059 4.318 4.985 403 HB2 CYS 56 HB2 CYS 56 2.008 5.235 2.714 404 HB3 CYS 56 HB3 CYS 56 1.255 6.719 3.297 405 H ASP 57 H ASP 57 2.339 4.675 7.095 406 HA ASP 57 HA ASP 57 0.875 6.510 8.686 407 HB2 ASP 57 HB2 ASP 57 1.890 4.469 9.619 408 HB3 ASP 57 HB3 ASP 57 3.507 5.086 9.291 409 H GLY 58 H GLY 58 3.969 6.745 7.066 410 HA2 GLY 58 HA2 GLY 58 4.639 9.370 8.162 411 HA3 GLY 58 HA3 GLY 58 5.623 8.390 7.091 412 H CYS 59 H CYS 59 2.268 8.939 6.295 413 HA CYS 59 HA CYS 59 2.794 11.326 4.691 414 HB2 CYS 59 HB2 CYS 59 1.675 8.754 3.503 415 HB3 CYS 59 HB3 CYS 59 1.627 10.329 2.697 416 H ASP 60 H ASP 60 0.199 8.880 5.002 417 HA ASP 60 HA ASP 60 -1.970 9.631 6.024 418 HB2 ASP 60 HB2 ASP 60 -1.711 12.077 5.580 419 HB3 ASP 60 HB3 ASP 60 -1.664 11.773 3.850 420 H ASP 61 H ASP 61 -0.404 8.880 3.083 421 HA ASP 61 HA ASP 61 -2.695 8.789 1.371 422 HB2 ASP 61 HB2 ASP 61 -0.078 9.239 0.860 423 HB3 ASP 61 HB3 ASP 61 -0.097 7.519 0.526 424 H SER 62 H SER 62 -3.913 7.117 0.712 425 HA SER 62 HA SER 62 -3.629 4.495 1.976 426 HB2 SER 62 HB2 SER 62 -5.841 5.697 0.259 427 HB3 SER 62 HB3 SER 62 -5.901 4.086 0.973 428 HG SER 62 HG SER 62 -6.013 6.597 2.221 429 H TYR 63 H TYR 63 -3.102 2.669 0.909 430 HA TYR 63 HA TYR 63 -2.865 2.530 -2.025 431 HB2 TYR 63 HB2 TYR 63 -0.634 1.780 -0.062 432 HB3 TYR 63 HB3 TYR 63 -0.636 1.359 -1.767 433 HD1 TYR 63 HD2 TYR 63 -0.314 3.123 -3.495 434 HD2 TYR 63 HD1 TYR 63 0.022 4.018 0.672 435 HE1 TYR 63 HE2 TYR 63 0.911 5.171 -4.038 436 HE2 TYR 63 HE1 TYR 63 1.242 6.085 0.130 437 HH TYR 63 HH TYR 63 1.317 7.426 -2.896 438 H HIS 64 H HIS 64 -3.764 0.547 -2.695 439 HA HIS 64 HA HIS 64 -4.231 -1.608 -0.801 440 HB2 HIS 64 HB2 HIS 64 -4.471 -1.513 -3.834 441 HB3 HIS 64 HB3 HIS 64 -4.794 -2.963 -2.903 442 HD2 HIS 64 HD2 HIS 64 -6.689 -1.788 -0.601 443 HE1 HIS 64 HE1 HIS 64 -8.990 -0.377 -3.836 444 HE2 HIS 64 HE2 HIS 64 -8.955 -0.797 -1.339 445 H THR 65 H THR 65 -3.136 -3.532 -0.671 446 HA THR 65 HA THR 65 -0.379 -3.755 -1.033 447 HB THR 65 HB THR 65 -0.829 -6.274 -0.791 448 HG1 THR 65 HG1 THR 65 -3.300 -6.342 -0.085 449 HG21 THR 65 HG21 THR 65 -2.229 -4.487 1.232 450 HG22 THR 65 HG22 THR 65 -0.514 -4.908 1.240 451 HG23 THR 65 HG23 THR 65 -1.728 -6.157 1.508 452 H PHE 66 H PHE 66 -3.046 -4.919 -3.032 453 HA PHE 66 HA PHE 66 -1.370 -6.184 -5.024 454 HB2 PHE 66 HB2 PHE 66 -3.734 -6.679 -6.070 455 HB3 PHE 66 HB3 PHE 66 -3.275 -7.479 -4.577 456 HD1 PHE 66 HD2 PHE 66 -5.399 -4.731 -5.970 457 HD2 PHE 66 HD1 PHE 66 -4.529 -7.159 -2.553 458 HE1 PHE 66 HE2 PHE 66 -7.447 -3.939 -4.862 459 HE2 PHE 66 HE1 PHE 66 -6.581 -6.357 -1.464 460 HZ PHE 66 HZ PHE 66 -8.040 -4.746 -2.619 461 H CYS 67 H CYS 67 -2.342 -2.990 -4.638 462 HA CYS 67 HA CYS 67 -2.498 -2.421 -7.531 463 HB2 CYS 67 HB2 CYS 67 -2.953 -0.592 -5.136 464 HB3 CYS 67 HB3 CYS 67 -3.175 -0.132 -6.832 465 H LEU 68 H LEU 68 -0.291 -2.377 -4.923 466 HA LEU 68 HA LEU 68 1.529 -0.358 -5.823 467 HB2 LEU 68 HB2 LEU 68 1.819 -2.718 -3.939 468 HB3 LEU 68 HB3 LEU 68 3.116 -1.561 -4.210 469 HG LEU 68 HG LEU 68 0.376 -0.687 -3.214 470 HD11 LEU 68 HD11 LEU 68 1.200 -2.327 -1.622 471 HD12 LEU 68 HD12 LEU 68 1.223 -0.706 -0.932 472 HD13 LEU 68 HD13 LEU 68 2.730 -1.455 -1.474 473 HD21 LEU 68 HD21 LEU 68 1.568 1.302 -2.421 474 HD22 LEU 68 HD22 LEU 68 1.786 1.095 -4.155 475 HD23 LEU 68 HD23 LEU 68 3.096 0.669 -3.047 476 H LEU 69 H LEU 69 3.759 -0.785 -6.537 477 HA LEU 69 HA LEU 69 4.191 -3.322 -7.997 478 HB2 LEU 69 HB2 LEU 69 4.830 -0.519 -9.004 479 HB3 LEU 69 HB3 LEU 69 5.488 -1.984 -9.720 480 HG LEU 69 HG LEU 69 2.535 -1.234 -9.630 481 HD11 LEU 69 HD11 LEU 69 2.726 -0.971 -12.054 482 HD12 LEU 69 HD12 LEU 69 4.459 -1.303 -11.966 483 HD13 LEU 69 HD13 LEU 69 3.791 0.143 -11.198 484 HD21 LEU 69 HD21 LEU 69 2.159 -3.199 -11.073 485 HD22 LEU 69 HD22 LEU 69 2.797 -3.668 -9.500 486 HD23 LEU 69 HD23 LEU 69 3.860 -3.655 -10.911 487 HA PRO 70 HA PRO 70 5.429 -4.980 -7.898 488 HB2 PRO 70 HB2 PRO 70 6.512 -6.804 -6.164 489 HB3 PRO 70 HB3 PRO 70 7.465 -6.081 -7.480 490 HG2 PRO 70 HG2 PRO 70 7.398 -5.310 -4.570 491 HG3 PRO 70 HG3 PRO 70 8.800 -5.514 -5.644 492 HD2 PRO 70 HD2 PRO 70 7.738 -3.061 -5.078 493 HD3 PRO 70 HD3 PRO 70 8.531 -3.427 -6.626 494 HA PRO 71 HA PRO 71 1.793 -5.055 -5.205 495 HB2 PRO 71 HB2 PRO 71 1.235 -7.753 -6.400 496 HB3 PRO 71 HB3 PRO 71 0.230 -6.290 -6.410 497 HG2 PRO 71 HG2 PRO 71 1.464 -7.112 -8.635 498 HG3 PRO 71 HG3 PRO 71 1.314 -5.381 -8.250 499 HD2 PRO 71 HD2 PRO 71 3.711 -7.176 -7.921 500 HD3 PRO 71 HD3 PRO 71 3.632 -5.501 -8.512 501 H LEU 72 H LEU 72 1.689 -5.621 -3.113 502 HA LEU 72 HA LEU 72 3.504 -7.594 -2.022 503 HB2 LEU 72 HB2 LEU 72 1.526 -5.750 -0.599 504 HB3 LEU 72 HB3 LEU 72 2.807 -6.685 0.167 505 HG LEU 72 HG LEU 72 3.175 -4.332 -1.740 506 HD11 LEU 72 HD11 LEU 72 4.180 -3.183 0.171 507 HD12 LEU 72 HD12 LEU 72 3.810 -4.560 1.215 508 HD13 LEU 72 HD13 LEU 72 2.505 -3.625 0.480 509 HD21 LEU 72 HD21 LEU 72 5.595 -4.548 -1.338 510 HD22 LEU 72 HD22 LEU 72 4.943 -5.971 -2.142 511 HD23 LEU 72 HD23 LEU 72 5.321 -6.033 -0.418 512 H THR 73 H THR 73 2.758 -9.636 -2.424 513 HA THR 73 HA THR 73 0.084 -10.554 -2.349 514 HB THR 73 HB THR 73 2.582 -12.243 -1.853 515 HG1 THR 73 HG1 THR 73 2.358 -12.463 -4.271 516 HG21 THR 73 HG21 THR 73 1.304 -14.030 -2.998 517 HG22 THR 73 HG22 THR 73 -0.071 -12.938 -3.185 518 HG23 THR 73 HG23 THR 73 0.427 -13.463 -1.574 519 H SER 74 H SER 74 2.449 -10.017 0.124 520 HA SER 74 HA SER 74 0.728 -11.174 2.239 521 HB2 SER 74 HB2 SER 74 3.704 -10.510 2.379 522 HB3 SER 74 HB3 SER 74 2.747 -11.320 3.625 523 HG SER 74 HG SER 74 2.408 -12.678 1.384 524 H ILE 75 H ILE 75 -0.143 -9.781 3.671 525 HA ILE 75 HA ILE 75 0.236 -6.917 3.381 526 HB ILE 75 HB ILE 75 -1.541 -8.412 5.377 527 HG12 ILE 75 HG12 ILE 75 -2.284 -7.274 2.639 528 HG13 ILE 75 HG13 ILE 75 -2.149 -8.984 3.030 529 HG21 ILE 75 HG21 ILE 75 -1.069 -6.068 6.035 530 HG22 ILE 75 HG22 ILE 75 -2.764 -6.279 5.599 531 HG23 ILE 75 HG23 ILE 75 -1.654 -5.503 4.466 532 HD11 ILE 75 HD11 ILE 75 -4.035 -8.764 4.588 533 HD12 ILE 75 HD12 ILE 75 -4.460 -8.302 2.943 534 HD13 ILE 75 HD13 ILE 75 -4.185 -7.057 4.160 535 HA PRO 76 HA PRO 76 3.289 -6.781 6.850 536 HB2 PRO 76 HB2 PRO 76 2.771 -3.838 6.590 537 HB3 PRO 76 HB3 PRO 76 4.315 -4.714 6.547 538 HG2 PRO 76 HG2 PRO 76 3.234 -3.658 4.337 539 HG3 PRO 76 HG3 PRO 76 4.153 -5.178 4.292 540 HD2 PRO 76 HD2 PRO 76 1.181 -4.758 4.185 541 HD3 PRO 76 HD3 PRO 76 2.181 -5.947 3.320 542 H LYS 77 H LYS 77 2.906 -6.638 9.041 543 HA LYS 77 HA LYS 77 0.228 -6.628 9.921 544 HB2 LYS 77 HB2 LYS 77 1.177 -6.840 12.228 545 HB3 LYS 77 HB3 LYS 77 1.807 -8.005 11.084 546 HG2 LYS 77 HG2 LYS 77 3.791 -7.471 12.113 547 HG3 LYS 77 HG3 LYS 77 3.790 -6.200 10.890 548 HD2 LYS 77 HD2 LYS 77 2.669 -4.696 12.674 549 HD3 LYS 77 HD3 LYS 77 3.064 -5.954 13.843 550 HE2 LYS 77 HE2 LYS 77 5.419 -5.645 13.470 551 HE3 LYS 77 HE3 LYS 77 5.125 -4.588 12.090 552 HZ1 LYS 77 HZ1 LYS 77 5.727 -3.350 14.077 553 HZ2 LYS 77 HZ2 LYS 77 4.394 -3.984 14.902 554 HZ3 LYS 77 HZ3 LYS 77 4.161 -2.963 13.575 555 H GLY 78 H GLY 78 -0.777 -4.707 9.352 556 HA2 GLY 78 HA2 GLY 78 -2.025 -3.065 10.409 557 HA3 GLY 78 HA3 GLY 78 -0.792 -2.890 11.640 558 H GLU 79 H GLU 79 1.296 -1.809 10.858 559 HA GLU 79 HA GLU 79 0.549 0.584 9.280 560 HB2 GLU 79 HB2 GLU 79 2.559 0.261 11.547 561 HB3 GLU 79 HB3 GLU 79 2.301 1.759 10.648 562 HG2 GLU 79 HG2 GLU 79 -0.022 1.854 11.442 563 HG3 GLU 79 HG3 GLU 79 0.181 0.324 12.292 564 H TRP 80 H TRP 80 1.438 0.741 7.389 565 HA TRP 80 HA TRP 80 4.143 -0.289 6.774 566 HB2 TRP 80 HB2 TRP 80 2.472 -1.645 5.651 567 HB3 TRP 80 HB3 TRP 80 1.577 -0.228 5.125 568 HD1 TRP 80 HD1 TRP 80 4.783 -2.226 4.267 569 HE1 TRP 80 HE1 TRP 80 5.390 -1.712 1.823 570 HE3 TRP 80 HE3 TRP 80 1.437 1.523 3.390 571 HZ2 TRP 80 HZ2 TRP 80 4.564 0.064 -0.212 572 HZ3 TRP 80 HZ3 TRP 80 1.409 2.590 1.175 573 HH2 TRP 80 HH2 TRP 80 2.943 1.879 -0.591 574 H LEU 81 H LEU 81 5.360 0.987 5.241 575 HA LEU 81 HA LEU 81 4.584 3.850 5.076 576 HB2 LEU 81 HB2 LEU 81 7.357 2.609 5.234 577 HB3 LEU 81 HB3 LEU 81 7.046 4.315 4.941 578 HG LEU 81 HG LEU 81 6.408 2.775 7.484 579 HD11 LEU 81 HD11 LEU 81 8.415 4.986 6.982 580 HD12 LEU 81 HD12 LEU 81 8.779 3.273 7.218 581 HD13 LEU 81 HD13 LEU 81 8.073 4.208 8.533 582 HD21 LEU 81 HD21 LEU 81 5.664 4.917 8.432 583 HD22 LEU 81 HD22 LEU 81 4.655 4.431 7.075 584 HD23 LEU 81 HD23 LEU 81 5.867 5.699 6.859 585 H CYS 82 H CYS 82 4.551 4.779 3.104 586 HA CYS 82 HA CYS 82 4.507 3.325 0.716 587 HB2 CYS 82 HB2 CYS 82 4.429 5.517 -0.429 588 HB3 CYS 82 HB3 CYS 82 3.376 5.518 0.993 589 HA PRO 83 HA PRO 83 8.787 2.910 -0.818 590 HB2 PRO 83 HB2 PRO 83 7.658 4.216 -3.320 591 HB3 PRO 83 HB3 PRO 83 8.692 2.773 -3.172 592 HG2 PRO 83 HG2 PRO 83 6.105 2.434 -3.600 593 HG3 PRO 83 HG3 PRO 83 6.937 1.416 -2.402 594 HD2 PRO 83 HD2 PRO 83 5.110 3.763 -1.928 595 HD3 PRO 83 HD3 PRO 83 5.239 2.234 -1.031 596 H ARG 84 H ARG 84 7.102 5.999 -1.065 597 HA ARG 84 HA ARG 84 9.457 7.592 -1.533 598 HB2 ARG 84 HB2 ARG 84 6.574 8.275 -0.904 599 HB3 ARG 84 HB3 ARG 84 7.806 9.522 -0.797 600 HG2 ARG 84 HG2 ARG 84 6.639 9.591 -2.953 601 HG3 ARG 84 HG3 ARG 84 8.359 9.257 -3.153 602 HD2 ARG 84 HD2 ARG 84 7.856 6.858 -3.486 603 HD3 ARG 84 HD3 ARG 84 6.138 7.189 -3.258 604 HE ARG 84 HE ARG 84 6.205 8.527 -5.289 605 HH11 ARG 84 HH11 ARG 84 8.883 6.278 -4.836 606 HH12 ARG 84 HH12 ARG 84 9.246 6.182 -6.530 607 HH21 ARG 84 HH21 ARG 84 6.685 8.389 -7.495 608 HH22 ARG 84 HH22 ARG 84 7.993 7.388 -8.044 609 H CYS 85 H CYS 85 7.778 6.467 1.379 610 HA CYS 85 HA CYS 85 9.292 8.138 3.198 611 HB2 CYS 85 HB2 CYS 85 7.588 5.675 3.726 612 HB3 CYS 85 HB3 CYS 85 8.264 6.711 4.954 613 H VAL 86 H VAL 86 9.455 4.822 1.907 614 HA VAL 86 HA VAL 86 11.548 3.834 3.578 615 HB VAL 86 HB VAL 86 10.608 2.801 0.857 616 HG11 VAL 86 HG11 VAL 86 12.197 1.371 3.025 617 HG12 VAL 86 HG12 VAL 86 12.820 1.874 1.452 618 HG13 VAL 86 HG13 VAL 86 11.579 0.623 1.549 619 HG21 VAL 86 HG21 VAL 86 9.203 1.217 2.163 620 HG22 VAL 86 HG22 VAL 86 8.762 2.891 2.501 621 HG23 VAL 86 HG23 VAL 86 9.736 1.986 3.661 622 H VAL 87 H VAL 87 11.539 5.114 0.249 623 HA VAL 87 HA VAL 87 14.435 5.105 0.012 624 HB VAL 87 HB VAL 87 12.327 6.379 -1.806 625 HG11 VAL 87 HG11 VAL 87 14.516 7.465 -2.164 626 HG12 VAL 87 HG12 VAL 87 14.065 6.492 -3.564 627 HG13 VAL 87 HG13 VAL 87 15.269 5.888 -2.421 628 HG21 VAL 87 HG21 VAL 87 12.094 3.928 -1.698 629 HG22 VAL 87 HG22 VAL 87 13.796 3.732 -2.126 630 HG23 VAL 87 HG23 VAL 87 12.668 4.430 -3.292 631 H GLU 88 H GLU 88 12.090 7.197 1.391 632 HA GLU 88 HA GLU 88 11.997 9.224 2.239 633 HB2 GLU 88 HB2 GLU 88 14.038 8.431 3.456 634 HB3 GLU 88 HB3 GLU 88 15.031 9.131 2.180 635 HG2 GLU 88 HG2 GLU 88 13.827 11.334 2.740 636 HG3 GLU 88 HG3 GLU 88 13.334 10.533 4.227 637 H GLU 89 H GLU 89 14.973 9.931 0.527 638 HA GLU 89 HA GLU 89 13.887 10.913 -1.891 639 HB2 GLU 89 HB2 GLU 89 13.612 12.771 0.203 640 HB3 GLU 89 HB3 GLU 89 15.138 13.262 -0.510 641 HG2 GLU 89 HG2 GLU 89 12.423 13.134 -1.850 642 HG3 GLU 89 HG3 GLU 89 13.346 14.578 -1.446 643 H VAL 90 H VAL 90 15.997 9.187 -0.640 644 HA VAL 90 HA VAL 90 18.488 10.492 -1.554 645 HB VAL 90 HB VAL 90 19.724 8.734 -0.256 646 HG11 VAL 90 HG11 VAL 90 17.722 10.333 1.382 647 HG12 VAL 90 HG12 VAL 90 19.258 10.926 0.744 648 HG13 VAL 90 HG13 VAL 90 19.248 9.667 1.983 649 HG21 VAL 90 HG21 VAL 90 18.019 6.933 -0.223 650 HG22 VAL 90 HG22 VAL 90 16.997 7.913 0.829 651 HG23 VAL 90 HG23 VAL 90 18.559 7.328 1.411 652 H SER 91 H SER 91 17.361 10.027 -3.729 653 HA SER 91 HA SER 91 17.817 7.406 -4.862 654 HB2 SER 91 HB2 SER 91 17.376 10.099 -6.231 655 HB3 SER 91 HB3 SER 91 17.374 8.536 -7.046 656 HG SER 91 HG SER 91 15.637 9.089 -4.881 657 H LYS 92 H LYS 92 19.943 6.991 -4.185 658 HA LYS 92 HA LYS 92 22.131 8.681 -5.249 659 HB2 LYS 92 HB2 LYS 92 22.272 6.684 -2.934 660 HB3 LYS 92 HB3 LYS 92 23.536 7.804 -3.440 661 HG2 LYS 92 HG2 LYS 92 20.865 8.559 -2.193 662 HG3 LYS 92 HG3 LYS 92 22.435 8.552 -1.381 663 HD2 LYS 92 HD2 LYS 92 23.225 10.339 -2.926 664 HD3 LYS 92 HD3 LYS 92 21.644 10.347 -3.716 665 HE2 LYS 92 HE2 LYS 92 20.602 11.036 -1.568 666 HE3 LYS 92 HE3 LYS 92 22.199 11.075 -0.814 667 HZ1 LYS 92 HZ1 LYS 92 21.482 13.272 -1.494 668 HZ2 LYS 92 HZ2 LYS 92 21.307 12.759 -3.093 669 HZ3 LYS 92 HZ3 LYS 92 22.839 12.805 -2.385 670 HA PRO 93 HA PRO 93 23.153 4.865 -7.670 671 HB2 PRO 93 HB2 PRO 93 24.729 6.887 -9.220 672 HB3 PRO 93 HB3 PRO 93 23.572 5.682 -9.823 673 HG2 PRO 93 HG2 PRO 93 22.962 8.300 -9.819 674 HG3 PRO 93 HG3 PRO 93 21.730 7.063 -9.471 675 HD2 PRO 93 HD2 PRO 93 23.249 8.803 -7.520 676 HD3 PRO 93 HD3 PRO 93 21.517 8.391 -7.556 677 H GLN 94 H GLN 94 25.374 7.647 -7.272 678 HA GLN 94 HA GLN 94 26.677 6.832 -4.968 679 HB2 GLN 94 HB2 GLN 94 27.920 5.628 -7.389 680 HB3 GLN 94 HB3 GLN 94 29.066 6.564 -6.437 681 HG2 GLN 94 HG2 GLN 94 28.410 5.226 -4.419 682 HG3 GLN 94 HG3 GLN 94 27.384 4.238 -5.454 683 HE21 GLN 94 HE21 GLN 94 28.370 2.813 -6.927 684 HE22 GLN 94 HE22 GLN 94 30.030 2.349 -6.783 Start of MODEL 10 1 H1 SER 1 H1 SER 1-104.547 45.944 14.585 2 H2 SER 1 H2 SER 1-104.182 47.285 15.545 3 H3 SER 1 H3 SER 1-105.771 47.021 15.039 4 HA SER 1 HA SER 1-105.464 46.437 17.346 5 HB2 SER 1 HB2 SER 1-106.023 44.087 15.491 6 HB3 SER 1 HB3 SER 1-106.546 44.201 17.174 7 HG SER 1 HG SER 1-108.201 44.825 15.756 8 H HIS 2 H HIS 2-102.723 46.005 15.744 9 HA HIS 2 HA HIS 2-101.529 44.144 17.704 10 HB2 HIS 2 HB2 HIS 2-102.079 42.863 15.599 11 HB3 HIS 2 HB3 HIS 2-101.082 43.978 14.675 12 HD2 HIS 2 HD2 HIS 2-100.654 41.058 17.266 13 HE1 HIS 2 HE1 HIS 2 -96.910 41.935 15.515 14 HE2 HIS 2 HE2 HIS 2 -98.208 40.289 16.922 15 H MET 3 H MET 3 -99.171 44.375 17.827 16 HA MET 3 HA MET 3 -98.169 47.055 17.485 17 HB2 MET 3 HB2 MET 3 -96.053 46.121 18.467 18 HB3 MET 3 HB3 MET 3 -97.467 45.762 19.442 19 HG2 MET 3 HG2 MET 3 -97.494 43.466 18.592 20 HG3 MET 3 HG3 MET 3 -96.116 43.819 17.553 21 HE1 MET 3 HE1 MET 3 -96.108 41.321 19.540 22 HE2 MET 3 HE2 MET 3 -94.497 41.472 20.238 23 HE3 MET 3 HE3 MET 3 -94.731 41.756 18.515 24 H SER 4 H SER 4 -98.618 47.067 15.128 25 HA SER 4 HA SER 4 -97.297 45.356 13.279 26 HB2 SER 4 HB2 SER 4 -98.627 48.060 12.809 27 HB3 SER 4 HB3 SER 4 -98.244 46.868 11.563 28 HG SER 4 HG SER 4 -99.872 45.628 12.222 29 H GLY 5 H GLY 5 -95.121 45.365 13.544 30 HA2 GLY 5 HA2 GLY 5 -93.415 47.082 12.228 31 HA3 GLY 5 HA3 GLY 5 -93.470 47.688 13.883 32 H GLY 6 H GLY 6 -93.223 44.603 12.163 33 HA2 GLY 6 HA2 GLY 6 -90.725 43.876 13.437 34 HA3 GLY 6 HA3 GLY 6 -92.105 42.913 13.966 35 H SER 7 H SER 7 -89.668 43.163 11.643 36 HA SER 7 HA SER 7 -90.843 41.051 9.991 37 HB2 SER 7 HB2 SER 7 -90.224 42.275 7.881 38 HB3 SER 7 HB3 SER 7 -91.494 43.094 8.785 39 HG SER 7 HG SER 7 -90.067 44.627 9.431 40 HA PRO 8 HA PRO 8 -86.498 39.766 10.214 41 HB2 PRO 8 HB2 PRO 8 -87.032 37.773 8.086 42 HB3 PRO 8 HB3 PRO 8 -86.709 37.498 9.807 43 HG2 PRO 8 HG2 PRO 8 -89.144 37.033 8.702 44 HG3 PRO 8 HG3 PRO 8 -88.942 37.552 10.391 45 HD2 PRO 8 HD2 PRO 8 -89.679 39.223 7.984 46 HD3 PRO 8 HD3 PRO 8 -90.383 39.231 9.620 47 H LEU 9 H LEU 9 -84.574 39.749 8.916 48 HA LEU 9 HA LEU 9 -84.693 40.442 6.105 49 HB2 LEU 9 HB2 LEU 9 -83.219 42.470 6.388 50 HB3 LEU 9 HB3 LEU 9 -84.871 42.655 6.925 51 HG LEU 9 HG LEU 9 -83.950 42.258 9.339 52 HD11 LEU 9 HD11 LEU 9 -81.613 42.917 9.749 53 HD12 LEU 9 HD12 LEU 9 -81.315 42.965 8.007 54 HD13 LEU 9 HD13 LEU 9 -81.714 41.438 8.795 55 HD21 LEU 9 HD21 LEU 9 -84.804 44.415 8.543 56 HD22 LEU 9 HD22 LEU 9 -83.219 44.817 7.880 57 HD23 LEU 9 HD23 LEU 9 -83.429 44.634 9.625 58 H ALA 10 H ALA 10 -82.828 40.029 4.987 59 HA ALA 10 HA ALA 10 -80.291 39.388 6.096 60 HB1 ALA 10 HB1 ALA 10 -80.232 36.953 5.536 61 HB2 ALA 10 HB2 ALA 10 -81.960 36.993 5.180 62 HB3 ALA 10 HB3 ALA 10 -81.390 37.294 6.823 63 H THR 11 H THR 11 -79.834 40.933 4.470 64 HA THR 11 HA THR 11 -79.427 39.779 1.783 65 HB THR 11 HB THR 11 -80.545 42.602 2.221 66 HG1 THR 11 HG1 THR 11 -82.146 41.004 2.499 67 HG21 THR 11 HG21 THR 11 -79.994 41.115 -0.380 68 HG22 THR 11 HG22 THR 11 -79.041 42.463 0.243 69 HG23 THR 11 HG23 THR 11 -80.721 42.714 -0.239 70 H GLY 12 H GLY 12 -77.256 39.664 1.876 71 HA2 GLY 12 HA2 GLY 12 -75.470 41.669 1.535 72 HA3 GLY 12 HA3 GLY 12 -75.610 41.585 3.290 73 H THR 13 H THR 13 -75.282 39.331 0.522 74 HA THR 13 HA THR 13 -73.315 37.752 2.066 75 HB THR 13 HB THR 13 -75.140 36.441 1.003 76 HG1 THR 13 HG1 THR 13 -73.771 34.875 0.478 77 HG21 THR 13 HG21 THR 13 -73.987 37.356 -1.665 78 HG22 THR 13 HG22 THR 13 -75.556 37.830 -1.013 79 HG23 THR 13 HG23 THR 13 -75.256 36.147 -1.439 80 H THR 14 H THR 14 -71.279 37.253 1.152 81 HA THR 14 HA THR 14 -70.313 38.411 -1.277 82 HB THR 14 HB THR 14 -70.186 40.470 0.024 83 HG1 THR 14 HG1 THR 14 -68.045 40.926 -0.280 84 HG21 THR 14 HG21 THR 14 -68.523 39.000 2.109 85 HG22 THR 14 HG22 THR 14 -70.181 39.560 2.334 86 HG23 THR 14 HG23 THR 14 -68.878 40.728 2.100 87 H ALA 15 H ALA 15 -68.949 36.909 -2.040 88 HA ALA 15 HA ALA 15 -67.091 35.434 -0.365 89 HB1 ALA 15 HB1 ALA 15 -67.992 33.198 -0.892 90 HB2 ALA 15 HB2 ALA 15 -69.354 33.929 -1.746 91 HB3 ALA 15 HB3 ALA 15 -69.182 34.153 -0.004 92 H ASN 16 H ASN 16 -65.705 36.603 -1.821 93 HA ASN 16 HA ASN 16 -64.997 34.995 -4.160 94 HB2 ASN 16 HB2 ASN 16 -66.419 36.798 -5.129 95 HB3 ASN 16 HB3 ASN 16 -65.411 38.024 -4.366 96 HD21 ASN 16 HD21 ASN 16 -64.958 38.954 -6.392 97 HD22 ASN 16 HD22 ASN 16 -63.883 38.219 -7.526 98 H THR 17 H THR 17 -63.204 34.321 -3.034 99 HA THR 17 HA THR 17 -61.282 36.250 -1.966 100 HB THR 17 HB THR 17 -61.664 34.216 -0.643 101 HG1 THR 17 HG1 THR 17 -59.529 35.189 -0.715 102 HG21 THR 17 HG21 THR 17 -60.927 31.980 -1.408 103 HG22 THR 17 HG22 THR 17 -60.559 32.639 -3.002 104 HG23 THR 17 HG23 THR 17 -62.228 32.598 -2.432 105 H ARG 18 H ARG 18 -59.363 36.790 -2.946 106 HA ARG 18 HA ARG 18 -58.486 35.448 -5.406 107 HB2 ARG 18 HB2 ARG 18 -60.115 37.389 -5.959 108 HB3 ARG 18 HB3 ARG 18 -58.866 38.473 -5.366 109 HG2 ARG 18 HG2 ARG 18 -58.500 38.496 -7.676 110 HG3 ARG 18 HG3 ARG 18 -57.322 37.308 -7.126 111 HD2 ARG 18 HD2 ARG 18 -60.033 36.697 -8.348 112 HD3 ARG 18 HD3 ARG 18 -58.481 36.571 -9.172 113 HE ARG 18 HE ARG 18 -58.078 34.904 -7.147 114 HH11 ARG 18 HH11 ARG 18 -60.916 35.137 -9.241 115 HH12 ARG 18 HH12 ARG 18 -61.304 33.452 -9.079 116 HH21 ARG 18 HH21 ARG 18 -58.600 32.703 -6.974 117 HH22 ARG 18 HH22 ARG 18 -59.993 32.080 -7.799 118 H GLY 19 H GLY 19 -56.552 34.832 -4.619 119 HA2 GLY 19 HA2 GLY 19 -54.320 36.460 -4.602 120 HA3 GLY 19 HA3 GLY 19 -54.845 36.382 -2.922 121 H ALA 20 H ALA 20 -53.293 34.703 -5.502 122 HA ALA 20 HA ALA 20 -52.447 32.543 -3.719 123 HB1 ALA 20 HB1 ALA 20 -53.050 30.770 -5.337 124 HB2 ALA 20 HB2 ALA 20 -53.827 31.968 -6.377 125 HB3 ALA 20 HB3 ALA 20 -54.487 31.625 -4.777 126 H SER 21 H SER 21 -50.283 32.639 -3.888 127 HA SER 21 HA SER 21 -48.990 33.034 -6.538 128 HB2 SER 21 HB2 SER 21 -48.041 34.140 -3.847 129 HB3 SER 21 HB3 SER 21 -47.188 34.301 -5.383 130 HG SER 21 HG SER 21 -49.849 35.158 -5.234 131 H GLN 22 H GLN 22 -48.650 30.847 -6.893 132 HA GLN 22 HA GLN 22 -47.288 29.165 -4.908 133 HB2 GLN 22 HB2 GLN 22 -48.249 28.490 -7.734 134 HB3 GLN 22 HB3 GLN 22 -47.510 27.344 -6.625 135 HG2 GLN 22 HG2 GLN 22 -49.882 26.970 -6.637 136 HG3 GLN 22 HG3 GLN 22 -49.436 27.650 -5.076 137 HE21 GLN 22 HE21 GLN 22 -50.903 28.394 -8.183 138 HE22 GLN 22 HE22 GLN 22 -51.836 29.738 -7.629 139 H LYS 23 H LYS 23 -45.134 29.755 -4.753 140 HA LYS 23 HA LYS 23 -43.456 29.135 -7.065 141 HB2 LYS 23 HB2 LYS 23 -43.904 31.640 -7.185 142 HB3 LYS 23 HB3 LYS 23 -43.081 31.814 -5.636 143 HG2 LYS 23 HG2 LYS 23 -41.027 30.801 -6.692 144 HG3 LYS 23 HG3 LYS 23 -41.872 30.821 -8.244 145 HD2 LYS 23 HD2 LYS 23 -42.078 33.307 -8.062 146 HD3 LYS 23 HD3 LYS 23 -41.179 33.248 -6.543 147 HE2 LYS 23 HE2 LYS 23 -40.145 32.472 -9.289 148 HE3 LYS 23 HE3 LYS 23 -39.673 33.884 -8.346 149 HZ1 LYS 23 HZ1 LYS 23 -38.006 32.195 -8.163 150 HZ2 LYS 23 HZ2 LYS 23 -39.133 31.040 -7.671 151 HZ3 LYS 23 HZ3 LYS 23 -38.766 32.347 -6.663 152 H LYS 24 H LYS 24 -42.314 27.558 -6.193 153 HA LYS 24 HA LYS 24 -40.388 28.063 -4.103 154 HB2 LYS 24 HB2 LYS 24 -41.019 26.151 -2.665 155 HB3 LYS 24 HB3 LYS 24 -42.300 27.357 -2.703 156 HG2 LYS 24 HG2 LYS 24 -43.619 25.981 -4.221 157 HG3 LYS 24 HG3 LYS 24 -42.305 24.804 -4.343 158 HD2 LYS 24 HD2 LYS 24 -42.544 24.248 -1.961 159 HD3 LYS 24 HD3 LYS 24 -43.802 25.474 -1.777 160 HE2 LYS 24 HE2 LYS 24 -44.003 23.032 -3.575 161 HE3 LYS 24 HE3 LYS 24 -44.725 23.172 -1.971 162 HZ1 LYS 24 HZ1 LYS 24 -46.350 23.644 -3.667 163 HZ2 LYS 24 HZ2 LYS 24 -45.380 24.855 -4.333 164 HZ3 LYS 24 HZ3 LYS 24 -46.034 25.053 -2.789 165 H GLY 25 H GLY 25 -39.440 25.499 -3.703 166 HA2 GLY 25 HA2 GLY 25 -38.615 23.549 -4.727 167 HA3 GLY 25 HA3 GLY 25 -39.169 24.135 -6.291 168 H GLY 26 H GLY 26 -37.139 23.672 -7.248 169 HA2 GLY 26 HA2 GLY 26 -35.061 24.214 -8.063 170 HA3 GLY 26 HA3 GLY 26 -35.253 25.787 -7.305 171 H GLU 27 H GLU 27 -35.328 22.737 -5.592 172 HA GLU 27 HA GLU 27 -33.359 23.493 -3.664 173 HB2 GLU 27 HB2 GLU 27 -35.294 22.030 -3.159 174 HB3 GLU 27 HB3 GLU 27 -34.690 20.809 -4.272 175 HG2 GLU 27 HG2 GLU 27 -34.235 20.092 -2.014 176 HG3 GLU 27 HG3 GLU 27 -32.702 20.493 -2.783 177 HA PRO 28 HA PRO 28 -29.950 21.769 -6.240 178 HB2 PRO 28 HB2 PRO 28 -27.935 23.309 -5.280 179 HB3 PRO 28 HB3 PRO 28 -29.197 23.987 -6.325 180 HG2 PRO 28 HG2 PRO 28 -28.803 24.358 -3.407 181 HG3 PRO 28 HG3 PRO 28 -29.587 25.431 -4.584 182 HD2 PRO 28 HD2 PRO 28 -30.866 23.571 -2.780 183 HD3 PRO 28 HD3 PRO 28 -31.641 24.628 -3.978 184 HA PRO 29 HA PRO 29 -28.703 19.055 -2.719 185 HB2 PRO 29 HB2 PRO 29 -29.194 16.636 -3.961 186 HB3 PRO 29 HB3 PRO 29 -30.456 17.613 -3.187 187 HG2 PRO 29 HG2 PRO 29 -30.088 17.075 -6.029 188 HG3 PRO 29 HG3 PRO 29 -31.461 17.844 -5.211 189 HD2 PRO 29 HD2 PRO 29 -29.205 19.118 -6.630 190 HD3 PRO 29 HD3 PRO 29 -30.761 19.817 -6.139 191 H ALA 30 H ALA 30 -26.568 19.930 -3.092 192 HA ALA 30 HA ALA 30 -24.660 18.825 -4.882 193 HB1 ALA 30 HB1 ALA 30 -22.979 19.883 -3.404 194 HB2 ALA 30 HB2 ALA 30 -24.237 20.192 -2.203 195 HB3 ALA 30 HB3 ALA 30 -24.308 20.986 -3.776 196 H LEU 31 H LEU 31 -24.531 16.627 -4.894 197 HA LEU 31 HA LEU 31 -24.592 15.034 -2.471 198 HB2 LEU 31 HB2 LEU 31 -24.251 14.167 -5.364 199 HB3 LEU 31 HB3 LEU 31 -24.542 13.094 -4.007 200 HG LEU 31 HG LEU 31 -26.503 15.146 -5.112 201 HD11 LEU 31 HD11 LEU 31 -26.215 13.231 -6.600 202 HD12 LEU 31 HD12 LEU 31 -27.812 13.214 -5.860 203 HD13 LEU 31 HD13 LEU 31 -26.560 12.117 -5.272 204 HD21 LEU 31 HD21 LEU 31 -28.161 14.177 -3.562 205 HD22 LEU 31 HD22 LEU 31 -26.822 14.930 -2.699 206 HD23 LEU 31 HD23 LEU 31 -26.901 13.171 -2.835 207 H ILE 32 H ILE 32 -22.549 16.319 -1.852 208 HA ILE 32 HA ILE 32 -20.094 14.933 -2.671 209 HB ILE 32 HB ILE 32 -20.452 16.959 -0.406 210 HG12 ILE 32 HG12 ILE 32 -21.090 18.015 -2.551 211 HG13 ILE 32 HG13 ILE 32 -19.586 18.696 -1.950 212 HG21 ILE 32 HG21 ILE 32 -17.922 16.015 -1.812 213 HG22 ILE 32 HG22 ILE 32 -18.419 15.592 -0.174 214 HG23 ILE 32 HG23 ILE 32 -17.999 17.259 -0.564 215 HD11 ILE 32 HD11 ILE 32 -19.871 16.678 -4.179 216 HD12 ILE 32 HD12 ILE 32 -18.341 17.330 -3.579 217 HD13 ILE 32 HD13 ILE 32 -19.519 18.397 -4.342 218 H VAL 33 H VAL 33 -19.970 12.919 -1.923 219 HA VAL 33 HA VAL 33 -21.779 11.724 -0.165 220 HB VAL 33 HB VAL 33 -20.336 9.689 -0.314 221 HG11 VAL 33 HG11 VAL 33 -20.726 11.137 -2.961 222 HG12 VAL 33 HG12 VAL 33 -21.938 10.177 -2.108 223 HG13 VAL 33 HG13 VAL 33 -20.499 9.396 -2.764 224 HG21 VAL 33 HG21 VAL 33 -18.366 11.472 -1.813 225 HG22 VAL 33 HG22 VAL 33 -18.246 9.718 -1.645 226 HG23 VAL 33 HG23 VAL 33 -18.103 10.752 -0.221 227 H ASP 34 H ASP 34 -18.668 13.094 0.486 228 HA ASP 34 HA ASP 34 -18.710 12.263 3.326 229 HB2 ASP 34 HB2 ASP 34 -16.314 12.877 3.340 230 HB3 ASP 34 HB3 ASP 34 -16.644 11.677 2.090 231 HA PRO 35 HA PRO 35 -19.087 16.788 4.107 232 HB2 PRO 35 HB2 PRO 35 -19.751 16.719 6.703 233 HB3 PRO 35 HB3 PRO 35 -20.884 16.087 5.488 234 HG2 PRO 35 HG2 PRO 35 -19.074 14.570 7.331 235 HG3 PRO 35 HG3 PRO 35 -20.732 14.195 6.817 236 HD2 PRO 35 HD2 PRO 35 -18.376 13.113 5.677 237 HD3 PRO 35 HD3 PRO 35 -20.004 13.041 4.974 238 H LEU 36 H LEU 36 -16.465 14.971 4.445 239 HA LEU 36 HA LEU 36 -14.954 17.068 5.784 240 HB2 LEU 36 HB2 LEU 36 -13.802 15.718 7.379 241 HB3 LEU 36 HB3 LEU 36 -15.521 15.524 7.641 242 HG LEU 36 HG LEU 36 -13.696 13.456 6.334 243 HD11 LEU 36 HD11 LEU 36 -13.183 13.715 8.703 244 HD12 LEU 36 HD12 LEU 36 -13.951 12.162 8.397 245 HD13 LEU 36 HD13 LEU 36 -14.881 13.475 9.123 246 HD21 LEU 36 HD21 LEU 36 -15.565 11.888 6.539 247 HD22 LEU 36 HD22 LEU 36 -15.985 13.243 5.495 248 HD23 LEU 36 HD23 LEU 36 -16.604 13.179 7.148 249 H MET 37 H MET 37 -14.366 13.751 4.463 250 HA MET 37 HA MET 37 -12.805 14.322 2.270 251 HB2 MET 37 HB2 MET 37 -10.467 14.099 3.008 252 HB3 MET 37 HB3 MET 37 -11.201 15.457 3.850 253 HG2 MET 37 HG2 MET 37 -11.442 14.123 5.877 254 HG3 MET 37 HG3 MET 37 -10.822 12.692 5.046 255 HE1 MET 37 HE1 MET 37 -7.890 13.493 7.492 256 HE2 MET 37 HE2 MET 37 -8.997 12.255 6.898 257 HE3 MET 37 HE3 MET 37 -9.618 13.629 7.819 258 H LYS 38 H LYS 38 -11.894 12.395 1.361 259 HA LYS 38 HA LYS 38 -11.560 10.037 3.127 260 HB2 LYS 38 HB2 LYS 38 -12.000 9.813 0.107 261 HB3 LYS 38 HB3 LYS 38 -11.851 8.503 1.265 262 HG2 LYS 38 HG2 LYS 38 -14.125 8.507 0.733 263 HG3 LYS 38 HG3 LYS 38 -14.076 9.379 2.267 264 HD2 LYS 38 HD2 LYS 38 -15.584 10.484 0.667 265 HD3 LYS 38 HD3 LYS 38 -14.214 11.526 1.057 266 HE2 LYS 38 HE2 LYS 38 -13.131 10.693 -1.101 267 HE3 LYS 38 HE3 LYS 38 -14.675 9.935 -1.486 268 HZ1 LYS 38 HZ1 LYS 38 -14.536 12.067 -2.535 269 HZ2 LYS 38 HZ2 LYS 38 -14.189 12.831 -1.069 270 HZ3 LYS 38 HZ3 LYS 38 -15.711 12.143 -1.323 271 H TYR 39 H TYR 39 -9.537 8.917 2.753 272 HA TYR 39 HA TYR 39 -7.415 10.458 1.594 273 HB2 TYR 39 HB2 TYR 39 -7.401 7.546 2.485 274 HB3 TYR 39 HB3 TYR 39 -5.970 8.487 2.070 275 HD1 TYR 39 HD2 TYR 39 -6.621 11.089 3.470 276 HD2 TYR 39 HD1 TYR 39 -7.026 7.039 4.775 277 HE1 TYR 39 HE2 TYR 39 -6.400 11.818 5.805 278 HE2 TYR 39 HE1 TYR 39 -6.798 7.767 7.108 279 HH TYR 39 HH TYR 39 -6.946 11.057 8.045 280 H ILE 40 H ILE 40 -9.168 7.545 0.683 281 HA ILE 40 HA ILE 40 -9.528 6.380 -1.192 282 HB ILE 40 HB ILE 40 -8.802 9.051 -2.417 283 HG12 ILE 40 HG12 ILE 40 -11.408 7.471 -2.299 284 HG13 ILE 40 HG13 ILE 40 -10.992 8.859 -1.302 285 HG21 ILE 40 HG21 ILE 40 -8.028 7.449 -4.081 286 HG22 ILE 40 HG22 ILE 40 -9.467 8.292 -4.652 287 HG23 ILE 40 HG23 ILE 40 -9.593 6.637 -4.052 288 HD11 ILE 40 HD11 ILE 40 -12.535 9.513 -3.031 289 HD12 ILE 40 HD12 ILE 40 -11.476 8.879 -4.288 290 HD13 ILE 40 HD13 ILE 40 -10.975 10.278 -3.333 291 H CYS 41 H CYS 41 -8.464 5.016 -2.781 292 HA CYS 41 HA CYS 41 -5.650 4.584 -2.304 293 HB2 CYS 41 HB2 CYS 41 -7.120 2.678 -2.573 294 HB3 CYS 41 HB3 CYS 41 -7.629 3.235 -4.156 295 H HIS 42 H HIS 42 -4.203 5.817 -3.245 296 HA HIS 42 HA HIS 42 -4.689 7.825 -5.115 297 HB2 HIS 42 HB2 HIS 42 -2.869 7.652 -3.344 298 HB3 HIS 42 HB3 HIS 42 -1.983 6.614 -4.448 299 HD1 HIS 42 HD1 HIS 42 -0.077 7.973 -5.205 300 HD2 HIS 42 HD2 HIS 42 -3.587 10.196 -5.120 301 HE1 HIS 42 HE1 HIS 42 0.545 10.257 -6.038 302 HE2 HIS 42 HE2 HIS 42 -1.599 11.563 -6.032 303 H ILE 43 H ILE 43 -4.136 4.511 -5.762 304 HA ILE 43 HA ILE 43 -2.980 4.980 -8.436 305 HB ILE 43 HB ILE 43 -3.146 2.399 -6.806 306 HG12 ILE 43 HG12 ILE 43 -0.778 4.215 -7.448 307 HG13 ILE 43 HG13 ILE 43 -1.532 4.033 -5.870 308 HG21 ILE 43 HG21 ILE 43 -1.786 2.879 -9.484 309 HG22 ILE 43 HG22 ILE 43 -3.244 1.922 -9.234 310 HG23 ILE 43 HG23 ILE 43 -1.710 1.385 -8.549 311 HD11 ILE 43 HD11 ILE 43 0.007 1.921 -7.371 312 HD12 ILE 43 HD12 ILE 43 -0.794 1.692 -5.815 313 HD13 ILE 43 HD13 ILE 43 0.543 2.831 -5.959 314 H CYS 44 H CYS 44 -5.828 3.541 -6.791 315 HA CYS 44 HA CYS 44 -6.859 2.642 -9.435 316 HB2 CYS 44 HB2 CYS 44 -8.211 0.987 -8.218 317 HB3 CYS 44 HB3 CYS 44 -6.517 0.840 -7.769 318 H ASN 45 H ASN 45 -7.227 5.189 -7.373 319 HA ASN 45 HA ASN 45 -8.491 7.032 -7.581 320 HB2 ASN 45 HB2 ASN 45 -8.727 6.534 -9.996 321 HB3 ASN 45 HB3 ASN 45 -10.130 5.536 -9.656 322 HD21 ASN 45 HD21 ASN 45 -9.516 8.681 -8.115 323 HD22 ASN 45 HD22 ASN 45 -10.825 9.496 -8.891 324 H ARG 46 H ARG 46 -10.023 4.020 -6.742 325 HA ARG 46 HA ARG 46 -12.107 5.499 -5.225 326 HB2 ARG 46 HB2 ARG 46 -12.194 2.900 -6.724 327 HB3 ARG 46 HB3 ARG 46 -13.039 2.914 -5.184 328 HG2 ARG 46 HG2 ARG 46 -14.598 3.414 -6.945 329 HG3 ARG 46 HG3 ARG 46 -14.380 4.846 -5.943 330 HD2 ARG 46 HD2 ARG 46 -12.844 5.781 -7.691 331 HD3 ARG 46 HD3 ARG 46 -13.177 4.359 -8.694 332 HE ARG 46 HE ARG 46 -15.570 5.664 -7.849 333 HH11 ARG 46 HH11 ARG 46 -13.020 5.929 -10.267 334 HH12 ARG 46 HH12 ARG 46 -14.024 6.792 -11.383 335 HH21 ARG 46 HH21 ARG 46 -16.850 6.781 -9.308 336 HH22 ARG 46 HH22 ARG 46 -16.198 7.275 -10.841 337 H GLY 47 H GLY 47 -12.480 4.988 -3.102 338 HA2 GLY 47 HA2 GLY 47 -10.365 3.549 -1.623 339 HA3 GLY 47 HA3 GLY 47 -11.511 4.708 -0.954 340 H ASP 48 H ASP 48 -12.023 1.899 -3.053 341 HA ASP 48 HA ASP 48 -13.980 0.710 -1.189 342 HB2 ASP 48 HB2 ASP 48 -14.698 -0.660 -3.064 343 HB3 ASP 48 HB3 ASP 48 -14.554 0.994 -3.643 344 H VAL 49 H VAL 49 -13.796 -1.697 -0.847 345 HA VAL 49 HA VAL 49 -12.701 -3.400 0.174 346 HB VAL 49 HB VAL 49 -10.419 -3.006 -1.809 347 HG11 VAL 49 HG11 VAL 49 -10.107 -5.433 -1.616 348 HG12 VAL 49 HG12 VAL 49 -11.457 -5.531 -0.483 349 HG13 VAL 49 HG13 VAL 49 -9.990 -4.659 -0.033 350 HG21 VAL 49 HG21 VAL 49 -12.526 -3.007 -3.087 351 HG22 VAL 49 HG22 VAL 49 -12.996 -4.529 -2.329 352 HG23 VAL 49 HG23 VAL 49 -11.593 -4.473 -3.398 353 H GLU 50 H GLU 50 -12.610 -1.449 1.689 354 HA GLU 50 HA GLU 50 -10.285 0.040 2.194 355 HB2 GLU 50 HB2 GLU 50 -12.666 -0.554 3.986 356 HB3 GLU 50 HB3 GLU 50 -11.463 0.697 4.308 357 HG2 GLU 50 HG2 GLU 50 -12.118 1.954 2.366 358 HG3 GLU 50 HG3 GLU 50 -13.130 0.641 1.770 359 H GLU 51 H GLU 51 -11.199 -3.130 3.242 360 HA GLU 51 HA GLU 51 -9.482 -3.338 5.524 361 HB2 GLU 51 HB2 GLU 51 -10.780 -5.479 3.788 362 HB3 GLU 51 HB3 GLU 51 -9.995 -5.783 5.336 363 HG2 GLU 51 HG2 GLU 51 -11.665 -4.424 6.498 364 HG3 GLU 51 HG3 GLU 51 -12.415 -3.986 4.964 365 H SER 52 H SER 52 -8.897 -3.554 2.109 366 HA SER 52 HA SER 52 -6.410 -5.089 2.445 367 HB2 SER 52 HB2 SER 52 -7.980 -5.737 0.625 368 HB3 SER 52 HB3 SER 52 -7.767 -4.152 -0.115 369 HG SER 52 HG SER 52 -6.179 -6.358 -0.241 370 H MET 53 H MET 53 -7.258 -1.826 2.600 371 HA MET 53 HA MET 53 -4.895 -0.881 1.137 372 HB2 MET 53 HB2 MET 53 -5.641 1.403 1.502 373 HB3 MET 53 HB3 MET 53 -6.948 0.450 0.832 374 HG2 MET 53 HG2 MET 53 -8.020 0.350 3.025 375 HG3 MET 53 HG3 MET 53 -6.688 1.263 3.728 376 HE1 MET 53 HE1 MET 53 -9.580 3.068 0.585 377 HE2 MET 53 HE2 MET 53 -9.728 1.408 1.155 378 HE3 MET 53 HE3 MET 53 -8.353 1.881 0.152 379 H LEU 54 H LEU 54 -3.074 -0.458 2.048 380 HA LEU 54 HA LEU 54 -2.721 -0.464 4.966 381 HB2 LEU 54 HB2 LEU 54 -0.713 -0.648 2.677 382 HB3 LEU 54 HB3 LEU 54 -0.291 -0.699 4.381 383 HG LEU 54 HG LEU 54 -2.031 -2.777 2.989 384 HD11 LEU 54 HD11 LEU 54 0.229 -2.870 2.101 385 HD12 LEU 54 HD12 LEU 54 -0.094 -4.277 3.110 386 HD13 LEU 54 HD13 LEU 54 0.899 -2.953 3.733 387 HD21 LEU 54 HD21 LEU 54 -1.690 -4.126 5.006 388 HD22 LEU 54 HD22 LEU 54 -2.501 -2.607 5.383 389 HD23 LEU 54 HD23 LEU 54 -0.784 -2.806 5.752 390 H LEU 55 H LEU 55 -2.137 1.387 6.015 391 HA LEU 55 HA LEU 55 -2.142 3.921 4.500 392 HB2 LEU 55 HB2 LEU 55 -3.798 3.242 6.484 393 HB3 LEU 55 HB3 LEU 55 -2.462 3.672 7.521 394 HG LEU 55 HG LEU 55 -4.059 5.514 7.411 395 HD11 LEU 55 HD11 LEU 55 -2.674 7.386 6.708 396 HD12 LEU 55 HD12 LEU 55 -1.582 6.287 5.861 397 HD13 LEU 55 HD13 LEU 55 -1.737 6.205 7.618 398 HD21 LEU 55 HD21 LEU 55 -5.099 4.986 5.269 399 HD22 LEU 55 HD22 LEU 55 -3.652 5.524 4.414 400 HD23 LEU 55 HD23 LEU 55 -4.618 6.679 5.337 401 H CYS 56 H CYS 56 -0.300 5.140 4.463 402 HA CYS 56 HA CYS 56 2.152 4.192 5.689 403 HB2 CYS 56 HB2 CYS 56 2.268 5.108 3.447 404 HB3 CYS 56 HB3 CYS 56 1.548 6.629 3.982 405 H ASP 57 H ASP 57 2.670 4.684 7.727 406 HA ASP 57 HA ASP 57 1.308 6.476 9.426 407 HB2 ASP 57 HB2 ASP 57 4.097 5.276 9.806 408 HB3 ASP 57 HB3 ASP 57 3.101 5.974 11.080 409 H GLY 58 H GLY 58 4.315 6.820 7.588 410 HA2 GLY 58 HA2 GLY 58 4.783 9.557 8.510 411 HA3 GLY 58 HA3 GLY 58 5.828 8.599 7.477 412 H CYS 59 H CYS 59 2.451 8.757 6.669 413 HA CYS 59 HA CYS 59 2.606 11.149 5.025 414 HB2 CYS 59 HB2 CYS 59 2.068 8.424 3.774 415 HB3 CYS 59 HB3 CYS 59 1.752 9.951 2.973 416 H ASP 60 H ASP 60 0.197 10.918 3.704 417 HA ASP 60 HA ASP 60 -1.830 10.480 5.838 418 HB2 ASP 60 HB2 ASP 60 -1.946 12.456 3.505 419 HB3 ASP 60 HB3 ASP 60 -3.142 12.297 4.783 420 H ASP 61 H ASP 61 -0.646 9.066 3.121 421 HA ASP 61 HA ASP 61 -3.116 8.855 1.556 422 HB2 ASP 61 HB2 ASP 61 -0.644 9.400 0.654 423 HB3 ASP 61 HB3 ASP 61 -0.471 7.658 0.671 424 H SER 62 H SER 62 -3.897 6.831 0.777 425 HA SER 62 HA SER 62 -3.159 4.393 2.296 426 HB2 SER 62 HB2 SER 62 -5.558 3.674 1.942 427 HB3 SER 62 HB3 SER 62 -5.395 5.103 2.955 428 HG SER 62 HG SER 62 -5.655 5.733 0.312 429 H TYR 63 H TYR 63 -2.411 2.762 1.082 430 HA TYR 63 HA TYR 63 -3.043 2.596 -1.814 431 HB2 TYR 63 HB2 TYR 63 -0.400 2.029 -0.402 432 HB3 TYR 63 HB3 TYR 63 -0.726 1.554 -2.061 433 HD1 TYR 63 HD2 TYR 63 -0.838 3.241 -3.849 434 HD2 TYR 63 HD1 TYR 63 0.081 4.411 0.164 435 HE1 TYR 63 HE2 TYR 63 -0.018 5.403 -4.663 436 HE2 TYR 63 HE1 TYR 63 0.898 6.594 -0.660 437 HH TYR 63 HH TYR 63 1.790 7.546 -2.768 438 H HIS 64 H HIS 64 -4.096 0.722 -2.301 439 HA HIS 64 HA HIS 64 -4.422 -1.457 -0.482 440 HB2 HIS 64 HB2 HIS 64 -4.950 -1.317 -3.483 441 HB3 HIS 64 HB3 HIS 64 -5.374 -2.703 -2.477 442 HD2 HIS 64 HD2 HIS 64 -7.204 -2.011 -0.367 443 HE1 HIS 64 HE1 HIS 64 -8.938 1.032 -2.687 444 HE2 HIS 64 HE2 HIS 64 -9.276 -0.568 -0.768 445 H THR 65 H THR 65 -3.626 -3.571 -0.622 446 HA THR 65 HA THR 65 -0.892 -3.947 -1.139 447 HB THR 65 HB THR 65 -1.378 -6.408 -0.848 448 HG1 THR 65 HG1 THR 65 -4.091 -5.730 -0.398 449 HG21 THR 65 HG21 THR 65 -1.083 -4.994 1.163 450 HG22 THR 65 HG22 THR 65 -2.250 -6.288 1.453 451 HG23 THR 65 HG23 THR 65 -2.811 -4.637 1.167 452 H PHE 66 H PHE 66 -3.752 -4.741 -3.072 453 HA PHE 66 HA PHE 66 -2.291 -5.999 -5.205 454 HB2 PHE 66 HB2 PHE 66 -4.530 -6.164 -6.325 455 HB3 PHE 66 HB3 PHE 66 -4.450 -6.905 -4.735 456 HD1 PHE 66 HD2 PHE 66 -5.874 -4.061 -6.671 457 HD2 PHE 66 HD1 PHE 66 -5.825 -6.086 -2.895 458 HE1 PHE 66 HE2 PHE 66 -7.902 -2.851 -5.985 459 HE2 PHE 66 HE1 PHE 66 -7.865 -4.871 -2.231 460 HZ PHE 66 HZ PHE 66 -8.901 -3.257 -3.772 461 H CYS 67 H CYS 67 -3.595 -2.734 -4.656 462 HA CYS 67 HA CYS 67 -3.505 -1.780 -7.313 463 HB2 CYS 67 HB2 CYS 67 -3.293 -0.272 -4.685 464 HB3 CYS 67 HB3 CYS 67 -3.477 0.509 -6.265 465 H LEU 68 H LEU 68 -1.026 -2.145 -4.895 466 HA LEU 68 HA LEU 68 1.045 -0.720 -6.318 467 HB2 LEU 68 HB2 LEU 68 1.168 -2.740 -4.036 468 HB3 LEU 68 HB3 LEU 68 2.558 -1.838 -4.625 469 HG LEU 68 HG LEU 68 0.071 -0.513 -3.451 470 HD11 LEU 68 HD11 LEU 68 1.156 -1.877 -1.740 471 HD12 LEU 68 HD12 LEU 68 1.322 -0.158 -1.397 472 HD13 LEU 68 HD13 LEU 68 2.695 -1.064 -2.044 473 HD21 LEU 68 HD21 LEU 68 1.468 1.501 -3.291 474 HD22 LEU 68 HD22 LEU 68 1.339 0.948 -4.958 475 HD23 LEU 68 HD23 LEU 68 2.818 0.645 -4.047 476 H LEU 69 H LEU 69 2.493 -1.513 -7.795 477 HA LEU 69 HA LEU 69 2.484 -4.404 -8.467 478 HB2 LEU 69 HB2 LEU 69 2.689 -2.028 -10.368 479 HB3 LEU 69 HB3 LEU 69 3.211 -3.639 -10.815 480 HG LEU 69 HG LEU 69 0.779 -4.408 -10.307 481 HD11 LEU 69 HD11 LEU 69 0.016 -2.437 -9.086 482 HD12 LEU 69 HD12 LEU 69 -0.987 -2.739 -10.501 483 HD13 LEU 69 HD13 LEU 69 0.213 -1.445 -10.531 484 HD21 LEU 69 HD21 LEU 69 1.679 -4.295 -12.579 485 HD22 LEU 69 HD22 LEU 69 1.259 -2.584 -12.682 486 HD23 LEU 69 HD23 LEU 69 -0.014 -3.801 -12.549 487 HA PRO 70 HA PRO 70 3.754 -6.143 -8.519 488 HB2 PRO 70 HB2 PRO 70 5.401 -7.575 -6.861 489 HB3 PRO 70 HB3 PRO 70 5.841 -7.226 -8.546 490 HG2 PRO 70 HG2 PRO 70 6.711 -5.788 -6.055 491 HG3 PRO 70 HG3 PRO 70 7.696 -6.346 -7.426 492 HD2 PRO 70 HD2 PRO 70 6.886 -3.766 -7.221 493 HD3 PRO 70 HD3 PRO 70 7.052 -4.571 -8.798 494 HA PRO 71 HA PRO 71 1.242 -5.415 -4.895 495 HB2 PRO 71 HB2 PRO 71 0.013 -7.890 -4.595 496 HB3 PRO 71 HB3 PRO 71 -0.440 -6.711 -5.842 497 HG2 PRO 71 HG2 PRO 71 1.328 -9.118 -6.100 498 HG3 PRO 71 HG3 PRO 71 0.071 -8.523 -7.208 499 HD2 PRO 71 HD2 PRO 71 2.690 -8.074 -7.688 500 HD3 PRO 71 HD3 PRO 71 1.450 -6.877 -8.117 501 H LEU 72 H LEU 72 1.331 -5.583 -2.708 502 HA LEU 72 HA LEU 72 3.520 -6.954 -1.457 503 HB2 LEU 72 HB2 LEU 72 1.149 -5.566 -0.140 504 HB3 LEU 72 HB3 LEU 72 2.655 -6.023 0.649 505 HG LEU 72 HG LEU 72 2.341 -3.903 -1.516 506 HD11 LEU 72 HD11 LEU 72 2.896 -2.295 0.255 507 HD12 LEU 72 HD12 LEU 72 2.918 -3.598 1.448 508 HD13 LEU 72 HD13 LEU 72 1.415 -3.176 0.620 509 HD21 LEU 72 HD21 LEU 72 4.700 -3.346 -1.098 510 HD22 LEU 72 HD22 LEU 72 4.520 -4.985 -1.712 511 HD23 LEU 72 HD23 LEU 72 4.840 -4.721 0.003 512 H THR 73 H THR 73 3.016 -9.108 -2.145 513 HA THR 73 HA THR 73 0.612 -10.479 -1.406 514 HB THR 73 HB THR 73 1.785 -12.532 -2.154 515 HG1 THR 73 HG1 THR 73 3.967 -12.340 -2.895 516 HG21 THR 73 HG21 THR 73 2.300 -10.180 -4.031 517 HG22 THR 73 HG22 THR 73 0.781 -11.068 -3.890 518 HG23 THR 73 HG23 THR 73 2.222 -11.878 -4.502 519 H SER 74 H SER 74 3.854 -10.095 -0.014 520 HA SER 74 HA SER 74 2.945 -11.209 2.528 521 HB2 SER 74 HB2 SER 74 5.287 -10.626 3.244 522 HB3 SER 74 HB3 SER 74 5.198 -11.765 1.910 523 HG SER 74 HG SER 74 5.856 -9.021 1.836 524 H ILE 75 H ILE 75 1.669 -9.921 3.568 525 HA ILE 75 HA ILE 75 1.719 -7.016 3.462 526 HB ILE 75 HB ILE 75 -0.026 -8.910 5.106 527 HG12 ILE 75 HG12 ILE 75 -0.639 -7.549 2.444 528 HG13 ILE 75 HG13 ILE 75 -0.217 -9.248 2.632 529 HG21 ILE 75 HG21 ILE 75 0.005 -6.631 6.074 530 HG22 ILE 75 HG22 ILE 75 -1.576 -7.003 5.386 531 HG23 ILE 75 HG23 ILE 75 -0.460 -5.955 4.510 532 HD11 ILE 75 HD11 ILE 75 -2.588 -8.988 2.337 533 HD12 ILE 75 HD12 ILE 75 -2.684 -7.889 3.714 534 HD13 ILE 75 HD13 ILE 75 -2.254 -9.585 3.961 535 HA PRO 76 HA PRO 76 4.701 -7.057 6.798 536 HB2 PRO 76 HB2 PRO 76 5.122 -4.402 7.124 537 HB3 PRO 76 HB3 PRO 76 5.555 -5.224 5.611 538 HG2 PRO 76 HG2 PRO 76 3.158 -3.530 6.208 539 HG3 PRO 76 HG3 PRO 76 4.171 -3.566 4.748 540 HD2 PRO 76 HD2 PRO 76 1.732 -4.882 4.996 541 HD3 PRO 76 HD3 PRO 76 2.993 -5.329 3.833 542 H LYS 77 H LYS 77 2.821 -8.001 8.124 543 HA LYS 77 HA LYS 77 2.018 -8.375 10.161 544 HB2 LYS 77 HB2 LYS 77 3.492 -5.858 10.974 545 HB3 LYS 77 HB3 LYS 77 2.685 -6.919 12.121 546 HG2 LYS 77 HG2 LYS 77 4.163 -8.786 11.427 547 HG3 LYS 77 HG3 LYS 77 4.977 -7.718 10.291 548 HD2 LYS 77 HD2 LYS 77 4.941 -7.249 13.297 549 HD3 LYS 77 HD3 LYS 77 6.200 -8.164 12.473 550 HE2 LYS 77 HE2 LYS 77 7.088 -5.986 12.772 551 HE3 LYS 77 HE3 LYS 77 6.634 -6.067 11.074 552 HZ1 LYS 77 HZ1 LYS 77 4.658 -4.785 11.564 553 HZ2 LYS 77 HZ2 LYS 77 6.014 -3.963 12.142 554 HZ3 LYS 77 HZ3 LYS 77 5.009 -4.792 13.215 555 H GLY 78 H GLY 78 1.359 -5.120 8.983 556 HA2 GLY 78 HA2 GLY 78 -1.337 -5.175 8.890 557 HA3 GLY 78 HA3 GLY 78 -1.027 -4.719 10.567 558 H GLU 79 H GLU 79 1.185 -3.173 10.361 559 HA GLU 79 HA GLU 79 0.213 -0.756 8.973 560 HB2 GLU 79 HB2 GLU 79 2.217 0.250 10.499 561 HB3 GLU 79 HB3 GLU 79 0.583 0.033 11.094 562 HG2 GLU 79 HG2 GLU 79 2.248 -0.683 12.743 563 HG3 GLU 79 HG3 GLU 79 1.219 -2.018 12.238 564 H TRP 80 H TRP 80 1.544 0.458 7.597 565 HA TRP 80 HA TRP 80 3.982 -0.810 6.530 566 HB2 TRP 80 HB2 TRP 80 2.204 -1.803 5.242 567 HB3 TRP 80 HB3 TRP 80 1.372 -0.268 5.069 568 HD1 TRP 80 HD1 TRP 80 4.602 -2.019 3.728 569 HE1 TRP 80 HE1 TRP 80 5.026 -1.107 1.358 570 HE3 TRP 80 HE3 TRP 80 0.947 1.545 3.577 571 HZ2 TRP 80 HZ2 TRP 80 3.947 0.852 -0.352 572 HZ3 TRP 80 HZ3 TRP 80 0.702 2.911 1.527 573 HH2 TRP 80 HH2 TRP 80 2.182 2.569 -0.395 574 H LEU 81 H LEU 81 5.439 0.642 5.712 575 HA LEU 81 HA LEU 81 4.711 3.506 5.575 576 HB2 LEU 81 HB2 LEU 81 7.448 2.166 5.616 577 HB3 LEU 81 HB3 LEU 81 7.193 3.898 5.453 578 HG LEU 81 HG LEU 81 6.567 2.185 7.889 579 HD11 LEU 81 HD11 LEU 81 8.244 3.566 9.017 580 HD12 LEU 81 HD12 LEU 81 8.544 4.457 7.523 581 HD13 LEU 81 HD13 LEU 81 8.937 2.738 7.625 582 HD21 LEU 81 HD21 LEU 81 5.971 5.136 7.491 583 HD22 LEU 81 HD22 LEU 81 5.814 4.242 9.005 584 HD23 LEU 81 HD23 LEU 81 4.783 3.835 7.638 585 H CYS 82 H CYS 82 4.713 4.565 3.680 586 HA CYS 82 HA CYS 82 4.597 3.205 1.205 587 HB2 CYS 82 HB2 CYS 82 4.352 5.465 0.227 588 HB3 CYS 82 HB3 CYS 82 3.349 5.297 1.667 589 HA PRO 83 HA PRO 83 8.873 2.954 -0.297 590 HB2 PRO 83 HB2 PRO 83 7.745 4.264 -2.788 591 HB3 PRO 83 HB3 PRO 83 8.787 2.830 -2.639 592 HG2 PRO 83 HG2 PRO 83 6.182 2.534 -3.115 593 HG3 PRO 83 HG3 PRO 83 7.032 1.429 -2.013 594 HD2 PRO 83 HD2 PRO 83 5.130 3.643 -1.357 595 HD3 PRO 83 HD3 PRO 83 5.409 2.103 -0.517 596 H ARG 84 H ARG 84 7.049 5.939 -0.769 597 HA ARG 84 HA ARG 84 9.040 7.788 -1.379 598 HB2 ARG 84 HB2 ARG 84 6.509 8.141 -1.434 599 HB3 ARG 84 HB3 ARG 84 6.559 8.334 0.311 600 HG2 ARG 84 HG2 ARG 84 6.494 10.530 -0.624 601 HG3 ARG 84 HG3 ARG 84 8.149 10.291 -0.054 602 HD2 ARG 84 HD2 ARG 84 8.161 11.359 -2.251 603 HD3 ARG 84 HD3 ARG 84 8.838 9.730 -2.376 604 HE ARG 84 HE ARG 84 5.986 10.050 -2.957 605 HH11 ARG 84 HH11 ARG 84 9.214 9.670 -4.338 606 HH12 ARG 84 HH12 ARG 84 8.611 9.185 -5.889 607 HH21 ARG 84 HH21 ARG 84 5.226 9.392 -4.988 608 HH22 ARG 84 HH22 ARG 84 6.347 9.021 -6.258 609 H CYS 85 H CYS 85 7.740 6.854 1.826 610 HA CYS 85 HA CYS 85 9.316 8.618 3.410 611 HB2 CYS 85 HB2 CYS 85 7.938 5.999 4.165 612 HB3 CYS 85 HB3 CYS 85 8.560 7.195 5.326 613 H VAL 86 H VAL 86 9.772 5.378 2.251 614 HA VAL 86 HA VAL 86 12.045 4.654 3.813 615 HB VAL 86 HB VAL 86 11.060 3.382 1.217 616 HG11 VAL 86 HG11 VAL 86 12.711 2.165 3.469 617 HG12 VAL 86 HG12 VAL 86 13.310 2.586 1.866 618 HG13 VAL 86 HG13 VAL 86 12.116 1.301 2.051 619 HG21 VAL 86 HG21 VAL 86 10.205 2.767 4.069 620 HG22 VAL 86 HG22 VAL 86 9.710 1.865 2.636 621 HG23 VAL 86 HG23 VAL 86 9.214 3.547 2.834 622 H VAL 87 H VAL 87 11.635 6.349 0.727 623 HA VAL 87 HA VAL 87 14.167 6.118 -0.441 624 HB VAL 87 HB VAL 87 12.323 8.555 -0.418 625 HG11 VAL 87 HG11 VAL 87 14.601 9.279 -1.040 626 HG12 VAL 87 HG12 VAL 87 13.510 9.374 -2.422 627 HG13 VAL 87 HG13 VAL 87 14.661 8.042 -2.298 628 HG21 VAL 87 HG21 VAL 87 11.268 6.590 -1.417 629 HG22 VAL 87 HG22 VAL 87 12.643 6.366 -2.495 630 HG23 VAL 87 HG23 VAL 87 11.612 7.788 -2.663 631 H GLU 88 H GLU 88 13.045 8.523 1.920 632 HA GLU 88 HA GLU 88 15.711 9.618 2.347 633 HB2 GLU 88 HB2 GLU 88 13.090 10.228 3.784 634 HB3 GLU 88 HB3 GLU 88 14.591 11.137 3.945 635 HG2 GLU 88 HG2 GLU 88 14.464 11.750 1.536 636 HG3 GLU 88 HG3 GLU 88 12.926 10.893 1.419 637 H GLU 89 H GLU 89 16.533 9.830 4.602 638 HA GLU 89 HA GLU 89 16.869 7.236 5.775 639 HB2 GLU 89 HB2 GLU 89 18.714 8.890 5.619 640 HB3 GLU 89 HB3 GLU 89 17.837 9.977 6.688 641 HG2 GLU 89 HG2 GLU 89 17.982 8.185 8.480 642 HG3 GLU 89 HG3 GLU 89 19.052 7.287 7.409 643 H VAL 90 H VAL 90 15.250 6.394 7.013 644 HA VAL 90 HA VAL 90 13.532 7.884 8.795 645 HB VAL 90 HB VAL 90 12.845 5.754 7.633 646 HG11 VAL 90 HG11 VAL 90 14.933 4.484 7.855 647 HG12 VAL 90 HG12 VAL 90 13.573 3.567 8.500 648 HG13 VAL 90 HG13 VAL 90 14.695 4.366 9.602 649 HG21 VAL 90 HG21 VAL 90 12.618 5.644 10.661 650 HG22 VAL 90 HG22 VAL 90 11.590 4.769 9.522 651 HG23 VAL 90 HG23 VAL 90 11.556 6.534 9.568 652 H SER 91 H SER 91 16.672 6.579 8.952 653 HA SER 91 HA SER 91 18.359 6.705 10.397 654 HB2 SER 91 HB2 SER 91 16.477 8.025 12.376 655 HB3 SER 91 HB3 SER 91 18.235 7.943 12.515 656 HG SER 91 HG SER 91 18.132 9.018 10.313 657 H LYS 92 H LYS 92 17.970 4.369 10.163 658 HA LYS 92 HA LYS 92 17.515 3.032 12.741 659 HB2 LYS 92 HB2 LYS 92 18.207 1.862 10.004 660 HB3 LYS 92 HB3 LYS 92 17.927 0.919 11.463 661 HG2 LYS 92 HG2 LYS 92 15.888 2.633 10.006 662 HG3 LYS 92 HG3 LYS 92 15.928 0.871 10.076 663 HD2 LYS 92 HD2 LYS 92 15.443 0.916 12.480 664 HD3 LYS 92 HD3 LYS 92 15.539 2.679 12.493 665 HE2 LYS 92 HE2 LYS 92 13.209 1.992 12.510 666 HE3 LYS 92 HE3 LYS 92 13.574 2.776 10.975 667 HZ1 LYS 92 HZ1 LYS 92 13.431 -0.160 11.414 668 HZ2 LYS 92 HZ2 LYS 92 13.715 0.612 9.934 669 HZ3 LYS 92 HZ3 LYS 92 12.223 0.783 10.712 670 HA PRO 93 HA PRO 93 21.850 4.071 13.451 671 HB2 PRO 93 HB2 PRO 93 21.622 2.498 15.973 672 HB3 PRO 93 HB3 PRO 93 21.908 4.236 15.757 673 HG2 PRO 93 HG2 PRO 93 19.563 3.337 16.696 674 HG3 PRO 93 HG3 PRO 93 19.637 4.744 15.609 675 HD2 PRO 93 HD2 PRO 93 18.969 1.876 14.924 676 HD3 PRO 93 HD3 PRO 93 18.125 3.366 14.446 677 H GLN 94 H GLN 94 22.586 2.753 11.722 678 HA GLN 94 HA GLN 94 24.642 0.970 12.475 679 HB2 GLN 94 HB2 GLN 94 22.822 -0.718 12.565 680 HB3 GLN 94 HB3 GLN 94 22.318 -0.285 10.936 681 HG2 GLN 94 HG2 GLN 94 23.590 -2.408 10.983 682 HG3 GLN 94 HG3 GLN 94 24.393 -1.183 10.005 683 HE21 GLN 94 HE21 GLN 94 26.384 -0.331 10.726 684 HE22 GLN 94 HE22 GLN 94 27.299 -1.081 11.985 Start of MODEL 11 1 H1 SER 1 H1 SER 1 42.959 35.404 72.517 2 H2 SER 1 H2 SER 1 43.391 36.653 71.472 3 H3 SER 1 H3 SER 1 43.671 35.053 71.024 4 HA SER 1 HA SER 1 41.321 34.612 70.961 5 HB2 SER 1 HB2 SER 1 41.064 37.575 71.641 6 HB3 SER 1 HB3 SER 1 39.718 36.505 71.234 7 HG SER 1 HG SER 1 39.693 35.908 73.235 8 H HIS 2 H HIS 2 39.871 35.391 69.138 9 HA HIS 2 HA HIS 2 41.443 35.839 66.774 10 HB2 HIS 2 HB2 HIS 2 38.414 35.650 67.123 11 HB3 HIS 2 HB3 HIS 2 39.250 35.664 65.575 12 HD2 HIS 2 HD2 HIS 2 41.159 33.346 65.419 13 HE1 HIS 2 HE1 HIS 2 38.406 30.984 67.595 14 HE2 HIS 2 HE2 HIS 2 40.519 30.962 66.204 15 H MET 3 H MET 3 42.353 37.900 67.067 16 HA MET 3 HA MET 3 40.651 40.264 67.246 17 HB2 MET 3 HB2 MET 3 42.840 40.218 68.400 18 HB3 MET 3 HB3 MET 3 43.668 40.030 66.864 19 HG2 MET 3 HG2 MET 3 43.884 42.311 67.617 20 HG3 MET 3 HG3 MET 3 42.848 42.293 66.194 21 HE1 MET 3 HE1 MET 3 40.695 43.722 66.139 22 HE2 MET 3 HE2 MET 3 39.523 43.711 67.457 23 HE3 MET 3 HE3 MET 3 39.953 42.204 66.651 24 H SER 4 H SER 4 39.405 39.912 65.392 25 HA SER 4 HA SER 4 40.525 39.862 62.741 26 HB2 SER 4 HB2 SER 4 37.661 40.389 63.658 27 HB3 SER 4 HB3 SER 4 38.165 40.020 62.009 28 HG SER 4 HG SER 4 39.159 38.097 63.455 29 H GLY 5 H GLY 5 41.853 41.671 62.594 30 HA2 GLY 5 HA2 GLY 5 40.916 44.376 63.142 31 HA3 GLY 5 HA3 GLY 5 42.494 43.899 62.533 32 H GLY 6 H GLY 6 39.094 43.706 61.453 33 HA2 GLY 6 HA2 GLY 6 39.833 44.860 58.822 34 HA3 GLY 6 HA3 GLY 6 38.928 43.348 58.908 35 H SER 7 H SER 7 38.452 46.432 58.244 36 HA SER 7 HA SER 7 36.352 47.274 59.977 37 HB2 SER 7 HB2 SER 7 37.026 48.255 57.164 38 HB3 SER 7 HB3 SER 7 36.060 49.118 58.369 39 HG SER 7 HG SER 7 37.956 49.066 59.722 40 HA PRO 8 HA PRO 8 33.033 44.817 58.075 41 HB2 PRO 8 HB2 PRO 8 31.090 46.555 59.522 42 HB3 PRO 8 HB3 PRO 8 31.433 44.829 59.754 43 HG2 PRO 8 HG2 PRO 8 32.143 46.672 61.592 44 HG3 PRO 8 HG3 PRO 8 33.132 45.221 61.289 45 HD2 PRO 8 HD2 PRO 8 33.542 48.033 60.256 46 HD3 PRO 8 HD3 PRO 8 34.734 46.911 60.954 47 H LEU 9 H LEU 9 32.456 45.129 56.019 48 HA LEU 9 HA LEU 9 30.720 47.297 55.209 49 HB2 LEU 9 HB2 LEU 9 32.164 47.961 53.252 50 HB3 LEU 9 HB3 LEU 9 32.771 48.449 54.817 51 HG LEU 9 HG LEU 9 34.386 46.409 54.659 52 HD11 LEU 9 HD11 LEU 9 33.352 45.190 52.817 53 HD12 LEU 9 HD12 LEU 9 34.992 45.662 52.387 54 HD13 LEU 9 HD13 LEU 9 33.617 46.550 51.728 55 HD21 LEU 9 HD21 LEU 9 36.040 47.678 53.343 56 HD22 LEU 9 HD22 LEU 9 35.158 48.727 54.449 57 HD23 LEU 9 HD23 LEU 9 34.757 48.729 52.732 58 H ALA 10 H ALA 10 29.968 46.980 52.936 59 HA ALA 10 HA ALA 10 30.409 44.510 51.562 60 HB1 ALA 10 HB1 ALA 10 28.879 43.646 53.316 61 HB2 ALA 10 HB2 ALA 10 28.124 43.587 51.725 62 HB3 ALA 10 HB3 ALA 10 27.672 44.855 52.867 63 H THR 11 H THR 11 30.777 45.733 49.761 64 HA THR 11 HA THR 11 29.030 47.843 48.876 65 HB THR 11 HB THR 11 31.313 46.456 47.374 66 HG1 THR 11 HG1 THR 11 31.200 48.635 49.182 67 HG21 THR 11 HG21 THR 11 31.422 48.542 46.044 68 HG22 THR 11 HG22 THR 11 30.003 49.161 46.896 69 HG23 THR 11 HG23 THR 11 29.856 47.748 45.848 70 H GLY 12 H GLY 12 27.007 46.907 48.655 71 HA2 GLY 12 HA2 GLY 12 26.393 44.630 47.037 72 HA3 GLY 12 HA3 GLY 12 25.261 45.853 47.607 73 H THR 13 H THR 13 27.055 44.710 44.954 74 HA THR 13 HA THR 13 26.186 46.912 43.217 75 HB THR 13 HB THR 13 28.463 47.538 43.865 76 HG1 THR 13 HG1 THR 13 28.078 48.045 41.770 77 HG21 THR 13 HG21 THR 13 29.386 44.822 42.845 78 HG22 THR 13 HG22 THR 13 29.391 45.350 44.531 79 HG23 THR 13 HG23 THR 13 30.439 46.142 43.352 80 H THR 14 H THR 14 25.535 46.227 41.242 81 HA THR 14 HA THR 14 26.367 43.822 39.957 82 HB THR 14 HB THR 14 24.877 42.713 41.545 83 HG1 THR 14 HG1 THR 14 23.649 41.619 40.096 84 HG21 THR 14 HG21 THR 14 22.472 43.197 41.746 85 HG22 THR 14 HG22 THR 14 22.632 44.544 40.619 86 HG23 THR 14 HG23 THR 14 23.430 44.623 42.190 87 H ALA 15 H ALA 15 26.324 44.339 37.848 88 HA ALA 15 HA ALA 15 24.676 46.578 36.879 89 HB1 ALA 15 HB1 ALA 15 26.941 45.088 35.487 90 HB2 ALA 15 HB2 ALA 15 27.102 46.615 36.361 91 HB3 ALA 15 HB3 ALA 15 26.125 46.540 34.893 92 H ASN 16 H ASN 16 22.666 45.552 36.833 93 HA ASN 16 HA ASN 16 22.216 43.561 34.674 94 HB2 ASN 16 HB2 ASN 16 20.816 43.760 37.386 95 HB3 ASN 16 HB3 ASN 16 20.209 42.776 36.058 96 HD21 ASN 16 HD21 ASN 16 20.999 41.935 38.718 97 HD22 ASN 16 HD22 ASN 16 22.251 40.770 38.501 98 H THR 17 H THR 17 20.676 44.092 33.244 99 HA THR 17 HA THR 17 18.936 46.442 33.698 100 HB THR 17 HB THR 17 20.279 46.350 31.544 101 HG1 THR 17 HG1 THR 17 18.506 47.624 31.444 102 HG21 THR 17 HG21 THR 17 19.552 44.835 29.725 103 HG22 THR 17 HG22 THR 17 18.424 44.037 30.821 104 HG23 THR 17 HG23 THR 17 20.158 43.903 31.103 105 H ARG 18 H ARG 18 16.614 46.179 33.210 106 HA ARG 18 HA ARG 18 15.642 43.492 33.963 107 HB2 ARG 18 HB2 ARG 18 14.137 46.145 34.016 108 HB3 ARG 18 HB3 ARG 18 13.529 44.598 34.594 109 HG2 ARG 18 HG2 ARG 18 15.727 46.301 35.804 110 HG3 ARG 18 HG3 ARG 18 14.174 45.868 36.516 111 HD2 ARG 18 HD2 ARG 18 16.549 44.044 36.032 112 HD3 ARG 18 HD3 ARG 18 15.915 44.589 37.587 113 HE ARG 18 HE ARG 18 13.919 43.180 36.129 114 HH11 ARG 18 HH11 ARG 18 16.813 42.593 38.067 115 HH12 ARG 18 HH12 ARG 18 16.315 41.000 38.538 116 HH21 ARG 18 HH21 ARG 18 13.297 41.087 36.723 117 HH22 ARG 18 HH22 ARG 18 14.313 40.143 37.767 118 H GLY 19 H GLY 19 15.000 42.238 32.389 119 HA2 GLY 19 HA2 GLY 19 13.119 42.982 30.383 120 HA3 GLY 19 HA3 GLY 19 14.738 42.840 29.700 121 H ALA 20 H ALA 20 11.976 41.173 30.054 122 HA ALA 20 HA ALA 20 13.203 38.605 29.510 123 HB1 ALA 20 HB1 ALA 20 13.228 38.583 31.977 124 HB2 ALA 20 HB2 ALA 20 12.097 37.381 31.358 125 HB3 ALA 20 HB3 ALA 20 11.493 38.904 32.020 126 H SER 21 H SER 21 11.272 40.646 28.348 127 HA SER 21 HA SER 21 8.627 39.607 28.309 128 HB2 SER 21 HB2 SER 21 9.995 41.471 26.319 129 HB3 SER 21 HB3 SER 21 8.253 41.217 26.446 130 HG SER 21 HG SER 21 9.467 43.059 27.644 131 H GLN 22 H GLN 22 11.372 38.369 26.835 132 HA GLN 22 HA GLN 22 10.079 37.131 24.537 133 HB2 GLN 22 HB2 GLN 22 12.445 36.079 24.271 134 HB3 GLN 22 HB3 GLN 22 12.264 37.806 24.022 135 HG2 GLN 22 HG2 GLN 22 14.286 37.472 25.221 136 HG3 GLN 22 HG3 GLN 22 13.132 38.199 26.324 137 HE21 GLN 22 HE21 GLN 22 12.332 36.932 28.058 138 HE22 GLN 22 HE22 GLN 22 13.152 35.512 28.585 139 H LYS 23 H LYS 23 9.560 36.426 27.573 140 HA LYS 23 HA LYS 23 10.306 33.909 28.324 141 HB2 LYS 23 HB2 LYS 23 7.796 35.520 28.783 142 HB3 LYS 23 HB3 LYS 23 7.841 33.877 29.387 143 HG2 LYS 23 HG2 LYS 23 10.129 35.644 30.169 144 HG3 LYS 23 HG3 LYS 23 8.555 36.027 30.859 145 HD2 LYS 23 HD2 LYS 23 9.837 34.579 32.367 146 HD3 LYS 23 HD3 LYS 23 8.383 33.760 31.799 147 HE2 LYS 23 HE2 LYS 23 9.728 32.469 30.196 148 HE3 LYS 23 HE3 LYS 23 11.186 33.317 30.718 149 HZ1 LYS 23 HZ1 LYS 23 10.962 31.131 31.761 150 HZ2 LYS 23 HZ2 LYS 23 9.497 31.600 32.462 151 HZ3 LYS 23 HZ3 LYS 23 10.934 32.363 32.910 152 H LYS 24 H LYS 24 7.080 34.424 26.803 153 HA LYS 24 HA LYS 24 6.852 31.520 26.438 154 HB2 LYS 24 HB2 LYS 24 4.431 31.986 26.101 155 HB3 LYS 24 HB3 LYS 24 5.040 32.602 27.630 156 HG2 LYS 24 HG2 LYS 24 5.117 34.889 26.667 157 HG3 LYS 24 HG3 LYS 24 4.463 34.260 25.152 158 HD2 LYS 24 HD2 LYS 24 2.389 33.600 26.284 159 HD3 LYS 24 HD3 LYS 24 3.051 34.094 27.845 160 HE2 LYS 24 HE2 LYS 24 1.520 35.801 27.039 161 HE3 LYS 24 HE3 LYS 24 3.161 36.446 27.019 162 HZ1 LYS 24 HZ1 LYS 24 1.893 37.009 25.018 163 HZ2 LYS 24 HZ2 LYS 24 1.730 35.369 24.646 164 HZ3 LYS 24 HZ3 LYS 24 3.259 36.084 24.653 165 H GLY 25 H GLY 25 5.566 30.776 24.483 166 HA2 GLY 25 HA2 GLY 25 5.910 32.303 22.022 167 HA3 GLY 25 HA3 GLY 25 6.842 30.808 22.133 168 H GLY 26 H GLY 26 4.531 31.662 20.418 169 HA2 GLY 26 HA2 GLY 26 2.190 30.198 21.252 170 HA3 GLY 26 HA3 GLY 26 2.451 30.994 19.705 171 H GLU 27 H GLU 27 3.042 28.083 21.560 172 HA GLU 27 HA GLU 27 4.085 26.530 19.325 173 HB2 GLU 27 HB2 GLU 27 3.382 25.696 22.179 174 HB3 GLU 27 HB3 GLU 27 4.196 24.673 20.994 175 HG2 GLU 27 HG2 GLU 27 6.091 26.286 20.934 176 HG3 GLU 27 HG3 GLU 27 5.268 27.265 22.149 177 HA PRO 28 HA PRO 28 -0.307 25.606 18.363 178 HB2 PRO 28 HB2 PRO 28 -0.013 25.009 15.741 179 HB3 PRO 28 HB3 PRO 28 0.233 26.669 16.323 180 HG2 PRO 28 HG2 PRO 28 2.290 24.595 15.636 181 HG3 PRO 28 HG3 PRO 28 2.272 26.332 15.255 182 HD2 PRO 28 HD2 PRO 28 3.664 25.204 17.388 183 HD3 PRO 28 HD3 PRO 28 3.179 26.910 17.292 184 HA PRO 29 HA PRO 29 -0.343 21.053 18.724 185 HB2 PRO 29 HB2 PRO 29 -3.127 21.054 17.656 186 HB3 PRO 29 HB3 PRO 29 -2.549 20.630 19.280 187 HG2 PRO 29 HG2 PRO 29 -3.973 22.872 18.845 188 HG3 PRO 29 HG3 PRO 29 -2.674 22.812 20.060 189 HD2 PRO 29 HD2 PRO 29 -2.566 23.915 17.244 190 HD3 PRO 29 HD3 PRO 29 -1.979 24.644 18.760 191 H ALA 30 H ALA 30 0.234 19.398 17.375 192 HA ALA 30 HA ALA 30 0.440 19.795 14.531 193 HB1 ALA 30 HB1 ALA 30 1.017 17.319 16.202 194 HB2 ALA 30 HB2 ALA 30 2.181 18.570 15.753 195 HB3 ALA 30 HB3 ALA 30 1.462 17.547 14.508 196 H LEU 31 H LEU 31 -1.488 19.835 13.478 197 HA LEU 31 HA LEU 31 -3.554 17.774 14.008 198 HB2 LEU 31 HB2 LEU 31 -3.814 20.453 12.574 199 HB3 LEU 31 HB3 LEU 31 -5.133 19.351 12.947 200 HG LEU 31 HG LEU 31 -3.456 20.887 14.975 201 HD11 LEU 31 HD11 LEU 31 -5.524 22.114 15.454 202 HD12 LEU 31 HD12 LEU 31 -6.353 21.241 14.162 203 HD13 LEU 31 HD13 LEU 31 -5.014 22.326 13.780 204 HD21 LEU 31 HD21 LEU 31 -5.011 20.013 16.681 205 HD22 LEU 31 HD22 LEU 31 -4.089 18.728 15.909 206 HD23 LEU 31 HD23 LEU 31 -5.775 18.989 15.461 207 H ILE 32 H ILE 32 -4.784 16.990 12.124 208 HA ILE 32 HA ILE 32 -3.109 16.273 9.854 209 HB ILE 32 HB ILE 32 -5.153 14.959 9.094 210 HG12 ILE 32 HG12 ILE 32 -6.325 16.018 11.713 211 HG13 ILE 32 HG13 ILE 32 -6.956 16.261 10.091 212 HG21 ILE 32 HG21 ILE 32 -4.933 13.197 10.803 213 HG22 ILE 32 HG22 ILE 32 -4.169 14.348 11.902 214 HG23 ILE 32 HG23 ILE 32 -3.364 13.899 10.398 215 HD11 ILE 32 HD11 ILE 32 -6.933 13.674 11.642 216 HD12 ILE 32 HD12 ILE 32 -7.465 13.845 9.966 217 HD13 ILE 32 HD13 ILE 32 -8.325 14.686 11.255 218 H VAL 33 H VAL 33 -3.383 16.924 7.734 219 HA VAL 33 HA VAL 33 -4.721 19.437 7.246 220 HB VAL 33 HB VAL 33 -3.859 19.227 4.892 221 HG11 VAL 33 HG11 VAL 33 -1.762 18.822 7.057 222 HG12 VAL 33 HG12 VAL 33 -2.518 20.355 6.613 223 HG13 VAL 33 HG13 VAL 33 -1.483 19.519 5.457 224 HG21 VAL 33 HG21 VAL 33 -2.276 17.419 4.324 225 HG22 VAL 33 HG22 VAL 33 -3.879 16.773 4.670 226 HG23 VAL 33 HG23 VAL 33 -2.598 16.636 5.875 227 H ASP 34 H ASP 34 -5.487 16.076 6.682 228 HA ASP 34 HA ASP 34 -7.997 16.870 5.322 229 HB2 ASP 34 HB2 ASP 34 -8.162 14.630 4.402 230 HB3 ASP 34 HB3 ASP 34 -6.599 15.308 3.993 231 HA PRO 35 HA PRO 35 -9.421 16.127 9.608 232 HB2 PRO 35 HB2 PRO 35 -11.929 17.275 9.287 233 HB3 PRO 35 HB3 PRO 35 -10.443 18.207 9.566 234 HG2 PRO 35 HG2 PRO 35 -11.839 17.638 6.968 235 HG3 PRO 35 HG3 PRO 35 -11.150 19.164 7.567 236 HD2 PRO 35 HD2 PRO 35 -9.816 17.635 5.791 237 HD3 PRO 35 HD3 PRO 35 -8.961 18.541 7.061 238 H LEU 36 H LEU 36 -11.026 15.035 6.666 239 HA LEU 36 HA LEU 36 -12.963 13.366 8.045 240 HB2 LEU 36 HB2 LEU 36 -12.285 13.649 5.092 241 HB3 LEU 36 HB3 LEU 36 -13.478 12.514 5.690 242 HG LEU 36 HG LEU 36 -14.720 14.368 4.888 243 HD11 LEU 36 HD11 LEU 36 -14.582 14.739 7.887 244 HD12 LEU 36 HD12 LEU 36 -15.533 13.523 7.032 245 HD13 LEU 36 HD13 LEU 36 -15.900 15.233 6.821 246 HD21 LEU 36 HD21 LEU 36 -12.940 16.027 4.691 247 HD22 LEU 36 HD22 LEU 36 -12.924 16.256 6.441 248 HD23 LEU 36 HD23 LEU 36 -14.346 16.721 5.500 249 H MET 37 H MET 37 -9.693 13.012 7.213 250 HA MET 37 HA MET 37 -8.205 11.336 7.059 251 HB2 MET 37 HB2 MET 37 -10.167 9.843 8.849 252 HB3 MET 37 HB3 MET 37 -8.497 9.373 8.559 253 HG2 MET 37 HG2 MET 37 -7.808 11.600 9.555 254 HG3 MET 37 HG3 MET 37 -9.491 11.823 10.029 255 HE1 MET 37 HE1 MET 37 -6.238 9.670 10.496 256 HE2 MET 37 HE2 MET 37 -7.394 8.462 9.933 257 HE3 MET 37 HE3 MET 37 -6.798 8.410 11.594 258 H LYS 38 H LYS 38 -8.819 11.291 4.781 259 HA LYS 38 HA LYS 38 -10.625 9.173 3.907 260 HB2 LYS 38 HB2 LYS 38 -9.156 11.340 2.361 261 HB3 LYS 38 HB3 LYS 38 -10.217 10.149 1.614 262 HG2 LYS 38 HG2 LYS 38 -11.018 12.262 3.644 263 HG3 LYS 38 HG3 LYS 38 -11.394 12.262 1.919 264 HD2 LYS 38 HD2 LYS 38 -12.395 10.242 3.965 265 HD3 LYS 38 HD3 LYS 38 -13.334 11.563 3.273 266 HE2 LYS 38 HE2 LYS 38 -13.268 10.550 1.078 267 HE3 LYS 38 HE3 LYS 38 -12.131 9.315 1.622 268 HZ1 LYS 38 HZ1 LYS 38 -14.401 8.474 1.480 269 HZ2 LYS 38 HZ2 LYS 38 -14.915 9.620 2.609 270 HZ3 LYS 38 HZ3 LYS 38 -13.828 8.417 3.070 271 H TYR 39 H TYR 39 -9.739 7.208 4.039 272 HA TYR 39 HA TYR 39 -7.091 6.564 3.081 273 HB2 TYR 39 HB2 TYR 39 -9.426 4.708 3.761 274 HB3 TYR 39 HB3 TYR 39 -7.756 4.208 3.493 275 HD1 TYR 39 HD2 TYR 39 -5.983 4.842 5.167 276 HD2 TYR 39 HD1 TYR 39 -10.125 5.592 5.911 277 HE1 TYR 39 HE2 TYR 39 -5.503 5.169 7.555 278 HE2 TYR 39 HE1 TYR 39 -9.636 5.913 8.296 279 HH TYR 39 HH TYR 39 -6.460 6.282 9.486 280 H ILE 40 H ILE 40 -7.311 7.579 1.032 281 HA ILE 40 HA ILE 40 -8.933 6.157 -0.993 282 HB ILE 40 HB ILE 40 -7.599 8.904 -1.025 283 HG12 ILE 40 HG12 ILE 40 -10.539 8.115 -1.221 284 HG13 ILE 40 HG13 ILE 40 -9.751 8.738 0.223 285 HG21 ILE 40 HG21 ILE 40 -9.079 7.584 -3.324 286 HG22 ILE 40 HG22 ILE 40 -7.347 7.911 -3.261 287 HG23 ILE 40 HG23 ILE 40 -8.492 9.250 -3.291 288 HD11 ILE 40 HD11 ILE 40 -11.036 10.468 -0.822 289 HD12 ILE 40 HD12 ILE 40 -10.204 10.238 -2.360 290 HD13 ILE 40 HD13 ILE 40 -9.325 10.863 -0.959 291 H CYS 41 H CYS 41 -7.885 4.728 -2.217 292 HA CYS 41 HA CYS 41 -5.053 4.374 -2.215 293 HB2 CYS 41 HB2 CYS 41 -6.652 2.508 -2.478 294 HB3 CYS 41 HB3 CYS 41 -7.192 3.191 -4.017 295 H HIS 42 H HIS 42 -3.723 5.689 -3.257 296 HA HIS 42 HA HIS 42 -4.607 7.686 -5.098 297 HB2 HIS 42 HB2 HIS 42 -1.837 6.943 -4.094 298 HB3 HIS 42 HB3 HIS 42 -2.103 8.273 -5.211 299 HD1 HIS 42 HD1 HIS 42 -0.923 9.571 -3.161 300 HD2 HIS 42 HD2 HIS 42 -4.834 8.314 -2.555 301 HE1 HIS 42 HE1 HIS 42 -1.788 10.962 -1.266 302 HE2 HIS 42 HE2 HIS 42 -4.191 10.279 -1.013 303 H ILE 43 H ILE 43 -4.080 4.508 -5.829 304 HA ILE 43 HA ILE 43 -3.302 5.077 -8.629 305 HB ILE 43 HB ILE 43 -2.997 2.467 -7.051 306 HG12 ILE 43 HG12 ILE 43 -0.921 4.360 -8.264 307 HG13 ILE 43 HG13 ILE 43 -1.297 4.212 -6.554 308 HG21 ILE 43 HG21 ILE 43 -2.353 2.970 -9.989 309 HG22 ILE 43 HG22 ILE 43 -3.634 1.924 -9.372 310 HG23 ILE 43 HG23 ILE 43 -1.942 1.508 -9.090 311 HD11 ILE 43 HD11 ILE 43 0.767 3.095 -7.099 312 HD12 ILE 43 HD12 ILE 43 -0.060 2.075 -8.278 313 HD13 ILE 43 HD13 ILE 43 -0.442 1.932 -6.559 314 H CYS 44 H CYS 44 -5.788 3.764 -6.515 315 HA CYS 44 HA CYS 44 -7.294 2.566 -8.760 316 HB2 CYS 44 HB2 CYS 44 -7.859 2.472 -5.755 317 HB3 CYS 44 HB3 CYS 44 -8.682 1.537 -7.016 318 H ASN 45 H ASN 45 -7.240 5.406 -6.813 319 HA ASN 45 HA ASN 45 -8.563 7.154 -6.379 320 HB2 ASN 45 HB2 ASN 45 -9.115 7.270 -8.784 321 HB3 ASN 45 HB3 ASN 45 -10.440 6.131 -8.553 322 HD21 ASN 45 HD21 ASN 45 -12.363 6.874 -7.563 323 HD22 ASN 45 HD22 ASN 45 -12.690 8.552 -7.318 324 H ARG 46 H ARG 46 -10.549 4.247 -6.810 325 HA ARG 46 HA ARG 46 -12.396 4.888 -4.720 326 HB2 ARG 46 HB2 ARG 46 -13.179 2.489 -5.120 327 HB3 ARG 46 HB3 ARG 46 -13.275 3.583 -6.493 328 HG2 ARG 46 HG2 ARG 46 -11.136 2.587 -7.368 329 HG3 ARG 46 HG3 ARG 46 -11.195 1.410 -6.054 330 HD2 ARG 46 HD2 ARG 46 -13.221 0.439 -6.920 331 HD3 ARG 46 HD3 ARG 46 -13.427 1.744 -8.088 332 HE ARG 46 HE ARG 46 -10.967 0.575 -8.656 333 HH11 ARG 46 HH11 ARG 46 -14.317 -0.529 -8.634 334 HH12 ARG 46 HH12 ARG 46 -14.048 -1.708 -9.873 335 HH21 ARG 46 HH21 ARG 46 -10.666 -0.952 -10.326 336 HH22 ARG 46 HH22 ARG 46 -11.995 -1.946 -10.826 337 H GLY 47 H GLY 47 -12.184 4.535 -2.600 338 HA2 GLY 47 HA2 GLY 47 -10.086 2.774 -1.494 339 HA3 GLY 47 HA3 GLY 47 -11.010 3.981 -0.608 340 H ASP 48 H ASP 48 -12.090 1.495 -2.810 341 HA ASP 48 HA ASP 48 -14.408 0.763 -1.389 342 HB2 ASP 48 HB2 ASP 48 -14.206 0.605 -3.849 343 HB3 ASP 48 HB3 ASP 48 -12.940 -0.608 -3.702 344 H VAL 49 H VAL 49 -11.383 -0.992 -2.007 345 HA VAL 49 HA VAL 49 -11.981 -2.990 0.050 346 HB VAL 49 HB VAL 49 -9.519 -2.878 -1.759 347 HG11 VAL 49 HG11 VAL 49 -10.811 -5.197 -0.272 348 HG12 VAL 49 HG12 VAL 49 -9.334 -4.358 0.207 349 HG13 VAL 49 HG13 VAL 49 -9.369 -5.295 -1.290 350 HG21 VAL 49 HG21 VAL 49 -10.642 -4.414 -3.294 351 HG22 VAL 49 HG22 VAL 49 -11.567 -2.915 -3.160 352 HG23 VAL 49 HG23 VAL 49 -12.110 -4.367 -2.315 353 H GLU 50 H GLU 50 -11.841 -1.264 1.734 354 HA GLU 50 HA GLU 50 -9.389 0.096 2.313 355 HB2 GLU 50 HB2 GLU 50 -11.642 0.901 3.044 356 HB3 GLU 50 HB3 GLU 50 -11.751 -0.455 4.164 357 HG2 GLU 50 HG2 GLU 50 -9.685 0.429 5.319 358 HG3 GLU 50 HG3 GLU 50 -9.763 1.843 4.266 359 H GLU 51 H GLU 51 -10.759 -2.999 3.278 360 HA GLU 51 HA GLU 51 -9.166 -3.579 5.531 361 HB2 GLU 51 HB2 GLU 51 -10.481 -5.485 3.559 362 HB3 GLU 51 HB3 GLU 51 -9.902 -5.927 5.163 363 HG2 GLU 51 HG2 GLU 51 -11.594 -4.584 6.232 364 HG3 GLU 51 HG3 GLU 51 -12.068 -3.847 4.700 365 H SER 52 H SER 52 -8.539 -4.110 2.063 366 HA SER 52 HA SER 52 -5.925 -5.381 2.676 367 HB2 SER 52 HB2 SER 52 -7.572 -6.476 1.016 368 HB3 SER 52 HB3 SER 52 -7.223 -5.142 -0.079 369 HG SER 52 HG SER 52 -4.968 -5.799 0.089 370 H MET 53 H MET 53 -6.769 -2.448 2.832 371 HA MET 53 HA MET 53 -4.702 -1.234 1.096 372 HB2 MET 53 HB2 MET 53 -6.939 -0.204 0.920 373 HB3 MET 53 HB3 MET 53 -6.994 0.049 2.656 374 HG2 MET 53 HG2 MET 53 -5.029 1.591 2.431 375 HG3 MET 53 HG3 MET 53 -5.142 1.403 0.679 376 HE1 MET 53 HE1 MET 53 -8.407 1.269 0.358 377 HE2 MET 53 HE2 MET 53 -7.333 2.151 -0.732 378 HE3 MET 53 HE3 MET 53 -8.710 2.969 0.004 379 H LEU 54 H LEU 54 -2.969 -0.290 2.012 380 HA LEU 54 HA LEU 54 -2.584 -0.438 4.927 381 HB2 LEU 54 HB2 LEU 54 -0.546 -0.374 2.669 382 HB3 LEU 54 HB3 LEU 54 -0.146 -0.397 4.381 383 HG LEU 54 HG LEU 54 -1.584 -2.641 2.902 384 HD11 LEU 54 HD11 LEU 54 1.293 -2.481 3.851 385 HD12 LEU 54 HD12 LEU 54 0.740 -2.431 2.175 386 HD13 LEU 54 HD13 LEU 54 0.513 -3.894 3.130 387 HD21 LEU 54 HD21 LEU 54 -1.195 -3.965 4.940 388 HD22 LEU 54 HD22 LEU 54 -2.224 -2.571 5.260 389 HD23 LEU 54 HD23 LEU 54 -0.525 -2.542 5.746 390 H LEU 55 H LEU 55 -1.332 1.280 5.896 391 HA LEU 55 HA LEU 55 -1.681 3.943 4.668 392 HB2 LEU 55 HB2 LEU 55 -3.559 3.332 6.255 393 HB3 LEU 55 HB3 LEU 55 -2.387 3.172 7.543 394 HG LEU 55 HG LEU 55 -3.791 5.296 7.545 395 HD11 LEU 55 HD11 LEU 55 -2.045 6.813 8.247 396 HD12 LEU 55 HD12 LEU 55 -0.814 5.788 7.505 397 HD13 LEU 55 HD13 LEU 55 -1.754 5.189 8.873 398 HD21 LEU 55 HD21 LEU 55 -3.224 7.139 6.047 399 HD22 LEU 55 HD22 LEU 55 -3.803 5.746 5.135 400 HD23 LEU 55 HD23 LEU 55 -2.076 6.113 5.179 401 H CYS 56 H CYS 56 -0.023 5.355 5.106 402 HA CYS 56 HA CYS 56 2.485 4.210 5.949 403 HB2 CYS 56 HB2 CYS 56 1.786 6.954 4.874 404 HB3 CYS 56 HB3 CYS 56 3.437 6.403 5.212 405 H ASP 57 H ASP 57 3.266 4.314 7.952 406 HA ASP 57 HA ASP 57 2.324 5.967 10.050 407 HB2 ASP 57 HB2 ASP 57 3.509 3.769 10.380 408 HB3 ASP 57 HB3 ASP 57 5.008 4.497 9.820 409 H GLY 58 H GLY 58 4.836 6.350 7.621 410 HA2 GLY 58 HA2 GLY 58 6.066 8.692 8.866 411 HA3 GLY 58 HA3 GLY 58 6.550 7.911 7.365 412 H CYS 59 H CYS 59 5.081 8.185 5.486 413 HA CYS 59 HA CYS 59 4.485 11.011 5.121 414 HB2 CYS 59 HB2 CYS 59 4.272 10.405 2.737 415 HB3 CYS 59 HB3 CYS 59 5.756 9.697 3.425 416 H ASP 60 H ASP 60 2.454 11.309 3.443 417 HA ASP 60 HA ASP 60 0.061 10.235 4.824 418 HB2 ASP 60 HB2 ASP 60 0.314 12.588 5.300 419 HB3 ASP 60 HB3 ASP 60 0.745 12.962 3.642 420 H ASP 61 H ASP 61 -0.543 8.589 3.546 421 HA ASP 61 HA ASP 61 -1.980 9.015 1.148 422 HB2 ASP 61 HB2 ASP 61 -0.592 7.506 -0.420 423 HB3 ASP 61 HB3 ASP 61 0.033 9.119 -0.132 424 H SER 62 H SER 62 -2.934 7.021 0.369 425 HA SER 62 HA SER 62 -2.534 4.607 1.988 426 HB2 SER 62 HB2 SER 62 -5.219 5.649 0.970 427 HB3 SER 62 HB3 SER 62 -4.969 4.163 1.889 428 HG SER 62 HG SER 62 -3.884 6.066 3.311 429 H TYR 63 H TYR 63 -2.584 2.661 0.863 430 HA TYR 63 HA TYR 63 -3.077 2.615 -2.035 431 HB2 TYR 63 HB2 TYR 63 -0.395 1.951 -0.744 432 HB3 TYR 63 HB3 TYR 63 -0.843 1.330 -2.326 433 HD1 TYR 63 HD2 TYR 63 -1.222 2.943 -4.233 434 HD2 TYR 63 HD1 TYR 63 0.418 4.228 -0.497 435 HE1 TYR 63 HE2 TYR 63 -0.414 5.006 -5.283 436 HE2 TYR 63 HE1 TYR 63 1.214 6.300 -1.564 437 HH TYR 63 HH TYR 63 1.774 7.137 -3.748 438 H HIS 64 H HIS 64 -3.886 0.645 -2.704 439 HA HIS 64 HA HIS 64 -4.390 -1.464 -0.776 440 HB2 HIS 64 HB2 HIS 64 -4.669 -1.586 -3.813 441 HB3 HIS 64 HB3 HIS 64 -5.296 -2.765 -2.667 442 HD2 HIS 64 HD2 HIS 64 -7.140 -1.299 -0.764 443 HE1 HIS 64 HE1 HIS 64 -8.770 0.604 -4.162 444 HE2 HIS 64 HE2 HIS 64 -9.205 -0.119 -1.778 445 H THR 65 H THR 65 -3.318 -3.433 -0.667 446 HA THR 65 HA THR 65 -0.578 -3.631 -1.238 447 HB THR 65 HB THR 65 -0.901 -6.085 -0.657 448 HG1 THR 65 HG1 THR 65 -2.925 -6.865 -0.355 449 HG21 THR 65 HG21 THR 65 -2.285 -4.105 1.191 450 HG22 THR 65 HG22 THR 65 -0.555 -4.456 1.161 451 HG23 THR 65 HG23 THR 65 -1.697 -5.703 1.658 452 H PHE 66 H PHE 66 -3.369 -5.063 -2.878 453 HA PHE 66 HA PHE 66 -1.908 -6.457 -4.872 454 HB2 PHE 66 HB2 PHE 66 -4.147 -6.843 -5.929 455 HB3 PHE 66 HB3 PHE 66 -4.069 -7.289 -4.237 456 HD1 PHE 66 HD2 PHE 66 -5.484 -4.862 -6.657 457 HD2 PHE 66 HD1 PHE 66 -5.453 -6.158 -2.574 458 HE1 PHE 66 HE2 PHE 66 -7.517 -3.545 -6.218 459 HE2 PHE 66 HE1 PHE 66 -7.489 -4.843 -2.151 460 HZ PHE 66 HZ PHE 66 -8.518 -3.535 -3.968 461 H CYS 67 H CYS 67 -2.971 -3.112 -4.716 462 HA CYS 67 HA CYS 67 -2.704 -2.766 -7.651 463 HB2 CYS 67 HB2 CYS 67 -3.766 -0.629 -7.426 464 HB3 CYS 67 HB3 CYS 67 -4.707 -1.777 -6.490 465 H LEU 68 H LEU 68 -0.522 -3.118 -5.577 466 HA LEU 68 HA LEU 68 1.196 -0.830 -6.353 467 HB2 LEU 68 HB2 LEU 68 1.377 -2.826 -4.062 468 HB3 LEU 68 HB3 LEU 68 2.719 -1.774 -4.493 469 HG LEU 68 HG LEU 68 -0.029 -0.716 -3.696 470 HD11 LEU 68 HD11 LEU 68 2.433 -1.046 -1.936 471 HD12 LEU 68 HD12 LEU 68 0.933 -1.970 -1.809 472 HD13 LEU 68 HD13 LEU 68 0.929 -0.238 -1.480 473 HD21 LEU 68 HD21 LEU 68 1.319 0.828 -5.035 474 HD22 LEU 68 HD22 LEU 68 2.680 0.648 -3.922 475 HD23 LEU 68 HD23 LEU 68 1.180 1.405 -3.376 476 H LEU 69 H LEU 69 3.380 -1.332 -7.057 477 HA LEU 69 HA LEU 69 3.828 -4.105 -7.998 478 HB2 LEU 69 HB2 LEU 69 4.378 -1.528 -9.508 479 HB3 LEU 69 HB3 LEU 69 5.124 -3.058 -9.950 480 HG LEU 69 HG LEU 69 2.128 -2.496 -9.950 481 HD11 LEU 69 HD11 LEU 69 3.264 -1.317 -11.767 482 HD12 LEU 69 HD12 LEU 69 2.273 -2.633 -12.390 483 HD13 LEU 69 HD13 LEU 69 4.027 -2.821 -12.292 484 HD21 LEU 69 HD21 LEU 69 2.586 -4.837 -9.409 485 HD22 LEU 69 HD22 LEU 69 3.623 -4.987 -10.830 486 HD23 LEU 69 HD23 LEU 69 1.893 -4.693 -11.022 487 HA PRO 70 HA PRO 70 5.041 -5.712 -7.690 488 HB2 PRO 70 HB2 PRO 70 6.235 -7.264 -5.785 489 HB3 PRO 70 HB3 PRO 70 7.111 -6.713 -7.227 490 HG2 PRO 70 HG2 PRO 70 7.179 -5.580 -4.445 491 HG3 PRO 70 HG3 PRO 70 8.525 -5.918 -5.559 492 HD2 PRO 70 HD2 PRO 70 7.459 -3.410 -5.255 493 HD3 PRO 70 HD3 PRO 70 8.202 -3.965 -6.770 494 HA PRO 71 HA PRO 71 1.592 -5.346 -4.831 495 HB2 PRO 71 HB2 PRO 71 0.238 -7.689 -5.374 496 HB3 PRO 71 HB3 PRO 71 0.259 -6.304 -6.488 497 HG2 PRO 71 HG2 PRO 71 1.924 -8.801 -6.566 498 HG3 PRO 71 HG3 PRO 71 1.087 -7.966 -7.896 499 HD2 PRO 71 HD2 PRO 71 3.745 -7.659 -7.477 500 HD3 PRO 71 HD3 PRO 71 2.736 -6.332 -8.096 501 H LEU 72 H LEU 72 1.339 -5.764 -2.694 502 HA LEU 72 HA LEU 72 3.104 -7.685 -1.413 503 HB2 LEU 72 HB2 LEU 72 1.173 -5.709 -0.133 504 HB3 LEU 72 HB3 LEU 72 2.476 -6.569 0.676 505 HG LEU 72 HG LEU 72 2.817 -4.413 -1.455 506 HD11 LEU 72 HD11 LEU 72 2.042 -3.489 0.664 507 HD12 LEU 72 HD12 LEU 72 3.711 -3.019 0.351 508 HD13 LEU 72 HD13 LEU 72 3.360 -4.293 1.524 509 HD21 LEU 72 HD21 LEU 72 4.955 -5.894 0.117 510 HD22 LEU 72 HD22 LEU 72 5.230 -4.518 -0.954 511 HD23 LEU 72 HD23 LEU 72 4.636 -6.039 -1.615 512 H THR 73 H THR 73 1.972 -9.490 -2.392 513 HA THR 73 HA THR 73 -0.619 -10.367 -1.761 514 HB THR 73 HB THR 73 0.307 -12.668 -2.309 515 HG1 THR 73 HG1 THR 73 2.712 -11.899 -3.228 516 HG21 THR 73 HG21 THR 73 1.125 -10.457 -4.240 517 HG22 THR 73 HG22 THR 73 -0.480 -11.188 -4.136 518 HG23 THR 73 HG23 THR 73 0.898 -12.161 -4.655 519 H SER 74 H SER 74 2.449 -10.735 -0.074 520 HA SER 74 HA SER 74 1.198 -11.756 2.370 521 HB2 SER 74 HB2 SER 74 4.049 -10.871 1.821 522 HB3 SER 74 HB3 SER 74 3.492 -11.651 3.295 523 HG SER 74 HG SER 74 2.738 -13.350 1.625 524 H ILE 75 H ILE 75 -0.001 -10.281 3.316 525 HA ILE 75 HA ILE 75 0.504 -7.401 3.170 526 HB ILE 75 HB ILE 75 -1.865 -8.908 4.394 527 HG12 ILE 75 HG12 ILE 75 -1.577 -7.611 1.642 528 HG13 ILE 75 HG13 ILE 75 -1.663 -9.337 1.961 529 HG21 ILE 75 HG21 ILE 75 -3.040 -6.730 4.332 530 HG22 ILE 75 HG22 ILE 75 -1.588 -5.957 3.697 531 HG23 ILE 75 HG23 ILE 75 -1.583 -6.631 5.327 532 HD11 ILE 75 HD11 ILE 75 -3.875 -7.326 2.380 533 HD12 ILE 75 HD12 ILE 75 -3.968 -9.046 2.770 534 HD13 ILE 75 HD13 ILE 75 -3.749 -8.534 1.100 535 HA PRO 76 HA PRO 76 1.764 -7.535 7.592 536 HB2 PRO 76 HB2 PRO 76 3.241 -5.253 7.638 537 HB3 PRO 76 HB3 PRO 76 3.843 -6.728 6.848 538 HG2 PRO 76 HG2 PRO 76 2.797 -4.232 5.604 539 HG3 PRO 76 HG3 PRO 76 4.015 -5.377 4.997 540 HD2 PRO 76 HD2 PRO 76 1.233 -5.291 4.286 541 HD3 PRO 76 HD3 PRO 76 2.421 -6.514 3.801 542 H LYS 77 H LYS 77 -0.447 -7.278 8.266 543 HA LYS 77 HA LYS 77 -1.808 -4.796 8.326 544 HB2 LYS 77 HB2 LYS 77 -2.921 -7.039 8.529 545 HB3 LYS 77 HB3 LYS 77 -2.266 -7.186 10.156 546 HG2 LYS 77 HG2 LYS 77 -3.543 -5.096 10.777 547 HG3 LYS 77 HG3 LYS 77 -4.297 -5.154 9.179 548 HD2 LYS 77 HD2 LYS 77 -5.295 -7.352 9.713 549 HD3 LYS 77 HD3 LYS 77 -4.487 -7.353 11.285 550 HE2 LYS 77 HE2 LYS 77 -5.763 -5.310 11.910 551 HE3 LYS 77 HE3 LYS 77 -6.601 -5.382 10.362 552 HZ1 LYS 77 HZ1 LYS 77 -6.710 -7.487 12.457 553 HZ2 LYS 77 HZ2 LYS 77 -7.560 -7.493 11.000 554 HZ3 LYS 77 HZ3 LYS 77 -7.905 -6.328 12.173 555 H GLY 78 H GLY 78 0.484 -3.794 9.166 556 HA2 GLY 78 HA2 GLY 78 -0.463 -2.512 11.614 557 HA3 GLY 78 HA3 GLY 78 1.161 -3.208 11.637 558 H GLU 79 H GLU 79 1.868 -1.001 12.004 559 HA GLU 79 HA GLU 79 1.568 1.117 10.176 560 HB2 GLU 79 HB2 GLU 79 3.763 0.527 12.200 561 HB3 GLU 79 HB3 GLU 79 3.731 2.001 11.245 562 HG2 GLU 79 HG2 GLU 79 2.844 2.422 13.465 563 HG3 GLU 79 HG3 GLU 79 1.590 2.637 12.251 564 H TRP 80 H TRP 80 2.019 0.859 8.033 565 HA TRP 80 HA TRP 80 4.507 -0.485 7.168 566 HB2 TRP 80 HB2 TRP 80 2.510 -1.555 6.299 567 HB3 TRP 80 HB3 TRP 80 1.809 -0.017 5.826 568 HD1 TRP 80 HD1 TRP 80 4.752 -2.354 4.755 569 HE1 TRP 80 HE1 TRP 80 5.102 -2.041 2.225 570 HE3 TRP 80 HE3 TRP 80 1.414 1.437 3.944 571 HZ2 TRP 80 HZ2 TRP 80 4.065 -0.426 0.144 572 HZ3 TRP 80 HZ3 TRP 80 1.131 2.302 1.641 573 HH2 TRP 80 HH2 TRP 80 2.438 1.388 -0.215 574 H LEU 81 H LEU 81 5.706 0.546 5.443 575 HA LEU 81 HA LEU 81 5.312 3.475 5.184 576 HB2 LEU 81 HB2 LEU 81 7.921 1.900 5.214 577 HB3 LEU 81 HB3 LEU 81 7.789 3.626 4.931 578 HG LEU 81 HG LEU 81 7.143 2.173 7.530 579 HD11 LEU 81 HD11 LEU 81 9.056 3.397 8.461 580 HD12 LEU 81 HD12 LEU 81 9.372 4.138 6.889 581 HD13 LEU 81 HD13 LEU 81 9.557 2.395 7.099 582 HD21 LEU 81 HD21 LEU 81 6.931 5.138 6.925 583 HD22 LEU 81 HD22 LEU 81 6.739 4.386 8.511 584 HD23 LEU 81 HD23 LEU 81 5.588 4.033 7.226 585 H CYS 82 H CYS 82 5.029 4.188 3.174 586 HA CYS 82 HA CYS 82 5.054 2.336 0.915 587 HB2 CYS 82 HB2 CYS 82 3.845 4.042 -0.287 588 HB3 CYS 82 HB3 CYS 82 3.182 4.034 1.362 589 HA PRO 83 HA PRO 83 8.831 3.680 -1.342 590 HB2 PRO 83 HB2 PRO 83 6.819 4.932 -3.248 591 HB3 PRO 83 HB3 PRO 83 8.327 4.060 -3.620 592 HG2 PRO 83 HG2 PRO 83 6.017 2.773 -3.814 593 HG3 PRO 83 HG3 PRO 83 7.423 1.964 -3.085 594 HD2 PRO 83 HD2 PRO 83 4.974 3.040 -1.747 595 HD3 PRO 83 HD3 PRO 83 6.023 1.688 -1.264 596 H ARG 84 H ARG 84 6.184 6.113 -1.044 597 HA ARG 84 HA ARG 84 7.766 8.435 -1.321 598 HB2 ARG 84 HB2 ARG 84 5.256 8.348 -1.504 599 HB3 ARG 84 HB3 ARG 84 5.160 8.179 0.244 600 HG2 ARG 84 HG2 ARG 84 6.250 10.424 0.484 601 HG3 ARG 84 HG3 ARG 84 6.260 10.574 -1.275 602 HD2 ARG 84 HD2 ARG 84 3.737 10.347 -1.213 603 HD3 ARG 84 HD3 ARG 84 3.832 10.448 0.548 604 HE ARG 84 HE ARG 84 4.416 12.588 -1.389 605 HH11 ARG 84 HH11 ARG 84 4.016 11.648 1.968 606 HH12 ARG 84 HH12 ARG 84 3.919 13.279 2.541 607 HH21 ARG 84 HH21 ARG 84 4.227 14.712 -0.642 608 HH22 ARG 84 HH22 ARG 84 4.039 15.023 1.053 609 H CYS 85 H CYS 85 6.774 6.637 1.638 610 HA CYS 85 HA CYS 85 7.982 8.263 3.585 611 HB2 CYS 85 HB2 CYS 85 7.739 5.223 3.627 612 HB3 CYS 85 HB3 CYS 85 8.048 6.250 5.030 613 H VAL 86 H VAL 86 9.260 5.565 1.707 614 HA VAL 86 HA VAL 86 11.822 5.421 2.916 615 HB VAL 86 HB VAL 86 10.945 4.390 0.170 616 HG11 VAL 86 HG11 VAL 86 13.237 3.481 1.948 617 HG12 VAL 86 HG12 VAL 86 13.394 4.377 0.435 618 HG13 VAL 86 HG13 VAL 86 12.754 2.732 0.423 619 HG21 VAL 86 HG21 VAL 86 9.464 3.554 1.967 620 HG22 VAL 86 HG22 VAL 86 10.867 2.965 2.862 621 HG23 VAL 86 HG23 VAL 86 10.451 2.251 1.300 622 H VAL 87 H VAL 87 10.561 7.259 0.152 623 HA VAL 87 HA VAL 87 13.102 8.153 -0.835 624 HB VAL 87 HB VAL 87 10.251 9.085 -1.400 625 HG11 VAL 87 HG11 VAL 87 11.093 10.461 -3.274 626 HG12 VAL 87 HG12 VAL 87 12.755 10.150 -2.769 627 HG13 VAL 87 HG13 VAL 87 11.674 11.073 -1.723 628 HG21 VAL 87 HG21 VAL 87 12.267 7.613 -3.138 629 HG22 VAL 87 HG22 VAL 87 10.617 8.039 -3.602 630 HG23 VAL 87 HG23 VAL 87 10.897 6.877 -2.305 631 H GLU 88 H GLU 88 10.971 9.271 1.717 632 HA GLU 88 HA GLU 88 11.823 11.922 2.051 633 HB2 GLU 88 HB2 GLU 88 10.943 9.892 4.150 634 HB3 GLU 88 HB3 GLU 88 11.203 11.596 4.504 635 HG2 GLU 88 HG2 GLU 88 9.176 10.526 2.513 636 HG3 GLU 88 HG3 GLU 88 8.809 11.011 4.169 637 H GLU 89 H GLU 89 13.694 12.834 2.653 638 HA GLU 89 HA GLU 89 15.854 13.187 3.188 639 HB2 GLU 89 HB2 GLU 89 15.598 10.731 4.981 640 HB3 GLU 89 HB3 GLU 89 16.930 11.885 5.030 641 HG2 GLU 89 HG2 GLU 89 15.349 13.666 5.710 642 HG3 GLU 89 HG3 GLU 89 14.024 12.500 5.695 643 H VAL 90 H VAL 90 18.147 11.970 3.211 644 HA VAL 90 HA VAL 90 18.154 9.953 1.031 645 HB VAL 90 HB VAL 90 19.432 11.897 0.361 646 HG11 VAL 90 HG11 VAL 90 21.113 11.583 2.866 647 HG12 VAL 90 HG12 VAL 90 19.967 12.883 2.532 648 HG13 VAL 90 HG13 VAL 90 21.423 12.719 1.549 649 HG21 VAL 90 HG21 VAL 90 21.623 10.860 -0.148 650 HG22 VAL 90 HG22 VAL 90 20.308 9.703 -0.354 651 HG23 VAL 90 HG23 VAL 90 21.331 9.624 1.080 652 H SER 91 H SER 91 18.411 7.962 1.694 653 HA SER 91 HA SER 91 19.355 7.151 4.252 654 HB2 SER 91 HB2 SER 91 18.983 5.513 1.707 655 HB3 SER 91 HB3 SER 91 19.142 4.862 3.341 656 HG SER 91 HG SER 91 17.194 6.566 3.504 657 H LYS 92 H LYS 92 21.467 7.318 4.824 658 HA LYS 92 HA LYS 92 23.743 7.098 3.148 659 HB2 LYS 92 HB2 LYS 92 23.399 6.536 6.135 660 HB3 LYS 92 HB3 LYS 92 24.962 6.590 5.322 661 HG2 LYS 92 HG2 LYS 92 24.594 8.964 4.750 662 HG3 LYS 92 HG3 LYS 92 23.020 8.920 5.555 663 HD2 LYS 92 HD2 LYS 92 24.077 8.489 7.710 664 HD3 LYS 92 HD3 LYS 92 25.666 8.341 6.952 665 HE2 LYS 92 HE2 LYS 92 25.411 10.512 8.056 666 HE3 LYS 92 HE3 LYS 92 25.585 10.718 6.316 667 HZ1 LYS 92 HZ1 LYS 92 23.207 11.047 6.143 668 HZ2 LYS 92 HZ2 LYS 92 23.870 12.139 7.246 669 HZ3 LYS 92 HZ3 LYS 92 23.016 10.799 7.807 670 HA PRO 93 HA PRO 93 23.825 2.764 2.070 671 HB2 PRO 93 HB2 PRO 93 26.539 2.113 2.366 672 HB3 PRO 93 HB3 PRO 93 25.845 2.952 0.968 673 HG2 PRO 93 HG2 PRO 93 27.244 4.120 3.355 674 HG3 PRO 93 HG3 PRO 93 27.403 4.546 1.633 675 HD2 PRO 93 HD2 PRO 93 25.933 6.071 3.279 676 HD3 PRO 93 HD3 PRO 93 25.396 5.771 1.608 677 H GLN 94 H GLN 94 23.135 1.073 3.199 678 HA GLN 94 HA GLN 94 23.423 0.929 6.053 679 HB2 GLN 94 HB2 GLN 94 21.883 -1.083 5.832 680 HB3 GLN 94 HB3 GLN 94 21.251 0.428 5.195 681 HG2 GLN 94 HG2 GLN 94 21.839 -0.342 2.889 682 HG3 GLN 94 HG3 GLN 94 22.356 -1.885 3.565 683 HE21 GLN 94 HE21 GLN 94 19.639 0.107 2.719 684 HE22 GLN 94 HE22 GLN 94 18.415 -1.081 2.993 Start of MODEL 12 1 H1 SER 1 H1 SER 1 -70.471 57.498 44.061 2 H2 SER 1 H2 SER 1 -71.592 58.660 43.579 3 H3 SER 1 H3 SER 1 -69.984 59.103 43.822 4 HA SER 1 HA SER 1 -69.271 57.764 41.988 5 HB2 SER 1 HB2 SER 1 -72.237 57.105 41.646 6 HB3 SER 1 HB3 SER 1 -70.936 56.582 40.571 7 HG SER 1 HG SER 1 -70.070 55.383 42.255 8 H HIS 2 H HIS 2 -68.578 59.609 41.011 9 HA HIS 2 HA HIS 2 -70.534 61.232 39.454 10 HB2 HIS 2 HB2 HIS 2 -67.854 62.118 40.625 11 HB3 HIS 2 HB3 HIS 2 -68.845 63.095 39.551 12 HD2 HIS 2 HD2 HIS 2 -68.647 62.050 43.284 13 HE1 HIS 2 HE1 HIS 2 -71.749 64.882 42.809 14 HE2 HIS 2 HE2 HIS 2 -70.473 63.453 44.462 15 H MET 3 H MET 3 -69.656 62.029 37.349 16 HA MET 3 HA MET 3 -68.232 59.960 35.921 17 HB2 MET 3 HB2 MET 3 -68.644 61.277 33.907 18 HB3 MET 3 HB3 MET 3 -70.111 61.169 34.865 19 HG2 MET 3 HG2 MET 3 -69.836 63.458 35.633 20 HG3 MET 3 HG3 MET 3 -68.277 63.578 34.819 21 HE1 MET 3 HE1 MET 3 -69.281 63.596 31.035 22 HE2 MET 3 HE2 MET 3 -68.781 62.185 31.967 23 HE3 MET 3 HE3 MET 3 -67.960 63.732 32.194 24 H SER 4 H SER 4 -66.379 60.457 34.461 25 HA SER 4 HA SER 4 -64.447 62.396 35.583 26 HB2 SER 4 HB2 SER 4 -64.041 60.225 36.717 27 HB3 SER 4 HB3 SER 4 -63.942 59.401 35.162 28 HG SER 4 HG SER 4 -62.202 61.404 35.116 29 H GLY 5 H GLY 5 -64.546 63.674 33.752 30 HA2 GLY 5 HA2 GLY 5 -64.299 62.615 31.050 31 HA3 GLY 5 HA3 GLY 5 -64.443 64.303 31.528 32 H GLY 6 H GLY 6 -62.109 61.621 31.979 33 HA2 GLY 6 HA2 GLY 6 -59.822 63.490 31.783 34 HA3 GLY 6 HA3 GLY 6 -59.792 61.846 32.406 35 H SER 7 H SER 7 -60.988 63.213 29.334 36 HA SER 7 HA SER 7 -58.977 61.697 27.807 37 HB2 SER 7 HB2 SER 7 -60.823 60.973 26.205 38 HB3 SER 7 HB3 SER 7 -60.905 60.202 27.790 39 HG SER 7 HG SER 7 -62.461 62.384 26.847 40 HA PRO 8 HA PRO 8 -59.255 66.020 26.221 41 HB2 PRO 8 HB2 PRO 8 -56.662 66.365 25.568 42 HB3 PRO 8 HB3 PRO 8 -57.141 66.241 27.277 43 HG2 PRO 8 HG2 PRO 8 -55.986 64.108 25.495 44 HG3 PRO 8 HG3 PRO 8 -55.519 64.557 27.151 45 HD2 PRO 8 HD2 PRO 8 -57.209 62.452 26.586 46 HD3 PRO 8 HD3 PRO 8 -57.254 63.367 28.111 47 H LEU 9 H LEU 9 -58.549 67.058 24.069 48 HA LEU 9 HA LEU 9 -58.987 65.295 21.805 49 HB2 LEU 9 HB2 LEU 9 -58.534 67.485 20.469 50 HB3 LEU 9 HB3 LEU 9 -59.991 67.354 21.428 51 HG LEU 9 HG LEU 9 -58.798 68.723 23.243 52 HD11 LEU 9 HD11 LEU 9 -56.829 69.342 21.026 53 HD12 LEU 9 HD12 LEU 9 -56.478 68.469 22.518 54 HD13 LEU 9 HD13 LEU 9 -56.938 70.167 22.585 55 HD21 LEU 9 HD21 LEU 9 -60.529 69.693 21.827 56 HD22 LEU 9 HD22 LEU 9 -59.336 70.073 20.581 57 HD23 LEU 9 HD23 LEU 9 -59.264 70.877 22.152 58 H ALA 10 H ALA 10 -57.446 64.875 20.108 59 HA ALA 10 HA ALA 10 -54.606 65.108 20.835 60 HB1 ALA 10 HB1 ALA 10 -55.990 62.424 20.462 61 HB2 ALA 10 HB2 ALA 10 -55.408 63.078 21.995 62 HB3 ALA 10 HB3 ALA 10 -54.260 62.675 20.719 63 H THR 11 H THR 11 -54.195 66.274 18.976 64 HA THR 11 HA THR 11 -54.362 64.775 16.422 65 HB THR 11 HB THR 11 -53.695 67.749 16.716 66 HG1 THR 11 HG1 THR 11 -55.835 67.195 17.499 67 HG21 THR 11 HG21 THR 11 -53.013 66.686 14.565 68 HG22 THR 11 HG22 THR 11 -54.312 67.853 14.320 69 HG23 THR 11 HG23 THR 11 -54.672 66.128 14.322 70 H GLY 12 H GLY 12 -52.691 63.416 17.306 71 HA2 GLY 12 HA2 GLY 12 -50.133 64.373 18.152 72 HA3 GLY 12 HA3 GLY 12 -50.560 62.712 17.757 73 H THR 13 H THR 13 -48.403 64.913 16.959 74 HA THR 13 HA THR 13 -48.435 65.044 14.117 75 HB THR 13 HB THR 13 -45.981 65.671 14.394 76 HG1 THR 13 HG1 THR 13 -46.269 65.883 17.156 77 HG21 THR 13 HG21 THR 13 -46.398 67.807 15.555 78 HG22 THR 13 HG22 THR 13 -47.908 67.173 16.209 79 HG23 THR 13 HG23 THR 13 -47.738 67.417 14.469 80 H THR 14 H THR 14 -48.097 63.401 12.737 81 HA THR 14 HA THR 14 -47.379 60.784 13.591 82 HB THR 14 HB THR 14 -48.924 61.085 11.684 83 HG1 THR 14 HG1 THR 14 -47.430 59.193 11.837 84 HG21 THR 14 HG21 THR 14 -46.537 62.085 10.084 85 HG22 THR 14 HG22 THR 14 -47.914 63.071 10.585 86 HG23 THR 14 HG23 THR 14 -48.143 61.742 9.445 87 H ALA 15 H ALA 15 -45.426 59.929 13.857 88 HA ALA 15 HA ALA 15 -43.002 61.353 13.347 89 HB1 ALA 15 HB1 ALA 15 -41.877 59.310 14.180 90 HB2 ALA 15 HB2 ALA 15 -43.412 58.440 14.138 91 HB3 ALA 15 HB3 ALA 15 -43.198 59.794 15.248 92 H ASN 16 H ASN 16 -42.564 61.732 11.241 93 HA ASN 16 HA ASN 16 -42.215 59.431 9.407 94 HB2 ASN 16 HB2 ASN 16 -43.055 60.755 7.514 95 HB3 ASN 16 HB3 ASN 16 -44.287 60.663 8.765 96 HD21 ASN 16 HD21 ASN 16 -44.795 62.542 9.940 97 HD22 ASN 16 HD22 ASN 16 -44.390 64.117 9.363 98 H THR 17 H THR 17 -40.382 59.431 8.254 99 HA THR 17 HA THR 17 -38.574 61.589 7.824 100 HB THR 17 HB THR 17 -38.101 61.349 10.236 101 HG1 THR 17 HG1 THR 17 -36.166 61.783 9.568 102 HG21 THR 17 HG21 THR 17 -38.812 59.004 10.584 103 HG22 THR 17 HG22 THR 17 -37.189 59.286 11.215 104 HG23 THR 17 HG23 THR 17 -37.401 58.438 9.682 105 H ARG 18 H ARG 18 -36.449 60.660 6.889 106 HA ARG 18 HA ARG 18 -36.527 57.859 6.077 107 HB2 ARG 18 HB2 ARG 18 -36.284 58.308 3.678 108 HB3 ARG 18 HB3 ARG 18 -37.829 58.904 4.267 109 HG2 ARG 18 HG2 ARG 18 -37.145 61.181 4.085 110 HG3 ARG 18 HG3 ARG 18 -35.442 60.743 3.937 111 HD2 ARG 18 HD2 ARG 18 -37.594 60.136 1.875 112 HD3 ARG 18 HD3 ARG 18 -36.407 61.443 1.761 113 HE ARG 18 HE ARG 18 -34.679 59.580 1.865 114 HH11 ARG 18 HH11 ARG 18 -37.839 59.044 0.401 115 HH12 ARG 18 HH12 ARG 18 -37.261 57.774 -0.635 116 HH21 ARG 18 HH21 ARG 18 -33.953 57.898 0.529 117 HH22 ARG 18 HH22 ARG 18 -35.063 57.125 -0.565 118 H GLY 19 H GLY 19 -34.553 57.352 4.682 119 HA2 GLY 19 HA2 GLY 19 -32.258 57.561 4.270 120 HA3 GLY 19 HA3 GLY 19 -32.193 58.985 5.300 121 H ALA 20 H ALA 20 -31.375 55.756 5.097 122 HA ALA 20 HA ALA 20 -30.850 55.539 7.996 123 HB1 ALA 20 HB1 ALA 20 -32.950 54.310 7.579 124 HB2 ALA 20 HB2 ALA 20 -31.653 53.205 8.027 125 HB3 ALA 20 HB3 ALA 20 -32.160 53.335 6.338 126 H SER 21 H SER 21 -28.962 54.521 8.479 127 HA SER 21 HA SER 21 -27.395 53.156 6.396 128 HB2 SER 21 HB2 SER 21 -26.308 55.453 8.107 129 HB3 SER 21 HB3 SER 21 -25.353 54.450 7.013 130 HG SER 21 HG SER 21 -26.554 55.262 5.284 131 H GLN 22 H GLN 22 -28.164 51.315 7.652 132 HA GLN 22 HA GLN 22 -26.484 50.653 9.934 133 HB2 GLN 22 HB2 GLN 22 -28.349 51.902 11.007 134 HB3 GLN 22 HB3 GLN 22 -29.516 50.805 10.280 135 HG2 GLN 22 HG2 GLN 22 -28.586 48.935 11.604 136 HG3 GLN 22 HG3 GLN 22 -27.401 50.028 12.316 137 HE21 GLN 22 HE21 GLN 22 -28.106 51.555 13.863 138 HE22 GLN 22 HE22 GLN 22 -29.633 51.413 14.658 139 H LYS 23 H LYS 23 -25.734 48.783 9.127 140 HA LYS 23 HA LYS 23 -27.616 46.525 9.042 141 HB2 LYS 23 HB2 LYS 23 -26.432 45.436 7.200 142 HB3 LYS 23 HB3 LYS 23 -27.064 46.987 6.670 143 HG2 LYS 23 HG2 LYS 23 -24.830 47.976 6.771 144 HG3 LYS 23 HG3 LYS 23 -24.170 46.476 7.435 145 HD2 LYS 23 HD2 LYS 23 -24.796 45.289 5.336 146 HD3 LYS 23 HD3 LYS 23 -25.411 46.803 4.668 147 HE2 LYS 23 HE2 LYS 23 -22.531 46.290 5.489 148 HE3 LYS 23 HE3 LYS 23 -23.141 46.234 3.836 149 HZ1 LYS 23 HZ1 LYS 23 -23.759 48.591 4.063 150 HZ2 LYS 23 HZ2 LYS 23 -22.099 48.342 4.256 151 HZ3 LYS 23 HZ3 LYS 23 -23.070 48.617 5.609 152 H LYS 24 H LYS 24 -26.414 44.437 9.482 153 HA LYS 24 HA LYS 24 -23.943 44.781 11.041 154 HB2 LYS 24 HB2 LYS 24 -26.245 45.061 12.428 155 HB3 LYS 24 HB3 LYS 24 -26.213 43.307 12.410 156 HG2 LYS 24 HG2 LYS 24 -23.962 45.045 13.473 157 HG3 LYS 24 HG3 LYS 24 -25.254 44.381 14.469 158 HD2 LYS 24 HD2 LYS 24 -24.501 42.099 13.986 159 HD3 LYS 24 HD3 LYS 24 -23.273 42.711 12.872 160 HE2 LYS 24 HE2 LYS 24 -22.257 42.122 15.029 161 HE3 LYS 24 HE3 LYS 24 -22.145 43.860 14.757 162 HZ1 LYS 24 HZ1 LYS 24 -24.004 44.194 16.239 163 HZ2 LYS 24 HZ2 LYS 24 -22.810 43.295 17.031 164 HZ3 LYS 24 HZ3 LYS 24 -24.197 42.531 16.442 165 H GLY 25 H GLY 25 -22.673 42.975 10.950 166 HA2 GLY 25 HA2 GLY 25 -23.265 40.984 8.974 167 HA3 GLY 25 HA3 GLY 25 -21.808 41.113 9.941 168 H GLY 26 H GLY 26 -24.325 39.124 9.288 169 HA2 GLY 26 HA2 GLY 26 -24.611 37.893 11.937 170 HA3 GLY 26 HA3 GLY 26 -25.392 37.395 10.439 171 H GLU 27 H GLU 27 -24.676 35.267 11.476 172 HA GLU 27 HA GLU 27 -22.062 34.455 10.349 173 HB2 GLU 27 HB2 GLU 27 -21.539 33.141 12.379 174 HB3 GLU 27 HB3 GLU 27 -21.706 34.848 12.766 175 HG2 GLU 27 HG2 GLU 27 -23.993 34.411 13.645 176 HG3 GLU 27 HG3 GLU 27 -23.788 32.698 13.286 177 HA PRO 28 HA PRO 28 -24.643 30.884 9.141 178 HB2 PRO 28 HB2 PRO 28 -22.844 29.541 7.625 179 HB3 PRO 28 HB3 PRO 28 -23.525 31.091 7.095 180 HG2 PRO 28 HG2 PRO 28 -20.830 30.523 8.249 181 HG3 PRO 28 HG3 PRO 28 -21.293 31.662 6.968 182 HD2 PRO 28 HD2 PRO 28 -20.863 32.344 9.668 183 HD3 PRO 28 HD3 PRO 28 -21.709 33.346 8.471 184 HA PRO 29 HA PRO 29 -23.264 27.959 12.358 185 HB2 PRO 29 HB2 PRO 29 -25.516 26.439 12.510 186 HB3 PRO 29 HB3 PRO 29 -25.469 28.105 13.127 187 HG2 PRO 29 HG2 PRO 29 -26.665 27.077 10.588 188 HG3 PRO 29 HG3 PRO 29 -27.256 28.341 11.687 189 HD2 PRO 29 HD2 PRO 29 -25.864 28.828 9.310 190 HD3 PRO 29 HD3 PRO 29 -26.037 29.981 10.648 191 H ALA 30 H ALA 30 -21.617 26.741 11.480 192 HA ALA 30 HA ALA 30 -21.972 24.900 9.282 193 HB1 ALA 30 HB1 ALA 30 -19.644 25.239 11.201 194 HB2 ALA 30 HB2 ALA 30 -19.818 25.997 9.618 195 HB3 ALA 30 HB3 ALA 30 -19.626 24.247 9.737 196 H LEU 31 H LEU 31 -23.359 23.267 9.697 197 HA LEU 31 HA LEU 31 -23.100 21.647 12.177 198 HB2 LEU 31 HB2 LEU 31 -25.522 22.009 10.364 199 HB3 LEU 31 HB3 LEU 31 -25.479 21.064 11.846 200 HG LEU 31 HG LEU 31 -25.114 24.085 11.709 201 HD11 LEU 31 HD11 LEU 31 -27.368 24.240 12.665 202 HD12 LEU 31 HD12 LEU 31 -27.552 22.488 12.551 203 HD13 LEU 31 HD13 LEU 31 -27.389 23.460 11.085 204 HD21 LEU 31 HD21 LEU 31 -25.399 22.248 14.117 205 HD22 LEU 31 HD22 LEU 31 -25.372 24.013 14.173 206 HD23 LEU 31 HD23 LEU 31 -23.948 23.130 13.633 207 H ILE 32 H ILE 32 -21.697 20.091 11.567 208 HA ILE 32 HA ILE 32 -20.714 18.326 10.587 209 HB ILE 32 HB ILE 32 -23.514 17.496 9.686 210 HG12 ILE 32 HG12 ILE 32 -22.196 16.963 12.399 211 HG13 ILE 32 HG13 ILE 32 -23.494 18.119 12.123 212 HG21 ILE 32 HG21 ILE 32 -21.068 15.813 10.378 213 HG22 ILE 32 HG22 ILE 32 -21.688 16.113 8.752 214 HG23 ILE 32 HG23 ILE 32 -22.650 15.191 9.905 215 HD11 ILE 32 HD11 ILE 32 -23.694 15.124 11.781 216 HD12 ILE 32 HD12 ILE 32 -24.990 16.288 11.486 217 HD13 ILE 32 HD13 ILE 32 -24.339 16.085 13.111 218 H VAL 33 H VAL 33 -19.855 20.063 9.089 219 HA VAL 33 HA VAL 33 -20.746 19.861 6.290 220 HB VAL 33 HB VAL 33 -18.492 21.568 7.457 221 HG11 VAL 33 HG11 VAL 33 -19.870 21.750 4.746 222 HG12 VAL 33 HG12 VAL 33 -18.226 21.180 5.045 223 HG13 VAL 33 HG13 VAL 33 -18.642 22.864 5.361 224 HG21 VAL 33 HG21 VAL 33 -21.356 22.400 6.852 225 HG22 VAL 33 HG22 VAL 33 -20.053 23.472 7.375 226 HG23 VAL 33 HG23 VAL 33 -20.644 22.211 8.458 227 H ASP 34 H ASP 34 -20.171 17.817 5.735 228 HA ASP 34 HA ASP 34 -18.995 16.069 4.965 229 HB2 ASP 34 HB2 ASP 34 -16.703 18.051 5.000 230 HB3 ASP 34 HB3 ASP 34 -16.455 16.379 4.522 231 HA PRO 35 HA PRO 35 -17.606 14.038 8.768 232 HB2 PRO 35 HB2 PRO 35 -16.941 11.576 7.728 233 HB3 PRO 35 HB3 PRO 35 -18.622 12.098 7.971 234 HG2 PRO 35 HG2 PRO 35 -16.992 12.154 5.446 235 HG3 PRO 35 HG3 PRO 35 -18.664 11.593 5.690 236 HD2 PRO 35 HD2 PRO 35 -18.136 14.039 4.672 237 HD3 PRO 35 HD3 PRO 35 -19.530 13.766 5.740 238 H LEU 36 H LEU 36 -15.667 14.204 5.850 239 HA LEU 36 HA LEU 36 -13.495 14.330 5.342 240 HB2 LEU 36 HB2 LEU 36 -13.141 15.208 8.229 241 HB3 LEU 36 HB3 LEU 36 -11.937 15.394 6.964 242 HG LEU 36 HG LEU 36 -14.639 16.797 7.092 243 HD11 LEU 36 HD11 LEU 36 -13.330 18.856 7.359 244 HD12 LEU 36 HD12 LEU 36 -11.834 17.918 7.379 245 HD13 LEU 36 HD13 LEU 36 -13.022 17.721 8.670 246 HD21 LEU 36 HD21 LEU 36 -12.490 17.009 4.957 247 HD22 LEU 36 HD22 LEU 36 -13.918 18.042 5.084 248 HD23 LEU 36 HD23 LEU 36 -14.106 16.321 4.763 249 H MET 37 H MET 37 -14.659 11.863 6.729 250 HA MET 37 HA MET 37 -12.174 10.459 7.483 251 HB2 MET 37 HB2 MET 37 -14.009 10.163 9.084 252 HB3 MET 37 HB3 MET 37 -15.106 9.658 7.805 253 HG2 MET 37 HG2 MET 37 -13.715 7.644 7.429 254 HG3 MET 37 HG3 MET 37 -12.650 8.148 8.742 255 HE1 MET 37 HE1 MET 37 -14.717 4.999 10.045 256 HE2 MET 37 HE2 MET 37 -13.098 5.584 9.664 257 HE3 MET 37 HE3 MET 37 -14.268 5.307 8.371 258 H LYS 38 H LYS 38 -11.207 10.036 5.577 259 HA LYS 38 HA LYS 38 -12.236 7.870 3.985 260 HB2 LYS 38 HB2 LYS 38 -12.076 8.993 1.796 261 HB3 LYS 38 HB3 LYS 38 -13.295 9.761 2.804 262 HG2 LYS 38 HG2 LYS 38 -11.792 11.628 3.280 263 HG3 LYS 38 HG3 LYS 38 -10.488 10.848 2.378 264 HD2 LYS 38 HD2 LYS 38 -11.867 11.007 0.303 265 HD3 LYS 38 HD3 LYS 38 -13.131 11.829 1.222 266 HE2 LYS 38 HE2 LYS 38 -11.625 13.706 1.668 267 HE3 LYS 38 HE3 LYS 38 -10.297 12.866 0.861 268 HZ1 LYS 38 HZ1 LYS 38 -11.566 12.950 -1.207 269 HZ2 LYS 38 HZ2 LYS 38 -11.299 14.500 -0.594 270 HZ3 LYS 38 HZ3 LYS 38 -12.815 13.776 -0.429 271 H TYR 39 H TYR 39 -10.598 6.982 2.587 272 HA TYR 39 HA TYR 39 -7.844 7.977 3.010 273 HB2 TYR 39 HB2 TYR 39 -8.783 5.124 2.518 274 HB3 TYR 39 HB3 TYR 39 -7.096 5.624 2.522 275 HD1 TYR 39 HD2 TYR 39 -6.519 7.106 4.780 276 HD2 TYR 39 HD1 TYR 39 -9.458 4.013 4.476 277 HE1 TYR 39 HE2 TYR 39 -6.364 6.714 7.197 278 HE2 TYR 39 HE1 TYR 39 -9.293 3.624 6.905 279 HH TYR 39 HH TYR 39 -7.536 3.991 8.704 280 H ILE 40 H ILE 40 -9.833 6.057 0.794 281 HA ILE 40 HA ILE 40 -9.986 5.809 -1.441 282 HB ILE 40 HB ILE 40 -9.089 8.701 -1.316 283 HG12 ILE 40 HG12 ILE 40 -11.702 7.329 -2.092 284 HG13 ILE 40 HG13 ILE 40 -11.381 8.205 -0.602 285 HG21 ILE 40 HG21 ILE 40 -9.450 9.015 -3.710 286 HG22 ILE 40 HG22 ILE 40 -9.736 7.289 -3.924 287 HG23 ILE 40 HG23 ILE 40 -8.142 7.865 -3.436 288 HD11 ILE 40 HD11 ILE 40 -12.764 9.505 -2.068 289 HD12 ILE 40 HD12 ILE 40 -11.582 9.396 -3.371 290 HD13 ILE 40 HD13 ILE 40 -11.197 10.295 -1.898 291 H CYS 41 H CYS 41 -8.782 4.812 -3.063 292 HA CYS 41 HA CYS 41 -6.036 4.219 -2.380 293 HB2 CYS 41 HB2 CYS 41 -7.567 2.488 -3.318 294 HB3 CYS 41 HB3 CYS 41 -7.637 3.392 -4.829 295 H HIS 42 H HIS 42 -4.369 5.382 -3.005 296 HA HIS 42 HA HIS 42 -4.420 7.684 -4.578 297 HB2 HIS 42 HB2 HIS 42 -2.746 7.251 -2.848 298 HB3 HIS 42 HB3 HIS 42 -2.128 5.859 -3.722 299 HD1 HIS 42 HD1 HIS 42 -1.987 9.597 -3.607 300 HD2 HIS 42 HD2 HIS 42 -0.308 6.470 -5.754 301 HE1 HIS 42 HE1 HIS 42 -0.042 10.594 -4.834 302 HE2 HIS 42 HE2 HIS 42 1.010 8.666 -6.049 303 H ILE 43 H ILE 43 -4.256 4.384 -5.607 304 HA ILE 43 HA ILE 43 -3.039 5.067 -8.219 305 HB ILE 43 HB ILE 43 -3.208 2.323 -6.870 306 HG12 ILE 43 HG12 ILE 43 -0.624 2.539 -6.854 307 HG13 ILE 43 HG13 ILE 43 -0.856 4.257 -7.145 308 HG21 ILE 43 HG21 ILE 43 -3.299 2.102 -9.303 309 HG22 ILE 43 HG22 ILE 43 -1.750 1.518 -8.694 310 HG23 ILE 43 HG23 ILE 43 -1.851 3.100 -9.472 311 HD11 ILE 43 HD11 ILE 43 -0.498 3.940 -4.830 312 HD12 ILE 43 HD12 ILE 43 -1.695 2.654 -4.750 313 HD13 ILE 43 HD13 ILE 43 -2.207 4.317 -5.025 314 H CYS 44 H CYS 44 -5.711 3.167 -6.689 315 HA CYS 44 HA CYS 44 -6.882 2.773 -9.393 316 HB2 CYS 44 HB2 CYS 44 -7.633 0.531 -8.622 317 HB3 CYS 44 HB3 CYS 44 -5.881 0.685 -8.632 318 H ASN 45 H ASN 45 -7.393 4.696 -7.061 319 HA ASN 45 HA ASN 45 -9.083 6.133 -6.740 320 HB2 ASN 45 HB2 ASN 45 -10.854 4.268 -8.363 321 HB3 ASN 45 HB3 ASN 45 -11.286 5.889 -7.837 322 HD21 ASN 45 HD21 ASN 45 -9.488 4.026 -10.123 323 HD22 ASN 45 HD22 ASN 45 -8.975 5.339 -11.120 324 H ARG 46 H ARG 46 -10.502 2.872 -6.480 325 HA ARG 46 HA ARG 46 -12.592 3.653 -4.787 326 HB2 ARG 46 HB2 ARG 46 -11.440 0.903 -5.378 327 HB3 ARG 46 HB3 ARG 46 -12.918 1.161 -4.454 328 HG2 ARG 46 HG2 ARG 46 -13.993 2.208 -6.385 329 HG3 ARG 46 HG3 ARG 46 -12.492 2.094 -7.308 330 HD2 ARG 46 HD2 ARG 46 -14.104 0.347 -7.951 331 HD3 ARG 46 HD3 ARG 46 -12.621 -0.340 -7.294 332 HE ARG 46 HE ARG 46 -13.907 -0.625 -5.159 333 HH11 ARG 46 HH11 ARG 46 -15.635 -0.573 -8.234 334 HH12 ARG 46 HH12 ARG 46 -16.949 -1.534 -7.626 335 HH21 ARG 46 HH21 ARG 46 -15.604 -1.939 -4.420 336 HH22 ARG 46 HH22 ARG 46 -16.930 -2.305 -5.474 337 H GLY 47 H GLY 47 -12.691 4.095 -2.721 338 HA2 GLY 47 HA2 GLY 47 -10.689 3.079 -0.783 339 HA3 GLY 47 HA3 GLY 47 -11.775 4.448 -0.535 340 H ASP 48 H ASP 48 -12.410 1.321 -1.902 341 HA ASP 48 HA ASP 48 -14.804 0.929 -0.259 342 HB2 ASP 48 HB2 ASP 48 -15.115 0.932 -2.687 343 HB3 ASP 48 HB3 ASP 48 -13.828 -0.241 -2.914 344 H VAL 49 H VAL 49 -12.018 -0.859 -1.561 345 HA VAL 49 HA VAL 49 -12.253 -3.029 0.365 346 HB VAL 49 HB VAL 49 -10.155 -2.532 -1.807 347 HG11 VAL 49 HG11 VAL 49 -9.329 -4.090 -0.101 348 HG12 VAL 49 HG12 VAL 49 -9.634 -4.935 -1.620 349 HG13 VAL 49 HG13 VAL 49 -10.777 -5.086 -0.282 350 HG21 VAL 49 HG21 VAL 49 -12.408 -2.754 -2.779 351 HG22 VAL 49 HG22 VAL 49 -12.632 -4.291 -1.939 352 HG23 VAL 49 HG23 VAL 49 -11.396 -4.138 -3.191 353 H GLU 50 H GLU 50 -12.030 -1.422 2.132 354 HA GLU 50 HA GLU 50 -9.485 -0.110 2.568 355 HB2 GLU 50 HB2 GLU 50 -11.872 -0.411 4.432 356 HB3 GLU 50 HB3 GLU 50 -10.486 0.650 4.687 357 HG2 GLU 50 HG2 GLU 50 -11.089 1.832 2.541 358 HG3 GLU 50 HG3 GLU 50 -12.547 0.850 2.477 359 H GLU 51 H GLU 51 -10.880 -3.173 3.337 360 HA GLU 51 HA GLU 51 -9.363 -3.900 5.607 361 HB2 GLU 51 HB2 GLU 51 -9.992 -6.235 5.016 362 HB3 GLU 51 HB3 GLU 51 -11.361 -5.134 4.976 363 HG2 GLU 51 HG2 GLU 51 -11.133 -5.017 2.489 364 HG3 GLU 51 HG3 GLU 51 -9.859 -6.229 2.584 365 H SER 52 H SER 52 -8.592 -3.995 2.161 366 HA SER 52 HA SER 52 -5.970 -5.264 2.682 367 HB2 SER 52 HB2 SER 52 -7.404 -4.765 0.031 368 HB3 SER 52 HB3 SER 52 -5.889 -5.650 0.242 369 HG SER 52 HG SER 52 -6.961 -7.254 1.289 370 H MET 53 H MET 53 -7.261 -2.266 2.660 371 HA MET 53 HA MET 53 -5.180 -0.882 1.168 372 HB2 MET 53 HB2 MET 53 -7.458 0.042 1.128 373 HB3 MET 53 HB3 MET 53 -7.466 0.199 2.877 374 HG2 MET 53 HG2 MET 53 -5.724 1.909 2.751 375 HG3 MET 53 HG3 MET 53 -5.627 1.708 1.001 376 HE1 MET 53 HE1 MET 53 -9.110 3.071 -0.170 377 HE2 MET 53 HE2 MET 53 -8.744 1.385 0.187 378 HE3 MET 53 HE3 MET 53 -7.573 2.379 -0.684 379 H LEU 54 H LEU 54 -3.228 -0.681 2.059 380 HA LEU 54 HA LEU 54 -2.798 -0.570 4.954 381 HB2 LEU 54 HB2 LEU 54 -0.790 -0.478 2.649 382 HB3 LEU 54 HB3 LEU 54 -0.380 -0.526 4.356 383 HG LEU 54 HG LEU 54 -1.617 -2.826 4.409 384 HD11 LEU 54 HD11 LEU 54 -1.211 -2.619 1.414 385 HD12 LEU 54 HD12 LEU 54 -2.758 -2.690 2.259 386 HD13 LEU 54 HD13 LEU 54 -1.673 -4.077 2.299 387 HD21 LEU 54 HD21 LEU 54 0.393 -4.032 3.684 388 HD22 LEU 54 HD22 LEU 54 0.805 -2.611 4.640 389 HD23 LEU 54 HD23 LEU 54 0.990 -2.572 2.885 390 H LEU 55 H LEU 55 -2.571 1.304 5.996 391 HA LEU 55 HA LEU 55 -2.460 3.845 4.480 392 HB2 LEU 55 HB2 LEU 55 -4.351 3.539 6.060 393 HB3 LEU 55 HB3 LEU 55 -3.243 3.260 7.383 394 HG LEU 55 HG LEU 55 -4.413 5.570 7.237 395 HD11 LEU 55 HD11 LEU 55 -1.392 5.607 7.542 396 HD12 LEU 55 HD12 LEU 55 -2.557 5.174 8.793 397 HD13 LEU 55 HD13 LEU 55 -2.530 6.813 8.154 398 HD21 LEU 55 HD21 LEU 55 -3.391 7.288 5.816 399 HD22 LEU 55 HD22 LEU 55 -4.071 5.988 4.838 400 HD23 LEU 55 HD23 LEU 55 -2.326 6.080 5.088 401 H CYS 56 H CYS 56 -0.600 4.972 4.528 402 HA CYS 56 HA CYS 56 1.727 3.755 5.747 403 HB2 CYS 56 HB2 CYS 56 1.666 4.645 3.371 404 HB3 CYS 56 HB3 CYS 56 1.612 6.275 4.059 405 H ASP 57 H ASP 57 2.468 4.268 7.661 406 HA ASP 57 HA ASP 57 1.421 6.402 9.278 407 HB2 ASP 57 HB2 ASP 57 1.921 4.236 10.260 408 HB3 ASP 57 HB3 ASP 57 3.598 4.317 9.727 409 H GLY 58 H GLY 58 4.446 5.834 7.527 410 HA2 GLY 58 HA2 GLY 58 5.862 8.079 8.654 411 HA3 GLY 58 HA3 GLY 58 6.400 7.036 7.352 412 H CYS 59 H CYS 59 3.353 8.253 6.658 413 HA CYS 59 HA CYS 59 4.024 10.871 5.666 414 HB2 CYS 59 HB2 CYS 59 3.791 10.483 3.263 415 HB3 CYS 59 HB3 CYS 59 5.052 9.417 3.858 416 H ASP 60 H ASP 60 1.900 10.953 3.687 417 HA ASP 60 HA ASP 60 -0.481 10.716 5.405 418 HB2 ASP 60 HB2 ASP 60 0.096 12.968 4.406 419 HB3 ASP 60 HB3 ASP 60 -0.064 12.275 2.797 420 H ASP 61 H ASP 61 1.095 9.337 2.660 421 HA ASP 61 HA ASP 61 -1.049 8.950 0.881 422 HB2 ASP 61 HB2 ASP 61 1.696 8.718 0.667 423 HB3 ASP 61 HB3 ASP 61 1.248 7.023 0.653 424 H SER 62 H SER 62 -1.884 6.870 0.064 425 HA SER 62 HA SER 62 -2.231 4.744 2.058 426 HB2 SER 62 HB2 SER 62 -4.049 6.448 2.466 427 HB3 SER 62 HB3 SER 62 -4.601 6.215 0.808 428 HG SER 62 HG SER 62 -5.739 4.647 1.610 429 H TYR 63 H TYR 63 -2.086 2.851 1.072 430 HA TYR 63 HA TYR 63 -2.499 2.549 -1.863 431 HB2 TYR 63 HB2 TYR 63 -0.300 1.416 -0.065 432 HB3 TYR 63 HB3 TYR 63 -0.623 0.792 -1.676 433 HD1 TYR 63 HD1 TYR 63 0.312 3.986 0.107 434 HD2 TYR 63 HD2 TYR 63 0.496 1.723 -3.513 435 HE1 TYR 63 HE1 TYR 63 1.817 5.674 -0.874 436 HE2 TYR 63 HE2 TYR 63 1.981 3.412 -4.489 437 HH TYR 63 HH TYR 63 2.516 5.748 -4.205 438 H HIS 64 H HIS 64 -3.022 0.310 -2.507 439 HA HIS 64 HA HIS 64 -4.193 -1.402 -0.372 440 HB2 HIS 64 HB2 HIS 64 -4.379 -1.557 -3.421 441 HB3 HIS 64 HB3 HIS 64 -4.887 -2.879 -2.391 442 HD2 HIS 64 HD2 HIS 64 -6.966 -2.051 -0.501 443 HE1 HIS 64 HE1 HIS 64 -8.554 0.589 -3.388 444 HE2 HIS 64 HE2 HIS 64 -8.955 -0.565 -1.172 445 H THR 65 H THR 65 -3.713 -3.779 -0.705 446 HA THR 65 HA THR 65 -1.051 -4.604 -0.981 447 HB THR 65 HB THR 65 -2.201 -6.881 -1.524 448 HG1 THR 65 HG1 THR 65 -4.300 -6.883 -1.823 449 HG21 THR 65 HG21 THR 65 -3.084 -5.420 0.996 450 HG22 THR 65 HG22 THR 65 -1.562 -6.293 0.789 451 HG23 THR 65 HG23 THR 65 -3.093 -7.173 0.764 452 H PHE 66 H PHE 66 -3.752 -4.629 -3.325 453 HA PHE 66 HA PHE 66 -1.958 -5.032 -5.602 454 HB2 PHE 66 HB2 PHE 66 -4.096 -5.386 -6.911 455 HB3 PHE 66 HB3 PHE 66 -3.817 -6.569 -5.648 456 HD1 PHE 66 HD1 PHE 66 -5.127 -6.321 -3.442 457 HD2 PHE 66 HD2 PHE 66 -6.164 -4.139 -6.973 458 HE1 PHE 66 HE1 PHE 66 -7.385 -5.928 -2.546 459 HE2 PHE 66 HE2 PHE 66 -8.417 -3.751 -6.061 460 HZ PHE 66 HZ PHE 66 -9.027 -4.645 -3.853 461 H CYS 67 H CYS 67 -1.133 -2.857 -5.143 462 HA CYS 67 HA CYS 67 -2.349 -0.927 -6.974 463 HB2 CYS 67 HB2 CYS 67 -1.825 -0.315 -4.052 464 HB3 CYS 67 HB3 CYS 67 -1.855 0.958 -5.272 465 H LEU 68 H LEU 68 0.359 -2.428 -5.657 466 HA LEU 68 HA LEU 68 2.235 -0.443 -6.816 467 HB2 LEU 68 HB2 LEU 68 2.900 -2.561 -4.728 468 HB3 LEU 68 HB3 LEU 68 3.953 -1.293 -5.331 469 HG LEU 68 HG LEU 68 1.882 0.235 -4.324 470 HD11 LEU 68 HD11 LEU 68 2.049 -2.125 -2.443 471 HD12 LEU 68 HD12 LEU 68 0.662 -1.661 -3.432 472 HD13 LEU 68 HD13 LEU 68 1.214 -0.597 -2.142 473 HD21 LEU 68 HD21 LEU 68 4.289 -0.698 -2.736 474 HD22 LEU 68 HD22 LEU 68 3.328 0.753 -2.430 475 HD23 LEU 68 HD23 LEU 68 4.262 0.614 -3.917 476 H LEU 69 H LEU 69 4.406 -1.667 -7.406 477 HA LEU 69 HA LEU 69 3.884 -4.286 -8.620 478 HB2 LEU 69 HB2 LEU 69 5.208 -3.700 -10.615 479 HB3 LEU 69 HB3 LEU 69 3.734 -2.767 -10.492 480 HG LEU 69 HG LEU 69 6.432 -1.622 -9.680 481 HD11 LEU 69 HD11 LEU 69 6.572 -0.577 -11.888 482 HD12 LEU 69 HD12 LEU 69 5.118 -1.437 -12.405 483 HD13 LEU 69 HD13 LEU 69 6.585 -2.337 -12.007 484 HD21 LEU 69 HD21 LEU 69 3.822 -0.272 -10.445 485 HD22 LEU 69 HD22 LEU 69 5.321 0.548 -9.991 486 HD23 LEU 69 HD23 LEU 69 4.461 -0.443 -8.809 487 HA PRO 70 HA PRO 70 4.459 -6.091 -8.463 488 HB2 PRO 70 HB2 PRO 70 5.121 -8.200 -6.856 489 HB3 PRO 70 HB3 PRO 70 6.053 -7.794 -8.311 490 HG2 PRO 70 HG2 PRO 70 6.689 -7.194 -5.448 491 HG3 PRO 70 HG3 PRO 70 7.769 -7.730 -6.754 492 HD2 PRO 70 HD2 PRO 70 7.520 -5.090 -5.933 493 HD3 PRO 70 HD3 PRO 70 8.089 -5.583 -7.542 494 HA PRO 71 HA PRO 71 1.356 -5.044 -5.358 495 HB2 PRO 71 HB2 PRO 71 -0.476 -7.105 -5.915 496 HB3 PRO 71 HB3 PRO 71 -0.358 -5.588 -6.823 497 HG2 PRO 71 HG2 PRO 71 0.800 -8.274 -7.493 498 HG3 PRO 71 HG3 PRO 71 0.017 -7.084 -8.560 499 HD2 PRO 71 HD2 PRO 71 2.688 -7.306 -8.513 500 HD3 PRO 71 HD3 PRO 71 1.913 -5.711 -8.662 501 H LEU 72 H LEU 72 1.357 -5.461 -3.216 502 HA LEU 72 HA LEU 72 2.900 -7.537 -2.092 503 HB2 LEU 72 HB2 LEU 72 0.907 -5.687 -0.722 504 HB3 LEU 72 HB3 LEU 72 2.156 -6.623 0.090 505 HG LEU 72 HG LEU 72 2.654 -4.342 -1.873 506 HD11 LEU 72 HD11 LEU 72 1.750 -3.527 0.258 507 HD12 LEU 72 HD12 LEU 72 3.440 -3.063 0.073 508 HD13 LEU 72 HD13 LEU 72 3.004 -4.397 1.147 509 HD21 LEU 72 HD21 LEU 72 5.028 -4.535 -1.210 510 HD22 LEU 72 HD22 LEU 72 4.449 -5.993 -2.010 511 HD23 LEU 72 HD23 LEU 72 4.646 -5.972 -0.255 512 H THR 73 H THR 73 2.314 -9.611 -2.069 513 HA THR 73 HA THR 73 -0.412 -10.512 -2.123 514 HB THR 73 HB THR 73 1.383 -11.780 -3.268 515 HG1 THR 73 HG1 THR 73 0.326 -13.508 -1.281 516 HG21 THR 73 HG21 THR 73 2.916 -13.233 -1.997 517 HG22 THR 73 HG22 THR 73 2.327 -12.545 -0.482 518 HG23 THR 73 HG23 THR 73 3.206 -11.531 -1.628 519 H SER 74 H SER 74 1.866 -9.811 0.391 520 HA SER 74 HA SER 74 0.005 -10.819 2.466 521 HB2 SER 74 HB2 SER 74 3.058 -10.918 2.555 522 HB3 SER 74 HB3 SER 74 1.977 -11.415 3.863 523 HG SER 74 HG SER 74 1.466 -13.186 2.797 524 H ILE 75 H ILE 75 -0.167 -9.553 4.329 525 HA ILE 75 HA ILE 75 0.552 -6.768 4.188 526 HB ILE 75 HB ILE 75 -0.594 -8.373 6.522 527 HG12 ILE 75 HG12 ILE 75 -2.094 -8.413 4.552 528 HG13 ILE 75 HG13 ILE 75 -2.798 -7.474 5.859 529 HG21 ILE 75 HG21 ILE 75 0.445 -6.297 7.324 530 HG22 ILE 75 HG22 ILE 75 -1.311 -6.191 7.454 531 HG23 ILE 75 HG23 ILE 75 -0.474 -5.356 6.143 532 HD11 ILE 75 HD11 ILE 75 -1.462 -6.354 3.396 533 HD12 ILE 75 HD12 ILE 75 -2.171 -5.402 4.703 534 HD13 ILE 75 HD13 ILE 75 -3.195 -6.436 3.708 535 HA PRO 76 HA PRO 76 4.521 -7.646 6.298 536 HB2 PRO 76 HB2 PRO 76 5.591 -5.082 5.691 537 HB3 PRO 76 HB3 PRO 76 5.820 -6.564 4.751 538 HG2 PRO 76 HG2 PRO 76 4.365 -4.242 3.968 539 HG3 PRO 76 HG3 PRO 76 4.518 -5.771 3.081 540 HD2 PRO 76 HD2 PRO 76 2.270 -4.786 4.752 541 HD3 PRO 76 HD3 PRO 76 2.262 -5.993 3.448 542 H LYS 77 H LYS 77 3.370 -7.683 8.275 543 HA LYS 77 HA LYS 77 3.138 -7.197 10.470 544 HB2 LYS 77 HB2 LYS 77 4.485 -4.528 9.895 545 HB3 LYS 77 HB3 LYS 77 4.161 -5.179 11.498 546 HG2 LYS 77 HG2 LYS 77 5.774 -6.948 11.186 547 HG3 LYS 77 HG3 LYS 77 5.980 -6.527 9.480 548 HD2 LYS 77 HD2 LYS 77 6.905 -4.312 10.162 549 HD3 LYS 77 HD3 LYS 77 6.743 -4.780 11.859 550 HE2 LYS 77 HE2 LYS 77 8.354 -6.596 11.529 551 HE3 LYS 77 HE3 LYS 77 8.466 -6.207 9.809 552 HZ1 LYS 77 HZ1 LYS 77 9.343 -4.037 10.390 553 HZ2 LYS 77 HZ2 LYS 77 10.305 -5.266 11.044 554 HZ3 LYS 77 HZ3 LYS 77 9.242 -4.405 12.039 555 H GLY 78 H GLY 78 2.736 -4.078 8.885 556 HA2 GLY 78 HA2 GLY 78 0.141 -3.571 8.620 557 HA3 GLY 78 HA3 GLY 78 0.320 -3.431 10.379 558 H GLU 79 H GLU 79 2.761 -2.416 10.720 559 HA GLU 79 HA GLU 79 2.750 0.275 9.734 560 HB2 GLU 79 HB2 GLU 79 4.959 0.458 10.952 561 HB3 GLU 79 HB3 GLU 79 3.631 -0.080 11.967 562 HG2 GLU 79 HG2 GLU 79 4.451 -2.398 11.831 563 HG3 GLU 79 HG3 GLU 79 5.754 -1.885 10.766 564 H TRP 80 H TRP 80 2.728 -0.133 7.460 565 HA TRP 80 HA TRP 80 5.270 -1.044 6.258 566 HB2 TRP 80 HB2 TRP 80 3.424 -2.339 5.403 567 HB3 TRP 80 HB3 TRP 80 2.425 -0.907 5.182 568 HD1 TRP 80 HD1 TRP 80 5.541 -2.613 3.601 569 HE1 TRP 80 HE1 TRP 80 5.706 -1.831 1.155 570 HE3 TRP 80 HE3 TRP 80 1.752 0.810 3.588 571 HZ2 TRP 80 HZ2 TRP 80 4.408 -0.007 -0.548 572 HZ3 TRP 80 HZ3 TRP 80 1.275 2.044 1.505 573 HH2 TRP 80 HH2 TRP 80 2.584 1.642 -0.520 574 H LEU 81 H LEU 81 6.531 0.524 5.513 575 HA LEU 81 HA LEU 81 5.547 3.269 5.160 576 HB2 LEU 81 HB2 LEU 81 8.384 2.157 5.048 577 HB3 LEU 81 HB3 LEU 81 7.948 3.860 5.036 578 HG LEU 81 HG LEU 81 7.523 1.941 7.365 579 HD11 LEU 81 HD11 LEU 81 9.556 4.173 7.053 580 HD12 LEU 81 HD12 LEU 81 9.893 2.440 7.027 581 HD13 LEU 81 HD13 LEU 81 9.301 3.195 8.504 582 HD21 LEU 81 HD21 LEU 81 5.787 3.660 7.322 583 HD22 LEU 81 HD22 LEU 81 7.012 4.928 7.221 584 HD23 LEU 81 HD23 LEU 81 6.891 3.926 8.670 585 H CYS 82 H CYS 82 4.895 3.829 3.172 586 HA CYS 82 HA CYS 82 5.507 2.538 0.726 587 HB2 CYS 82 HB2 CYS 82 4.488 4.562 -0.309 588 HB3 CYS 82 HB3 CYS 82 3.501 3.965 1.020 589 HA PRO 83 HA PRO 83 9.548 4.167 -0.350 590 HB2 PRO 83 HB2 PRO 83 9.240 4.936 -3.022 591 HB3 PRO 83 HB3 PRO 83 9.522 3.277 -2.468 592 HG2 PRO 83 HG2 PRO 83 6.946 4.584 -3.241 593 HG3 PRO 83 HG3 PRO 83 7.518 2.933 -3.566 594 HD2 PRO 83 HD2 PRO 83 5.717 3.440 -1.615 595 HD3 PRO 83 HD3 PRO 83 6.938 2.160 -1.447 596 H ARG 84 H ARG 84 6.774 6.229 -0.729 597 HA ARG 84 HA ARG 84 8.017 8.735 -1.105 598 HB2 ARG 84 HB2 ARG 84 5.603 8.407 -1.389 599 HB3 ARG 84 HB3 ARG 84 5.426 7.945 0.295 600 HG2 ARG 84 HG2 ARG 84 5.934 10.244 0.998 601 HG3 ARG 84 HG3 ARG 84 6.167 10.716 -0.687 602 HD2 ARG 84 HD2 ARG 84 3.837 10.298 -1.199 603 HD3 ARG 84 HD3 ARG 84 3.565 9.568 0.387 604 HE ARG 84 HE ARG 84 4.444 12.179 0.829 605 HH11 ARG 84 HH11 ARG 84 1.654 10.629 -0.715 606 HH12 ARG 84 HH12 ARG 84 0.591 11.952 -0.343 607 HH21 ARG 84 HH21 ARG 84 2.996 13.871 1.339 608 HH22 ARG 84 HH22 ARG 84 1.343 13.769 0.809 609 H CYS 85 H CYS 85 7.505 6.780 1.782 610 HA CYS 85 HA CYS 85 8.111 8.850 3.716 611 HB2 CYS 85 HB2 CYS 85 7.984 5.823 4.073 612 HB3 CYS 85 HB3 CYS 85 7.893 7.040 5.357 613 H VAL 86 H VAL 86 9.846 6.222 2.167 614 HA VAL 86 HA VAL 86 12.147 6.392 3.939 615 HB VAL 86 HB VAL 86 11.803 4.716 1.417 616 HG11 VAL 86 HG11 VAL 86 13.576 3.282 2.369 617 HG12 VAL 86 HG12 VAL 86 13.749 4.385 3.737 618 HG13 VAL 86 HG13 VAL 86 14.158 4.925 2.106 619 HG21 VAL 86 HG21 VAL 86 11.189 3.953 4.298 620 HG22 VAL 86 HG22 VAL 86 11.134 2.862 2.910 621 HG23 VAL 86 HG23 VAL 86 10.004 4.215 3.013 622 H VAL 87 H VAL 87 11.279 7.287 0.599 623 HA VAL 87 HA VAL 87 13.966 8.427 0.119 624 HB VAL 87 HB VAL 87 11.809 8.221 -2.027 625 HG11 VAL 87 HG11 VAL 87 13.716 8.058 -3.574 626 HG12 VAL 87 HG12 VAL 87 14.844 8.103 -2.217 627 HG13 VAL 87 HG13 VAL 87 13.838 9.509 -2.576 628 HG21 VAL 87 HG21 VAL 87 11.930 5.953 -1.066 629 HG22 VAL 87 HG22 VAL 87 13.678 5.926 -1.306 630 HG23 VAL 87 HG23 VAL 87 12.599 5.988 -2.699 631 H GLU 88 H GLU 88 11.563 9.643 1.755 632 HA GLU 88 HA GLU 88 11.061 12.115 0.381 633 HB2 GLU 88 HB2 GLU 88 10.147 12.975 2.471 634 HB3 GLU 88 HB3 GLU 88 9.525 11.374 2.130 635 HG2 GLU 88 HG2 GLU 88 9.874 11.312 4.414 636 HG3 GLU 88 HG3 GLU 88 11.319 10.528 3.788 637 H GLU 89 H GLU 89 11.913 14.250 1.080 638 HA GLU 89 HA GLU 89 14.809 14.005 0.789 639 HB2 GLU 89 HB2 GLU 89 12.899 16.359 0.472 640 HB3 GLU 89 HB3 GLU 89 14.614 16.405 0.068 641 HG2 GLU 89 HG2 GLU 89 14.328 14.838 -1.730 642 HG3 GLU 89 HG3 GLU 89 12.685 14.450 -1.213 643 H VAL 90 H VAL 90 14.302 13.400 3.351 644 HA VAL 90 HA VAL 90 14.598 13.827 5.524 645 HB VAL 90 HB VAL 90 16.872 13.513 4.650 646 HG11 VAL 90 HG11 VAL 90 17.203 16.519 4.643 647 HG12 VAL 90 HG12 VAL 90 17.134 15.480 3.223 648 HG13 VAL 90 HG13 VAL 90 18.477 15.328 4.357 649 HG21 VAL 90 HG21 VAL 90 16.514 13.653 7.059 650 HG22 VAL 90 HG22 VAL 90 16.784 15.398 7.021 651 HG23 VAL 90 HG23 VAL 90 18.099 14.289 6.621 652 H SER 91 H SER 91 12.610 15.138 5.422 653 HA SER 91 HA SER 91 12.646 17.986 5.418 654 HB2 SER 91 HB2 SER 91 10.279 17.801 6.182 655 HB3 SER 91 HB3 SER 91 10.607 16.709 4.836 656 HG SER 91 HG SER 91 10.230 15.045 6.084 657 H LYS 92 H LYS 92 13.365 15.655 7.825 658 HA LYS 92 HA LYS 92 13.922 17.744 9.802 659 HB2 LYS 92 HB2 LYS 92 11.725 16.810 10.435 660 HB3 LYS 92 HB3 LYS 92 12.383 15.177 10.395 661 HG2 LYS 92 HG2 LYS 92 13.910 15.791 12.285 662 HG3 LYS 92 HG3 LYS 92 13.145 17.383 12.349 663 HD2 LYS 92 HD2 LYS 92 12.197 15.854 14.062 664 HD3 LYS 92 HD3 LYS 92 10.974 16.342 12.885 665 HE2 LYS 92 HE2 LYS 92 11.323 14.182 11.680 666 HE3 LYS 92 HE3 LYS 92 12.473 13.703 12.930 667 HZ1 LYS 92 HZ1 LYS 92 10.713 13.810 14.552 668 HZ2 LYS 92 HZ2 LYS 92 10.287 12.762 13.300 669 HZ3 LYS 92 HZ3 LYS 92 9.603 14.306 13.382 670 HA PRO 93 HA PRO 93 17.619 14.946 9.469 671 HB2 PRO 93 HB2 PRO 93 19.082 17.487 10.041 672 HB3 PRO 93 HB3 PRO 93 19.303 16.344 8.700 673 HG2 PRO 93 HG2 PRO 93 18.231 18.779 8.293 674 HG3 PRO 93 HG3 PRO 93 17.691 17.356 7.368 675 HD2 PRO 93 HD2 PRO 93 16.369 18.670 9.746 676 HD3 PRO 93 HD3 PRO 93 15.640 18.076 8.234 677 H GLN 94 H GLN 94 16.867 13.978 11.417 678 HA GLN 94 HA GLN 94 18.267 14.763 13.823 679 HB2 GLN 94 HB2 GLN 94 16.233 16.171 14.012 680 HB3 GLN 94 HB3 GLN 94 15.208 14.754 13.810 681 HG2 GLN 94 HG2 GLN 94 16.143 13.830 15.932 682 HG3 GLN 94 HG3 GLN 94 17.064 15.317 16.143 683 HE21 GLN 94 HE21 GLN 94 15.951 17.225 16.712 684 HE22 GLN 94 HE22 GLN 94 14.332 17.200 17.314 Start of MODEL 13 1 H1 SER 1 H1 SER 1 26.102 68.852 -55.402 2 H2 SER 1 H2 SER 1 25.438 68.122 -54.036 3 H3 SER 1 H3 SER 1 26.667 69.269 -53.867 4 HA SER 1 HA SER 1 24.539 70.182 -53.290 5 HB2 SER 1 HB2 SER 1 25.608 71.350 -55.901 6 HB3 SER 1 HB3 SER 1 24.730 72.223 -54.638 7 HG SER 1 HG SER 1 27.326 71.897 -54.837 8 H HIS 2 H HIS 2 23.059 68.370 -53.684 9 HA HIS 2 HA HIS 2 21.200 68.938 -55.899 10 HB2 HIS 2 HB2 HIS 2 22.542 66.986 -56.641 11 HB3 HIS 2 HB3 HIS 2 22.185 66.141 -55.138 12 HD2 HIS 2 HD2 HIS 2 20.414 67.109 -58.504 13 HE1 HIS 2 HE1 HIS 2 17.980 64.372 -56.393 14 HE2 HIS 2 HE2 HIS 2 18.380 65.511 -58.618 15 H MET 3 H MET 3 19.097 68.873 -55.279 16 HA MET 3 HA MET 3 18.462 68.709 -52.470 17 HB2 MET 3 HB2 MET 3 16.643 69.183 -54.869 18 HB3 MET 3 HB3 MET 3 16.162 69.350 -53.183 19 HG2 MET 3 HG2 MET 3 16.557 71.541 -54.042 20 HG3 MET 3 HG3 MET 3 17.893 71.166 -52.957 21 HE1 MET 3 HE1 MET 3 19.543 73.411 -55.765 22 HE2 MET 3 HE2 MET 3 19.193 73.274 -54.041 23 HE3 MET 3 HE3 MET 3 17.884 73.559 -55.190 24 H SER 4 H SER 4 18.828 66.548 -51.933 25 HA SER 4 HA SER 4 16.904 64.557 -53.013 26 HB2 SER 4 HB2 SER 4 19.252 64.077 -53.698 27 HB3 SER 4 HB3 SER 4 19.736 64.037 -52.001 28 HG SER 4 HG SER 4 18.015 62.284 -53.391 29 H GLY 5 H GLY 5 15.824 63.278 -51.530 30 HA2 GLY 5 HA2 GLY 5 15.821 64.120 -48.716 31 HA3 GLY 5 HA3 GLY 5 14.671 63.049 -49.504 32 H GLY 6 H GLY 6 15.726 60.947 -50.352 33 HA2 GLY 6 HA2 GLY 6 16.774 58.948 -49.964 34 HA3 GLY 6 HA3 GLY 6 18.011 59.833 -49.082 35 H SER 7 H SER 7 14.541 59.643 -48.340 36 HA SER 7 HA SER 7 15.027 57.975 -45.972 37 HB2 SER 7 HB2 SER 7 13.696 59.661 -44.575 38 HB3 SER 7 HB3 SER 7 15.316 60.176 -45.043 39 HG SER 7 HG SER 7 14.029 61.874 -45.492 40 HA PRO 8 HA PRO 8 11.083 56.498 -47.771 41 HB2 PRO 8 HB2 PRO 8 10.944 54.125 -46.387 42 HB3 PRO 8 HB3 PRO 8 12.001 54.357 -47.797 43 HG2 PRO 8 HG2 PRO 8 12.708 54.413 -44.884 44 HG3 PRO 8 HG3 PRO 8 13.606 53.713 -46.248 45 HD2 PRO 8 HD2 PRO 8 14.222 56.151 -45.132 46 HD3 PRO 8 HD3 PRO 8 14.575 55.731 -46.822 47 H LEU 9 H LEU 9 10.074 58.329 -46.699 48 HA LEU 9 HA LEU 9 9.003 58.064 -44.009 49 HB2 LEU 9 HB2 LEU 9 8.460 60.159 -46.152 50 HB3 LEU 9 HB3 LEU 9 7.980 60.276 -44.465 51 HG LEU 9 HG LEU 9 10.861 60.245 -45.472 52 HD11 LEU 9 HD11 LEU 9 9.734 62.315 -46.105 53 HD12 LEU 9 HD12 LEU 9 10.929 62.618 -44.847 54 HD13 LEU 9 HD13 LEU 9 9.210 62.573 -44.437 55 HD21 LEU 9 HD21 LEU 9 9.791 60.663 -42.657 56 HD22 LEU 9 HD22 LEU 9 11.474 60.853 -43.160 57 HD23 LEU 9 HD23 LEU 9 10.709 59.269 -43.238 58 H ALA 10 H ALA 10 7.414 56.571 -43.788 59 HA ALA 10 HA ALA 10 4.961 56.704 -45.372 60 HB1 ALA 10 HB1 ALA 10 5.078 54.358 -46.131 61 HB2 ALA 10 HB2 ALA 10 6.692 54.197 -45.435 62 HB3 ALA 10 HB3 ALA 10 6.422 55.291 -46.795 63 H THR 11 H THR 11 3.396 54.947 -44.606 64 HA THR 11 HA THR 11 3.379 54.779 -41.700 65 HB THR 11 HB THR 11 1.372 53.612 -43.691 66 HG1 THR 11 HG1 THR 11 1.922 56.152 -43.230 67 HG21 THR 11 HG21 THR 11 -0.221 53.723 -41.800 68 HG22 THR 11 HG22 THR 11 1.060 54.317 -40.742 69 HG23 THR 11 HG23 THR 11 1.149 52.682 -41.401 70 H GLY 12 H GLY 12 5.202 53.483 -41.361 71 HA2 GLY 12 HA2 GLY 12 5.509 50.857 -42.614 72 HA3 GLY 12 HA3 GLY 12 6.640 51.665 -41.542 73 H THR 13 H THR 13 3.648 51.813 -40.111 74 HA THR 13 HA THR 13 4.271 49.674 -38.232 75 HB THR 13 HB THR 13 3.580 51.882 -37.355 76 HG1 THR 13 HG1 THR 13 2.446 50.989 -35.765 77 HG21 THR 13 HG21 THR 13 2.008 52.602 -39.117 78 HG22 THR 13 HG22 THR 13 1.235 52.657 -37.530 79 HG23 THR 13 HG23 THR 13 0.879 51.332 -38.639 80 H THR 14 H THR 14 2.948 47.907 -37.826 81 HA THR 14 HA THR 14 0.521 47.390 -39.347 82 HB THR 14 HB THR 14 2.880 45.447 -39.573 83 HG1 THR 14 HG1 THR 14 1.945 47.473 -41.315 84 HG21 THR 14 HG21 THR 14 1.488 44.310 -41.267 85 HG22 THR 14 HG22 THR 14 0.188 45.472 -40.999 86 HG23 THR 14 HG23 THR 14 0.652 44.356 -39.711 87 H ALA 15 H ALA 15 -0.504 47.362 -37.314 88 HA ALA 15 HA ALA 15 0.331 45.447 -35.250 89 HB1 ALA 15 HB1 ALA 15 -0.358 47.702 -34.552 90 HB2 ALA 15 HB2 ALA 15 -1.437 46.481 -33.877 91 HB3 ALA 15 HB3 ALA 15 -1.956 47.454 -35.257 92 H ASN 16 H ASN 16 -0.330 43.392 -35.486 93 HA ASN 16 HA ASN 16 -3.084 42.720 -36.237 94 HB2 ASN 16 HB2 ASN 16 -1.888 42.750 -38.394 95 HB3 ASN 16 HB3 ASN 16 -0.625 41.713 -37.744 96 HD21 ASN 16 HD21 ASN 16 -0.946 40.174 -39.352 97 HD22 ASN 16 HD22 ASN 16 -2.323 39.136 -39.390 98 H THR 17 H THR 17 -3.226 42.100 -34.026 99 HA THR 17 HA THR 17 -2.185 39.401 -33.453 100 HB THR 17 HB THR 17 -1.877 40.197 -30.990 101 HG1 THR 17 HG1 THR 17 -1.489 42.752 -32.171 102 HG21 THR 17 HG21 THR 17 0.077 39.605 -32.383 103 HG22 THR 17 HG22 THR 17 0.441 40.980 -31.337 104 HG23 THR 17 HG23 THR 17 0.107 41.239 -33.052 105 H ARG 18 H ARG 18 -4.018 38.263 -33.378 106 HA ARG 18 HA ARG 18 -6.345 39.173 -31.789 107 HB2 ARG 18 HB2 ARG 18 -6.883 39.754 -34.090 108 HB3 ARG 18 HB3 ARG 18 -6.336 38.187 -34.678 109 HG2 ARG 18 HG2 ARG 18 -8.240 37.114 -33.448 110 HG3 ARG 18 HG3 ARG 18 -8.811 38.722 -32.994 111 HD2 ARG 18 HD2 ARG 18 -9.238 39.292 -35.308 112 HD3 ARG 18 HD3 ARG 18 -8.443 37.813 -35.871 113 HE ARG 18 HE ARG 18 -10.680 37.326 -34.120 114 HH11 ARG 18 HH11 ARG 18 -9.801 37.891 -37.485 115 HH12 ARG 18 HH12 ARG 18 -11.218 37.113 -38.107 116 HH21 ARG 18 HH21 ARG 18 -12.502 36.287 -34.956 117 HH22 ARG 18 HH22 ARG 18 -12.742 36.208 -36.674 118 H GLY 19 H GLY 19 -7.216 37.570 -30.568 119 HA2 GLY 19 HA2 GLY 19 -7.920 35.076 -30.928 120 HA3 GLY 19 HA3 GLY 19 -6.187 34.813 -30.786 121 H ALA 20 H ALA 20 -9.089 35.084 -29.079 122 HA ALA 20 HA ALA 20 -7.741 34.741 -26.529 123 HB1 ALA 20 HB1 ALA 20 -8.947 36.548 -25.380 124 HB2 ALA 20 HB2 ALA 20 -9.677 37.064 -26.901 125 HB3 ALA 20 HB3 ALA 20 -7.933 37.211 -26.663 126 H SER 21 H SER 21 -8.667 32.661 -26.749 127 HA SER 21 HA SER 21 -11.360 32.435 -25.635 128 HB2 SER 21 HB2 SER 21 -10.601 31.038 -28.251 129 HB3 SER 21 HB3 SER 21 -12.086 30.764 -27.339 130 HG SER 21 HG SER 21 -12.349 33.167 -27.636 131 H GLN 22 H GLN 22 -10.520 31.527 -23.772 132 HA GLN 22 HA GLN 22 -8.977 29.008 -23.943 133 HB2 GLN 22 HB2 GLN 22 -9.558 30.886 -21.609 134 HB3 GLN 22 HB3 GLN 22 -8.967 29.251 -21.347 135 HG2 GLN 22 HG2 GLN 22 -7.070 30.666 -21.225 136 HG3 GLN 22 HG3 GLN 22 -6.958 29.820 -22.762 137 HE21 GLN 22 HE21 GLN 22 -7.241 31.009 -24.700 138 HE22 GLN 22 HE22 GLN 22 -7.149 32.735 -24.721 139 H LYS 23 H LYS 23 -9.660 27.387 -22.188 140 HA LYS 23 HA LYS 23 -12.335 27.219 -21.251 141 HB2 LYS 23 HB2 LYS 23 -13.088 25.243 -22.554 142 HB3 LYS 23 HB3 LYS 23 -12.840 26.634 -23.602 143 HG2 LYS 23 HG2 LYS 23 -10.689 25.698 -24.365 144 HG3 LYS 23 HG3 LYS 23 -10.902 24.311 -23.288 145 HD2 LYS 23 HD2 LYS 23 -12.971 23.685 -24.546 146 HD3 LYS 23 HD3 LYS 23 -12.707 25.051 -25.635 147 HE2 LYS 23 HE2 LYS 23 -10.600 24.053 -26.403 148 HE3 LYS 23 HE3 LYS 23 -10.799 22.715 -25.269 149 HZ1 LYS 23 HZ1 LYS 23 -11.468 22.116 -27.515 150 HZ2 LYS 23 HZ2 LYS 23 -12.635 23.341 -27.522 151 HZ3 LYS 23 HZ3 LYS 23 -12.776 22.042 -26.452 152 H LYS 24 H LYS 24 -12.398 24.338 -20.982 153 HA LYS 24 HA LYS 24 -11.532 22.514 -19.993 154 HB2 LYS 24 HB2 LYS 24 -9.358 23.172 -21.265 155 HB3 LYS 24 HB3 LYS 24 -8.797 23.839 -19.746 156 HG2 LYS 24 HG2 LYS 24 -9.554 20.926 -20.168 157 HG3 LYS 24 HG3 LYS 24 -7.908 21.553 -20.289 158 HD2 LYS 24 HD2 LYS 24 -8.082 22.299 -17.891 159 HD3 LYS 24 HD3 LYS 24 -9.664 21.515 -17.796 160 HE2 LYS 24 HE2 LYS 24 -8.546 19.347 -18.388 161 HE3 LYS 24 HE3 LYS 24 -6.985 20.175 -18.302 162 HZ1 LYS 24 HZ1 LYS 24 -8.939 19.825 -16.096 163 HZ2 LYS 24 HZ2 LYS 24 -7.528 20.749 -15.979 164 HZ3 LYS 24 HZ3 LYS 24 -7.425 19.081 -16.234 165 H GLY 25 H GLY 25 -12.697 22.556 -18.171 166 HA2 GLY 25 HA2 GLY 25 -11.801 22.948 -15.625 167 HA3 GLY 25 HA3 GLY 25 -12.394 24.540 -16.088 168 H GLY 26 H GLY 26 -14.421 23.021 -17.868 169 HA2 GLY 26 HA2 GLY 26 -16.583 22.901 -15.940 170 HA3 GLY 26 HA3 GLY 26 -16.685 22.666 -17.675 171 H GLU 27 H GLU 27 -14.300 20.678 -16.334 172 HA GLU 27 HA GLU 27 -15.816 18.245 -16.567 173 HB2 GLU 27 HB2 GLU 27 -13.675 17.173 -15.757 174 HB3 GLU 27 HB3 GLU 27 -13.463 18.208 -17.167 175 HG2 GLU 27 HG2 GLU 27 -12.619 20.022 -15.711 176 HG3 GLU 27 HG3 GLU 27 -12.806 18.974 -14.303 177 HA PRO 28 HA PRO 28 -16.837 18.277 -12.094 178 HB2 PRO 28 HB2 PRO 28 -19.014 16.642 -12.231 179 HB3 PRO 28 HB3 PRO 28 -19.053 18.311 -12.833 180 HG2 PRO 28 HG2 PRO 28 -19.095 15.798 -14.376 181 HG3 PRO 28 HG3 PRO 28 -19.563 17.432 -14.880 182 HD2 PRO 28 HD2 PRO 28 -17.023 16.044 -15.359 183 HD3 PRO 28 HD3 PRO 28 -17.592 17.587 -16.034 184 HA PRO 29 HA PRO 29 -14.763 14.199 -11.277 185 HB2 PRO 29 HB2 PRO 29 -13.252 15.534 -9.147 186 HB3 PRO 29 HB3 PRO 29 -12.634 14.816 -10.644 187 HG2 PRO 29 HG2 PRO 29 -12.593 17.514 -10.141 188 HG3 PRO 29 HG3 PRO 29 -12.636 16.814 -11.777 189 HD2 PRO 29 HD2 PRO 29 -14.914 17.943 -10.151 190 HD3 PRO 29 HD3 PRO 29 -14.554 18.145 -11.879 191 H ALA 30 H ALA 30 -15.476 12.774 -9.719 192 HA ALA 30 HA ALA 30 -17.694 13.553 -8.079 193 HB1 ALA 30 HB1 ALA 30 -17.819 11.181 -7.450 194 HB2 ALA 30 HB2 ALA 30 -16.230 10.888 -8.167 195 HB3 ALA 30 HB3 ALA 30 -17.588 11.359 -9.192 196 H LEU 31 H LEU 31 -14.317 13.388 -7.487 197 HA LEU 31 HA LEU 31 -14.539 13.043 -4.595 198 HB2 LEU 31 HB2 LEU 31 -11.986 13.124 -4.707 199 HB3 LEU 31 HB3 LEU 31 -12.782 11.772 -5.483 200 HG LEU 31 HG LEU 31 -12.430 12.917 -7.724 201 HD11 LEU 31 HD11 LEU 31 -10.778 14.705 -7.934 202 HD12 LEU 31 HD12 LEU 31 -10.656 14.820 -6.177 203 HD13 LEU 31 HD13 LEU 31 -12.167 15.233 -6.988 204 HD21 LEU 31 HD21 LEU 31 -10.061 12.318 -7.912 205 HD22 LEU 31 HD22 LEU 31 -10.952 11.119 -6.978 206 HD23 LEU 31 HD23 LEU 31 -9.915 12.286 -6.151 207 H ILE 32 H ILE 32 -15.257 15.676 -6.254 208 HA ILE 32 HA ILE 32 -13.669 17.681 -4.963 209 HB ILE 32 HB ILE 32 -15.466 19.308 -5.628 210 HG12 ILE 32 HG12 ILE 32 -16.847 16.809 -6.730 211 HG13 ILE 32 HG13 ILE 32 -17.444 17.847 -5.441 212 HG21 ILE 32 HG21 ILE 32 -14.499 17.473 -7.853 213 HG22 ILE 32 HG22 ILE 32 -13.595 18.813 -7.140 214 HG23 ILE 32 HG23 ILE 32 -15.069 19.134 -8.054 215 HD11 ILE 32 HD11 ILE 32 -18.638 18.248 -7.496 216 HD12 ILE 32 HD12 ILE 32 -17.139 18.622 -8.345 217 HD13 ILE 32 HD13 ILE 32 -17.713 19.679 -7.051 218 H VAL 33 H VAL 33 -16.356 15.800 -3.972 219 HA VAL 33 HA VAL 33 -16.544 17.136 -1.357 220 HB VAL 33 HB VAL 33 -17.862 14.523 -2.264 221 HG11 VAL 33 HG11 VAL 33 -19.407 14.892 -0.359 222 HG12 VAL 33 HG12 VAL 33 -18.509 16.344 0.095 223 HG13 VAL 33 HG13 VAL 33 -17.734 14.759 0.189 224 HG21 VAL 33 HG21 VAL 33 -19.059 17.319 -2.306 225 HG22 VAL 33 HG22 VAL 33 -19.928 15.821 -2.649 226 HG23 VAL 33 HG23 VAL 33 -18.627 16.349 -3.718 227 H ASP 34 H ASP 34 -14.940 16.644 0.055 228 HA ASP 34 HA ASP 34 -13.081 15.802 0.991 229 HB2 ASP 34 HB2 ASP 34 -14.546 13.864 1.611 230 HB3 ASP 34 HB3 ASP 34 -14.112 13.069 0.107 231 HA PRO 35 HA PRO 35 -10.796 15.565 -3.019 232 HB2 PRO 35 HB2 PRO 35 -9.397 17.867 -2.827 233 HB3 PRO 35 HB3 PRO 35 -11.132 17.877 -3.203 234 HG2 PRO 35 HG2 PRO 35 -9.766 18.540 -0.630 235 HG3 PRO 35 HG3 PRO 35 -11.222 19.254 -1.353 236 HD2 PRO 35 HD2 PRO 35 -11.168 17.249 0.659 237 HD3 PRO 35 HD3 PRO 35 -12.589 17.766 -0.272 238 H LEU 36 H LEU 36 -9.746 15.465 0.266 239 HA LEU 36 HA LEU 36 -6.889 15.287 -0.322 240 HB2 LEU 36 HB2 LEU 36 -8.070 16.366 1.797 241 HB3 LEU 36 HB3 LEU 36 -8.101 14.727 2.397 242 HG LEU 36 HG LEU 36 -6.199 16.054 3.299 243 HD11 LEU 36 HD11 LEU 36 -4.393 14.450 2.968 244 HD12 LEU 36 HD12 LEU 36 -5.240 13.755 1.582 245 HD13 LEU 36 HD13 LEU 36 -5.937 13.627 3.197 246 HD21 LEU 36 HD21 LEU 36 -5.163 16.150 0.448 247 HD22 LEU 36 HD22 LEU 36 -4.327 16.740 1.888 248 HD23 LEU 36 HD23 LEU 36 -5.819 17.513 1.360 249 H MET 37 H MET 37 -8.843 13.121 1.781 250 HA MET 37 HA MET 37 -8.780 10.859 0.094 251 HB2 MET 37 HB2 MET 37 -7.210 9.372 1.262 252 HB3 MET 37 HB3 MET 37 -6.358 10.781 0.655 253 HG2 MET 37 HG2 MET 37 -6.285 11.740 2.902 254 HG3 MET 37 HG3 MET 37 -7.217 10.382 3.531 255 HE1 MET 37 HE1 MET 37 -4.537 11.293 4.867 256 HE2 MET 37 HE2 MET 37 -3.712 9.754 5.106 257 HE3 MET 37 HE3 MET 37 -5.443 9.880 5.418 258 H LYS 38 H LYS 38 -10.629 9.923 0.655 259 HA LYS 38 HA LYS 38 -11.598 9.723 3.415 260 HB2 LYS 38 HB2 LYS 38 -13.163 10.180 1.525 261 HB3 LYS 38 HB3 LYS 38 -12.653 8.691 0.742 262 HG2 LYS 38 HG2 LYS 38 -13.546 7.644 3.076 263 HG3 LYS 38 HG3 LYS 38 -14.554 9.094 3.026 264 HD2 LYS 38 HD2 LYS 38 -15.558 8.433 0.939 265 HD3 LYS 38 HD3 LYS 38 -14.343 7.182 0.663 266 HE2 LYS 38 HE2 LYS 38 -15.241 5.941 2.639 267 HE3 LYS 38 HE3 LYS 38 -16.504 7.162 2.792 268 HZ1 LYS 38 HZ1 LYS 38 -17.255 5.194 1.594 269 HZ2 LYS 38 HZ2 LYS 38 -16.074 5.436 0.417 270 HZ3 LYS 38 HZ3 LYS 38 -17.312 6.567 0.611 271 H TYR 39 H TYR 39 -9.105 8.614 3.236 272 HA TYR 39 HA TYR 39 -7.679 6.884 3.045 273 HB2 TYR 39 HB2 TYR 39 -10.112 5.330 4.034 274 HB3 TYR 39 HB3 TYR 39 -8.472 4.680 3.991 275 HD1 TYR 39 HD2 TYR 39 -6.703 5.635 5.490 276 HD2 TYR 39 HD1 TYR 39 -10.772 6.918 5.799 277 HE1 TYR 39 HE2 TYR 39 -6.216 6.646 7.673 278 HE2 TYR 39 HE1 TYR 39 -10.282 7.938 7.980 279 HH TYR 39 HH TYR 39 -7.124 8.434 9.117 280 H ILE 40 H ILE 40 -9.000 7.725 0.714 281 HA ILE 40 HA ILE 40 -9.764 5.480 -0.917 282 HB ILE 40 HB ILE 40 -9.299 8.434 -1.493 283 HG12 ILE 40 HG12 ILE 40 -11.820 6.711 -1.553 284 HG13 ILE 40 HG13 ILE 40 -11.382 7.844 -0.280 285 HG21 ILE 40 HG21 ILE 40 -10.102 8.077 -3.800 286 HG22 ILE 40 HG22 ILE 40 -10.113 6.334 -3.531 287 HG23 ILE 40 HG23 ILE 40 -8.587 7.221 -3.506 288 HD11 ILE 40 HD11 ILE 40 -12.097 8.534 -3.130 289 HD12 ILE 40 HD12 ILE 40 -11.572 9.692 -1.906 290 HD13 ILE 40 HD13 ILE 40 -13.072 8.797 -1.685 291 H CYS 41 H CYS 41 -8.426 4.198 -1.954 292 HA CYS 41 HA CYS 41 -5.664 4.188 -1.943 293 HB2 CYS 41 HB2 CYS 41 -7.032 2.208 -2.427 294 HB3 CYS 41 HB3 CYS 41 -7.558 2.916 -3.951 295 H HIS 42 H HIS 42 -4.317 5.493 -2.847 296 HA HIS 42 HA HIS 42 -4.988 7.665 -4.501 297 HB2 HIS 42 HB2 HIS 42 -3.205 7.554 -2.701 298 HB3 HIS 42 HB3 HIS 42 -2.210 6.621 -3.810 299 HD1 HIS 42 HD1 HIS 42 -0.397 8.114 -4.547 300 HD2 HIS 42 HD2 HIS 42 -4.033 10.125 -4.401 301 HE1 HIS 42 HE1 HIS 42 0.093 10.442 -5.325 302 HE2 HIS 42 HE2 HIS 42 -2.134 11.612 -5.320 303 H ILE 43 H ILE 43 -4.500 4.517 -5.466 304 HA ILE 43 HA ILE 43 -3.608 5.245 -8.192 305 HB ILE 43 HB ILE 43 -3.429 2.542 -6.762 306 HG12 ILE 43 HG12 ILE 43 -1.243 4.532 -7.550 307 HG13 ILE 43 HG13 ILE 43 -1.783 4.189 -5.911 308 HG21 ILE 43 HG21 ILE 43 -2.450 3.300 -9.544 309 HG22 ILE 43 HG22 ILE 43 -3.816 2.245 -9.187 310 HG23 ILE 43 HG23 ILE 43 -2.184 1.746 -8.744 311 HD11 ILE 43 HD11 ILE 43 -0.333 2.292 -7.756 312 HD12 ILE 43 HD12 ILE 43 -0.936 1.887 -6.147 313 HD13 ILE 43 HD13 ILE 43 0.316 3.112 -6.335 314 H CYS 44 H CYS 44 -6.157 3.734 -6.258 315 HA CYS 44 HA CYS 44 -7.477 2.465 -8.535 316 HB2 CYS 44 HB2 CYS 44 -8.263 2.571 -5.600 317 HB3 CYS 44 HB3 CYS 44 -9.128 1.678 -6.840 318 H ASN 45 H ASN 45 -7.742 5.390 -6.697 319 HA ASN 45 HA ASN 45 -8.950 7.286 -6.928 320 HB2 ASN 45 HB2 ASN 45 -8.988 6.896 -9.385 321 HB3 ASN 45 HB3 ASN 45 -10.444 5.927 -9.207 322 HD21 ASN 45 HD21 ASN 45 -11.728 7.225 -10.498 323 HD22 ASN 45 HD22 ASN 45 -12.205 8.833 -10.076 324 H ARG 46 H ARG 46 -10.529 4.260 -6.449 325 HA ARG 46 HA ARG 46 -13.039 5.480 -5.497 326 HB2 ARG 46 HB2 ARG 46 -12.395 2.544 -6.053 327 HB3 ARG 46 HB3 ARG 46 -13.981 3.209 -5.663 328 HG2 ARG 46 HG2 ARG 46 -12.361 3.740 -8.182 329 HG3 ARG 46 HG3 ARG 46 -13.842 2.782 -8.056 330 HD2 ARG 46 HD2 ARG 46 -15.112 4.794 -7.447 331 HD3 ARG 46 HD3 ARG 46 -13.633 5.759 -7.477 332 HE ARG 46 HE ARG 46 -14.266 4.412 -9.965 333 HH11 ARG 46 HH11 ARG 46 -14.712 7.364 -8.072 334 HH12 ARG 46 HH12 ARG 46 -15.079 8.337 -9.459 335 HH21 ARG 46 HH21 ARG 46 -14.757 5.710 -11.760 336 HH22 ARG 46 HH22 ARG 46 -15.103 7.399 -11.555 337 H GLY 47 H GLY 47 -10.453 3.247 -4.484 338 HA2 GLY 47 HA2 GLY 47 -9.579 3.059 -2.296 339 HA3 GLY 47 HA3 GLY 47 -11.037 3.800 -1.645 340 H ASP 48 H ASP 48 -12.911 2.550 -1.401 341 HA ASP 48 HA ASP 48 -14.251 0.787 -1.059 342 HB2 ASP 48 HB2 ASP 48 -14.274 0.663 -3.484 343 HB3 ASP 48 HB3 ASP 48 -12.777 -0.261 -3.499 344 H VAL 49 H VAL 49 -11.473 -1.209 -2.114 345 HA VAL 49 HA VAL 49 -11.901 -3.299 -0.299 346 HB VAL 49 HB VAL 49 -9.280 -2.607 -1.717 347 HG11 VAL 49 HG11 VAL 49 -10.238 -5.264 -0.574 348 HG12 VAL 49 HG12 VAL 49 -8.939 -4.258 0.074 349 HG13 VAL 49 HG13 VAL 49 -8.754 -5.023 -1.505 350 HG21 VAL 49 HG21 VAL 49 -10.020 -4.148 -3.504 351 HG22 VAL 49 HG22 VAL 49 -11.136 -2.791 -3.331 352 HG23 VAL 49 HG23 VAL 49 -11.569 -4.374 -2.680 353 H GLU 50 H GLU 50 -11.993 -2.762 1.795 354 HA GLU 50 HA GLU 50 -10.280 -0.792 3.027 355 HB2 GLU 50 HB2 GLU 50 -12.749 -1.013 3.457 356 HB3 GLU 50 HB3 GLU 50 -12.440 -2.546 4.262 357 HG2 GLU 50 HG2 GLU 50 -11.127 -1.398 5.991 358 HG3 GLU 50 HG3 GLU 50 -11.359 0.145 5.168 359 H GLU 51 H GLU 51 -10.597 -4.296 3.038 360 HA GLU 51 HA GLU 51 -8.946 -4.801 5.304 361 HB2 GLU 51 HB2 GLU 51 -9.832 -6.623 3.039 362 HB3 GLU 51 HB3 GLU 51 -9.055 -7.174 4.523 363 HG2 GLU 51 HG2 GLU 51 -11.725 -5.727 4.378 364 HG3 GLU 51 HG3 GLU 51 -11.518 -7.470 4.558 365 H SER 52 H SER 52 -8.135 -4.264 1.909 366 HA SER 52 HA SER 52 -5.301 -4.967 2.473 367 HB2 SER 52 HB2 SER 52 -6.654 -4.599 -0.236 368 HB3 SER 52 HB3 SER 52 -4.983 -5.105 0.040 369 HG SER 52 HG SER 52 -6.724 -6.762 -0.355 370 H MET 53 H MET 53 -7.193 -2.447 2.843 371 HA MET 53 HA MET 53 -5.866 -0.349 1.380 372 HB2 MET 53 HB2 MET 53 -8.267 -0.248 2.017 373 HB3 MET 53 HB3 MET 53 -7.823 -0.232 3.713 374 HG2 MET 53 HG2 MET 53 -6.773 1.959 3.431 375 HG3 MET 53 HG3 MET 53 -7.156 1.934 1.706 376 HE1 MET 53 HE1 MET 53 -9.667 2.082 0.729 377 HE2 MET 53 HE2 MET 53 -11.098 2.101 1.761 378 HE3 MET 53 HE3 MET 53 -10.108 0.646 1.657 379 H LEU 54 H LEU 54 -3.780 -0.166 1.908 380 HA LEU 54 HA LEU 54 -2.754 -0.159 4.628 381 HB2 LEU 54 HB2 LEU 54 -1.400 0.437 1.959 382 HB3 LEU 54 HB3 LEU 54 -0.571 0.262 3.502 383 HG LEU 54 HG LEU 54 -2.065 -1.947 2.029 384 HD11 LEU 54 HD11 LEU 54 0.911 -1.490 2.413 385 HD12 LEU 54 HD12 LEU 54 0.009 -1.342 0.903 386 HD13 LEU 54 HD13 LEU 54 0.176 -2.914 1.676 387 HD21 LEU 54 HD21 LEU 54 -0.492 -2.051 4.628 388 HD22 LEU 54 HD22 LEU 54 -1.114 -3.452 3.751 389 HD23 LEU 54 HD23 LEU 54 -2.235 -2.280 4.438 390 H LEU 55 H LEU 55 -2.302 1.667 5.774 391 HA LEU 55 HA LEU 55 -2.458 4.300 4.417 392 HB2 LEU 55 HB2 LEU 55 -4.291 3.759 6.120 393 HB3 LEU 55 HB3 LEU 55 -3.054 3.733 7.356 394 HG LEU 55 HG LEU 55 -4.432 5.859 7.243 395 HD11 LEU 55 HD11 LEU 55 -1.472 6.321 6.860 396 HD12 LEU 55 HD12 LEU 55 -2.277 5.908 8.376 397 HD13 LEU 55 HD13 LEU 55 -2.627 7.446 7.586 398 HD21 LEU 55 HD21 LEU 55 -4.669 6.033 4.814 399 HD22 LEU 55 HD22 LEU 55 -2.944 6.378 4.651 400 HD23 LEU 55 HD23 LEU 55 -3.999 7.512 5.497 401 H CYS 56 H CYS 56 -0.432 4.932 4.087 402 HA CYS 56 HA CYS 56 1.869 4.141 5.443 403 HB2 CYS 56 HB2 CYS 56 1.941 5.195 3.204 404 HB3 CYS 56 HB3 CYS 56 1.415 6.727 3.896 405 H ASP 57 H ASP 57 2.286 4.482 7.538 406 HA ASP 57 HA ASP 57 1.111 6.680 9.027 407 HB2 ASP 57 HB2 ASP 57 1.347 4.358 9.952 408 HB3 ASP 57 HB3 ASP 57 3.098 4.533 9.914 409 H GLY 58 H GLY 58 3.810 6.348 7.092 410 HA2 GLY 58 HA2 GLY 58 5.229 8.604 8.398 411 HA3 GLY 58 HA3 GLY 58 5.975 7.417 7.343 412 H CYS 59 H CYS 59 2.896 8.814 6.627 413 HA CYS 59 HA CYS 59 3.824 11.067 5.050 414 HB2 CYS 59 HB2 CYS 59 2.897 8.578 3.551 415 HB3 CYS 59 HB3 CYS 59 2.883 10.196 2.846 416 H ASP 60 H ASP 60 1.326 8.853 6.021 417 HA ASP 60 HA ASP 60 -0.893 8.779 6.093 418 HB2 ASP 60 HB2 ASP 60 -0.569 11.789 6.319 419 HB3 ASP 60 HB3 ASP 60 -2.161 11.029 6.348 420 H ASP 61 H ASP 61 -0.461 7.883 3.967 421 HA ASP 61 HA ASP 61 -2.421 9.012 2.116 422 HB2 ASP 61 HB2 ASP 61 0.048 9.574 1.343 423 HB3 ASP 61 HB3 ASP 61 0.160 7.874 0.947 424 H SER 62 H SER 62 -3.562 7.393 1.063 425 HA SER 62 HA SER 62 -3.282 4.703 2.254 426 HB2 SER 62 HB2 SER 62 -5.804 4.619 1.599 427 HB3 SER 62 HB3 SER 62 -5.332 5.658 2.945 428 HG SER 62 HG SER 62 -5.620 6.566 0.275 429 H TYR 63 H TYR 63 -2.722 3.096 0.969 430 HA TYR 63 HA TYR 63 -3.379 3.096 -1.919 431 HB2 TYR 63 HB2 TYR 63 -0.774 2.194 -0.585 432 HB3 TYR 63 HB3 TYR 63 -1.197 1.825 -2.252 433 HD1 TYR 63 HD1 TYR 63 -0.528 4.685 0.077 434 HD2 TYR 63 HD2 TYR 63 -0.676 3.374 -3.988 435 HE1 TYR 63 HE1 TYR 63 0.494 6.793 -0.629 436 HE2 TYR 63 HE2 TYR 63 0.348 5.490 -4.695 437 HH TYR 63 HH TYR 63 1.680 7.746 -2.436 438 H HIS 64 H HIS 64 -3.047 0.732 -2.740 439 HA HIS 64 HA HIS 64 -3.740 -1.271 -0.642 440 HB2 HIS 64 HB2 HIS 64 -4.242 -1.447 -3.642 441 HB3 HIS 64 HB3 HIS 64 -4.572 -2.731 -2.494 442 HD2 HIS 64 HD2 HIS 64 -6.283 -1.266 -0.264 443 HE1 HIS 64 HE1 HIS 64 -8.719 -0.066 -3.485 444 HE2 HIS 64 HE2 HIS 64 -8.647 -0.552 -1.012 445 H THR 65 H THR 65 -2.806 -3.329 -0.880 446 HA THR 65 HA THR 65 -0.038 -3.519 -1.374 447 HB THR 65 HB THR 65 -0.559 -6.048 -1.214 448 HG1 THR 65 HG1 THR 65 -2.759 -6.467 -0.520 449 HG21 THR 65 HG21 THR 65 -1.603 -4.256 1.020 450 HG22 THR 65 HG22 THR 65 0.081 -4.725 0.782 451 HG23 THR 65 HG23 THR 65 -1.121 -5.945 1.191 452 H PHE 66 H PHE 66 -2.871 -4.553 -3.260 453 HA PHE 66 HA PHE 66 -1.328 -5.763 -5.370 454 HB2 PHE 66 HB2 PHE 66 -3.565 -6.218 -6.412 455 HB3 PHE 66 HB3 PHE 66 -3.396 -6.836 -4.779 456 HD1 PHE 66 HD2 PHE 66 -5.113 -4.325 -6.892 457 HD2 PHE 66 HD1 PHE 66 -4.762 -5.952 -2.942 458 HE1 PHE 66 HE2 PHE 66 -7.228 -3.244 -6.250 459 HE2 PHE 66 HE1 PHE 66 -6.880 -4.870 -2.320 460 HZ PHE 66 HZ PHE 66 -8.114 -3.521 -3.971 461 H CYS 67 H CYS 67 -2.552 -2.557 -4.821 462 HA CYS 67 HA CYS 67 -2.752 -1.676 -7.528 463 HB2 CYS 67 HB2 CYS 67 -2.312 -0.135 -4.938 464 HB3 CYS 67 HB3 CYS 67 -2.629 0.629 -6.508 465 H LEU 68 H LEU 68 -0.167 -1.676 -5.136 466 HA LEU 68 HA LEU 68 1.840 -0.456 -6.782 467 HB2 LEU 68 HB2 LEU 68 2.102 -2.265 -4.345 468 HB3 LEU 68 HB3 LEU 68 3.415 -1.332 -5.048 469 HG LEU 68 HG LEU 68 0.934 -0.168 -3.707 470 HD11 LEU 68 HD11 LEU 68 2.440 -1.231 -2.105 471 HD12 LEU 68 HD12 LEU 68 2.446 0.519 -1.915 472 HD13 LEU 68 HD13 LEU 68 3.800 -0.282 -2.716 473 HD21 LEU 68 HD21 LEU 68 3.363 1.289 -4.821 474 HD22 LEU 68 HD22 LEU 68 2.036 2.022 -3.913 475 HD23 LEU 68 HD23 LEU 68 1.732 1.315 -5.496 476 H LEU 69 H LEU 69 3.485 -1.480 -8.028 477 HA LEU 69 HA LEU 69 3.361 -4.420 -8.237 478 HB2 LEU 69 HB2 LEU 69 3.912 -4.171 -10.727 479 HB3 LEU 69 HB3 LEU 69 2.269 -3.895 -10.196 480 HG LEU 69 HG LEU 69 2.850 -1.356 -10.290 481 HD11 LEU 69 HD11 LEU 69 5.283 -1.520 -10.497 482 HD12 LEU 69 HD12 LEU 69 4.583 -0.685 -11.880 483 HD13 LEU 69 HD13 LEU 69 5.111 -2.362 -12.039 484 HD21 LEU 69 HD21 LEU 69 1.313 -2.447 -11.828 485 HD22 LEU 69 HD22 LEU 69 2.660 -2.966 -12.845 486 HD23 LEU 69 HD23 LEU 69 2.287 -1.246 -12.677 487 HA PRO 70 HA PRO 70 4.569 -6.239 -8.657 488 HB2 PRO 70 HB2 PRO 70 6.187 -7.795 -7.068 489 HB3 PRO 70 HB3 PRO 70 6.597 -7.406 -8.753 490 HG2 PRO 70 HG2 PRO 70 7.603 -6.111 -6.232 491 HG3 PRO 70 HG3 PRO 70 8.509 -6.610 -7.678 492 HD2 PRO 70 HD2 PRO 70 7.756 -4.018 -7.267 493 HD3 PRO 70 HD3 PRO 70 7.894 -4.721 -8.894 494 HA PRO 71 HA PRO 71 1.988 -5.306 -5.177 495 HB2 PRO 71 HB2 PRO 71 0.422 -7.597 -5.041 496 HB3 PRO 71 HB3 PRO 71 0.255 -6.361 -6.305 497 HG2 PRO 71 HG2 PRO 71 1.734 -8.972 -6.420 498 HG3 PRO 71 HG3 PRO 71 0.638 -8.249 -7.621 499 HD2 PRO 71 HD2 PRO 71 3.309 -8.100 -7.910 500 HD3 PRO 71 HD3 PRO 71 2.259 -6.748 -8.399 501 H LEU 72 H LEU 72 1.769 -5.550 -2.976 502 HA LEU 72 HA LEU 72 3.747 -7.188 -1.621 503 HB2 LEU 72 HB2 LEU 72 1.709 -5.226 -0.491 504 HB3 LEU 72 HB3 LEU 72 3.013 -5.973 0.419 505 HG LEU 72 HG LEU 72 3.355 -4.002 -1.883 506 HD11 LEU 72 HD11 LEU 72 4.157 -2.422 -0.185 507 HD12 LEU 72 HD12 LEU 72 3.810 -3.592 1.093 508 HD13 LEU 72 HD13 LEU 72 2.494 -2.910 0.133 509 HD21 LEU 72 HD21 LEU 72 5.480 -5.278 -0.118 510 HD22 LEU 72 HD22 LEU 72 5.754 -4.005 -1.313 511 HD23 LEU 72 HD23 LEU 72 5.213 -5.597 -1.835 512 H THR 73 H THR 73 3.003 -9.287 -1.948 513 HA THR 73 HA THR 73 0.372 -10.213 -1.407 514 HB THR 73 HB THR 73 1.511 -12.519 -1.411 515 HG1 THR 73 HG1 THR 73 3.602 -12.507 -1.182 516 HG21 THR 73 HG21 THR 73 2.077 -10.683 -3.775 517 HG22 THR 73 HG22 THR 73 0.558 -11.533 -3.475 518 HG23 THR 73 HG23 THR 73 2.026 -12.447 -3.827 519 H SER 74 H SER 74 3.111 -9.629 0.655 520 HA SER 74 HA SER 74 1.676 -10.584 3.046 521 HB2 SER 74 HB2 SER 74 4.365 -9.173 2.847 522 HB3 SER 74 HB3 SER 74 3.689 -9.944 4.276 523 HG SER 74 HG SER 74 4.439 -11.217 1.859 524 H ILE 75 H ILE 75 0.141 -9.219 3.704 525 HA ILE 75 HA ILE 75 0.140 -6.379 3.101 526 HB ILE 75 HB ILE 75 -1.916 -7.995 4.687 527 HG12 ILE 75 HG12 ILE 75 -1.847 -7.394 1.695 528 HG13 ILE 75 HG13 ILE 75 -1.604 -8.972 2.434 529 HG21 ILE 75 HG21 ILE 75 -2.209 -5.302 3.284 530 HG22 ILE 75 HG22 ILE 75 -2.114 -5.549 5.029 531 HG23 ILE 75 HG23 ILE 75 -3.493 -6.175 4.125 532 HD11 ILE 75 HD11 ILE 75 -3.805 -8.804 1.492 533 HD12 ILE 75 HD12 ILE 75 -4.158 -7.365 2.445 534 HD13 ILE 75 HD13 ILE 75 -3.923 -8.922 3.245 535 HA PRO 76 HA PRO 76 2.101 -5.494 7.231 536 HB2 PRO 76 HB2 PRO 76 1.560 -2.685 6.260 537 HB3 PRO 76 HB3 PRO 76 3.050 -3.376 6.945 538 HG2 PRO 76 HG2 PRO 76 2.875 -2.895 4.343 539 HG3 PRO 76 HG3 PRO 76 3.694 -4.354 4.938 540 HD2 PRO 76 HD2 PRO 76 0.950 -4.094 3.721 541 HD3 PRO 76 HD3 PRO 76 2.170 -5.370 3.493 542 H LYS 77 H LYS 77 1.094 -5.097 9.162 543 HA LYS 77 HA LYS 77 -1.783 -4.896 9.177 544 HB2 LYS 77 HB2 LYS 77 -0.538 -6.429 10.721 545 HB3 LYS 77 HB3 LYS 77 0.154 -5.024 11.530 546 HG2 LYS 77 HG2 LYS 77 -2.070 -4.292 12.239 547 HG3 LYS 77 HG3 LYS 77 -2.818 -5.631 11.360 548 HD2 LYS 77 HD2 LYS 77 -1.648 -7.239 12.850 549 HD3 LYS 77 HD3 LYS 77 -0.934 -5.885 13.735 550 HE2 LYS 77 HE2 LYS 77 -3.908 -6.459 13.500 551 HE3 LYS 77 HE3 LYS 77 -2.903 -6.821 14.904 552 HZ1 LYS 77 HZ1 LYS 77 -2.442 -4.429 15.096 553 HZ2 LYS 77 HZ2 LYS 77 -4.087 -4.783 15.256 554 HZ3 LYS 77 HZ3 LYS 77 -3.504 -4.122 13.815 555 H GLY 78 H GLY 78 -2.123 -2.827 8.345 556 HA2 GLY 78 HA2 GLY 78 -2.841 -0.672 8.567 557 HA3 GLY 78 HA3 GLY 78 -2.436 -0.733 10.273 558 H GLU 79 H GLU 79 -0.109 -0.509 10.799 559 HA GLU 79 HA GLU 79 1.018 1.847 9.756 560 HB2 GLU 79 HB2 GLU 79 1.278 0.867 12.106 561 HB3 GLU 79 HB3 GLU 79 2.448 -0.262 11.446 562 HG2 GLU 79 HG2 GLU 79 2.773 2.755 11.313 563 HG3 GLU 79 HG3 GLU 79 3.384 1.784 12.643 564 H TRP 80 H TRP 80 1.197 1.487 7.539 565 HA TRP 80 HA TRP 80 3.420 -0.206 6.608 566 HB2 TRP 80 HB2 TRP 80 1.358 -0.642 5.443 567 HB3 TRP 80 HB3 TRP 80 1.014 1.071 5.250 568 HD1 TRP 80 HD1 TRP 80 3.790 -1.409 3.986 569 HE1 TRP 80 HE1 TRP 80 4.285 -0.787 1.543 570 HE3 TRP 80 HE3 TRP 80 0.703 2.620 3.562 571 HZ2 TRP 80 HZ2 TRP 80 3.467 1.161 -0.329 572 HZ3 TRP 80 HZ3 TRP 80 0.611 3.827 1.407 573 HH2 TRP 80 HH2 TRP 80 1.971 3.107 -0.497 574 H LEU 81 H LEU 81 5.098 0.744 5.402 575 HA LEU 81 HA LEU 81 5.226 3.704 5.329 576 HB2 LEU 81 HB2 LEU 81 7.483 1.673 5.428 577 HB3 LEU 81 HB3 LEU 81 7.724 3.380 5.117 578 HG LEU 81 HG LEU 81 6.722 2.131 7.705 579 HD11 LEU 81 HD11 LEU 81 9.130 1.879 7.342 580 HD12 LEU 81 HD12 LEU 81 8.808 3.002 8.661 581 HD13 LEU 81 HD13 LEU 81 9.294 3.619 7.078 582 HD21 LEU 81 HD21 LEU 81 6.736 4.422 8.644 583 HD22 LEU 81 HD22 LEU 81 5.541 4.240 7.364 584 HD23 LEU 81 HD23 LEU 81 7.061 5.081 7.036 585 H CYS 82 H CYS 82 5.123 4.559 3.403 586 HA CYS 82 HA CYS 82 4.759 3.093 1.020 587 HB2 CYS 82 HB2 CYS 82 4.691 5.367 -0.024 588 HB3 CYS 82 HB3 CYS 82 3.676 5.253 1.410 589 HA PRO 83 HA PRO 83 8.934 2.943 -0.950 590 HB2 PRO 83 HB2 PRO 83 7.625 4.521 -3.185 591 HB3 PRO 83 HB3 PRO 83 8.650 3.070 -3.279 592 HG2 PRO 83 HG2 PRO 83 6.036 2.819 -3.596 593 HG3 PRO 83 HG3 PRO 83 6.929 1.630 -2.619 594 HD2 PRO 83 HD2 PRO 83 5.161 3.881 -1.683 595 HD3 PRO 83 HD3 PRO 83 5.337 2.236 -1.031 596 H ARG 84 H ARG 84 7.080 5.901 -0.693 597 HA ARG 84 HA ARG 84 9.236 7.760 -1.061 598 HB2 ARG 84 HB2 ARG 84 6.469 8.173 0.155 599 HB3 ARG 84 HB3 ARG 84 7.584 9.458 -0.314 600 HG2 ARG 84 HG2 ARG 84 7.417 8.761 -2.675 601 HG3 ARG 84 HG3 ARG 84 6.313 7.456 -2.219 602 HD2 ARG 84 HD2 ARG 84 4.651 9.072 -1.458 603 HD3 ARG 84 HD3 ARG 84 5.771 10.409 -1.730 604 HE ARG 84 HE ARG 84 4.354 8.847 -3.774 605 HH11 ARG 84 HH11 ARG 84 6.435 11.566 -2.986 606 HH12 ARG 84 HH12 ARG 84 6.247 12.308 -4.545 607 HH21 ARG 84 HH21 ARG 84 4.111 9.812 -5.808 608 HH22 ARG 84 HH22 ARG 84 4.925 11.314 -6.154 609 H CYS 85 H CYS 85 8.018 5.969 1.682 610 HA CYS 85 HA CYS 85 9.483 7.536 3.660 611 HB2 CYS 85 HB2 CYS 85 8.104 4.827 3.886 612 HB3 CYS 85 HB3 CYS 85 8.796 5.732 5.229 613 H VAL 86 H VAL 86 9.859 4.520 1.885 614 HA VAL 86 HA VAL 86 12.146 3.546 3.248 615 HB VAL 86 HB VAL 86 11.181 2.833 0.441 616 HG11 VAL 86 HG11 VAL 86 12.389 0.697 0.779 617 HG12 VAL 86 HG12 VAL 86 12.981 1.274 2.337 618 HG13 VAL 86 HG13 VAL 86 13.491 2.073 0.847 619 HG21 VAL 86 HG21 VAL 86 10.475 1.502 3.093 620 HG22 VAL 86 HG22 VAL 86 9.977 0.942 1.493 621 HG23 VAL 86 HG23 VAL 86 9.386 2.486 2.111 622 H VAL 87 H VAL 87 11.754 5.436 0.261 623 HA VAL 87 HA VAL 87 14.694 5.698 -0.067 624 HB VAL 87 HB VAL 87 12.617 6.397 -2.203 625 HG11 VAL 87 HG11 VAL 87 15.543 5.588 -2.418 626 HG12 VAL 87 HG12 VAL 87 14.898 7.218 -2.619 627 HG13 VAL 87 HG13 VAL 87 14.482 5.957 -3.783 628 HG21 VAL 87 HG21 VAL 87 12.139 4.076 -1.583 629 HG22 VAL 87 HG22 VAL 87 13.843 3.647 -1.753 630 HG23 VAL 87 HG23 VAL 87 12.908 4.121 -3.174 631 H GLU 88 H GLU 88 12.406 7.327 1.512 632 HA GLU 88 HA GLU 88 11.786 9.401 2.055 633 HB2 GLU 88 HB2 GLU 88 14.598 10.094 1.133 634 HB3 GLU 88 HB3 GLU 88 13.546 11.194 2.010 635 HG2 GLU 88 HG2 GLU 88 14.996 10.318 3.639 636 HG3 GLU 88 HG3 GLU 88 13.479 9.465 3.879 637 H GLU 89 H GLU 89 11.672 11.833 1.241 638 HA GLU 89 HA GLU 89 10.545 11.857 -1.429 639 HB2 GLU 89 HB2 GLU 89 10.747 13.917 0.789 640 HB3 GLU 89 HB3 GLU 89 10.324 14.429 -0.842 641 HG2 GLU 89 HG2 GLU 89 8.785 12.388 0.797 642 HG3 GLU 89 HG3 GLU 89 8.347 14.084 0.601 643 H VAL 90 H VAL 90 12.176 11.502 -2.839 644 HA VAL 90 HA VAL 90 14.650 13.024 -2.781 645 HB VAL 90 HB VAL 90 13.678 11.131 -4.978 646 HG11 VAL 90 HG11 VAL 90 16.493 12.059 -4.273 647 HG12 VAL 90 HG12 VAL 90 15.549 12.582 -5.669 648 HG13 VAL 90 HG13 VAL 90 16.076 10.903 -5.542 649 HG21 VAL 90 HG21 VAL 90 15.371 10.421 -2.549 650 HG22 VAL 90 HG22 VAL 90 14.972 9.337 -3.887 651 HG23 VAL 90 HG23 VAL 90 13.696 9.929 -2.819 652 H SER 91 H SER 91 13.596 15.090 -2.856 653 HA SER 91 HA SER 91 11.833 15.998 -4.840 654 HB2 SER 91 HB2 SER 91 13.786 17.644 -3.169 655 HB3 SER 91 HB3 SER 91 12.324 18.243 -3.965 656 HG SER 91 HG SER 91 11.553 17.817 -2.024 657 H LYS 92 H LYS 92 12.142 17.135 -6.749 658 HA LYS 92 HA LYS 92 14.356 16.555 -8.376 659 HB2 LYS 92 HB2 LYS 92 12.271 18.755 -8.689 660 HB3 LYS 92 HB3 LYS 92 13.361 18.208 -9.966 661 HG2 LYS 92 HG2 LYS 92 12.340 15.976 -9.919 662 HG3 LYS 92 HG3 LYS 92 11.284 16.463 -8.589 663 HD2 LYS 92 HD2 LYS 92 11.264 17.675 -11.386 664 HD3 LYS 92 HD3 LYS 92 10.121 16.470 -10.787 665 HE2 LYS 92 HE2 LYS 92 9.388 18.090 -9.030 666 HE3 LYS 92 HE3 LYS 92 10.469 19.300 -9.731 667 HZ1 LYS 92 HZ1 LYS 92 8.211 19.583 -10.515 668 HZ2 LYS 92 HZ2 LYS 92 8.182 18.006 -11.118 669 HZ3 LYS 92 HZ3 LYS 92 9.221 19.150 -11.796 670 HA PRO 93 HA PRO 93 16.976 19.754 -6.423 671 HB2 PRO 93 HB2 PRO 93 19.404 18.804 -7.187 672 HB3 PRO 93 HB3 PRO 93 18.414 17.942 -5.988 673 HG2 PRO 93 HG2 PRO 93 18.796 17.326 -8.897 674 HG3 PRO 93 HG3 PRO 93 18.709 16.212 -7.515 675 HD2 PRO 93 HD2 PRO 93 16.575 16.774 -9.219 676 HD3 PRO 93 HD3 PRO 93 16.404 16.129 -7.573 677 H GLN 94 H GLN 94 15.826 21.153 -8.029 678 HA GLN 94 HA GLN 94 17.425 21.910 -10.402 679 HB2 GLN 94 HB2 GLN 94 14.510 22.530 -9.734 680 HB3 GLN 94 HB3 GLN 94 15.336 22.937 -11.236 681 HG2 GLN 94 HG2 GLN 94 15.604 20.533 -11.737 682 HG3 GLN 94 HG3 GLN 94 14.791 20.124 -10.229 683 HE21 GLN 94 HE21 GLN 94 14.374 21.330 -13.475 684 HE22 GLN 94 HE22 GLN 94 12.656 21.169 -13.523 Start of MODEL 14 1 H1 SER 1 H1 SER 1 12.144 32.040 -21.897 2 H2 SER 1 H2 SER 1 11.766 33.492 -22.673 3 H3 SER 1 H3 SER 1 11.375 32.018 -23.396 4 HA SER 1 HA SER 1 10.246 33.020 -20.858 5 HB2 SER 1 HB2 SER 1 8.964 32.876 -23.621 6 HB3 SER 1 HB3 SER 1 8.175 33.451 -22.144 7 HG SER 1 HG SER 1 8.998 35.320 -22.581 8 H HIS 2 H HIS 2 11.372 30.320 -22.077 9 HA HIS 2 HA HIS 2 9.144 28.519 -22.024 10 HB2 HIS 2 HB2 HIS 2 12.112 27.835 -21.824 11 HB3 HIS 2 HB3 HIS 2 10.806 26.741 -22.265 12 HD2 HIS 2 HD2 HIS 2 9.734 27.182 -24.886 13 HE1 HIS 2 HE1 HIS 2 13.073 29.481 -26.093 14 HE2 HIS 2 HE2 HIS 2 10.898 28.424 -26.833 15 H MET 3 H MET 3 8.172 28.951 -20.006 16 HA MET 3 HA MET 3 9.421 28.464 -17.465 17 HB2 MET 3 HB2 MET 3 6.472 28.404 -18.265 18 HB3 MET 3 HB3 MET 3 7.067 28.399 -16.608 19 HG2 MET 3 HG2 MET 3 7.986 30.642 -16.906 20 HG3 MET 3 HG3 MET 3 7.488 30.640 -18.599 21 HE1 MET 3 HE1 MET 3 6.173 30.553 -14.841 22 HE2 MET 3 HE2 MET 3 5.396 29.140 -15.561 23 HE3 MET 3 HE3 MET 3 4.433 30.547 -15.109 24 H SER 4 H SER 4 9.472 26.532 -16.261 25 HA SER 4 HA SER 4 9.415 24.039 -17.635 26 HB2 SER 4 HB2 SER 4 9.503 24.610 -14.638 27 HB3 SER 4 HB3 SER 4 9.850 23.049 -15.385 28 HG SER 4 HG SER 4 11.427 25.275 -15.152 29 H GLY 5 H GLY 5 7.409 23.738 -18.538 30 HA2 GLY 5 HA2 GLY 5 4.969 23.727 -16.881 31 HA3 GLY 5 HA3 GLY 5 5.054 23.760 -18.634 32 H GLY 6 H GLY 6 7.269 21.504 -17.575 33 HA2 GLY 6 HA2 GLY 6 5.662 19.252 -18.409 34 HA3 GLY 6 HA3 GLY 6 7.324 19.216 -17.831 35 H SER 7 H SER 7 3.970 19.561 -16.762 36 HA SER 7 HA SER 7 4.409 19.402 -13.963 37 HB2 SER 7 HB2 SER 7 1.874 19.062 -13.932 38 HB3 SER 7 HB3 SER 7 2.419 20.486 -14.817 39 HG SER 7 HG SER 7 1.175 19.646 -16.306 40 HA PRO 8 HA PRO 8 4.790 15.004 -13.103 41 HB2 PRO 8 HB2 PRO 8 2.728 15.376 -10.938 42 HB3 PRO 8 HB3 PRO 8 4.372 14.704 -10.831 43 HG2 PRO 8 HG2 PRO 8 3.888 17.135 -9.894 44 HG3 PRO 8 HG3 PRO 8 5.385 16.811 -10.801 45 HD2 PRO 8 HD2 PRO 8 2.862 18.164 -11.758 46 HD3 PRO 8 HD3 PRO 8 4.560 18.612 -12.048 47 H LEU 9 H LEU 9 3.911 13.934 -14.808 48 HA LEU 9 HA LEU 9 1.011 13.381 -14.803 49 HB2 LEU 9 HB2 LEU 9 1.487 12.770 -17.320 50 HB3 LEU 9 HB3 LEU 9 1.253 14.430 -16.827 51 HG LEU 9 HG LEU 9 3.859 14.608 -16.808 52 HD11 LEU 9 HD11 LEU 9 4.443 12.250 -16.958 53 HD12 LEU 9 HD12 LEU 9 5.074 13.130 -18.346 54 HD13 LEU 9 HD13 LEU 9 3.635 12.122 -18.526 55 HD21 LEU 9 HD21 LEU 9 3.923 15.169 -19.192 56 HD22 LEU 9 HD22 LEU 9 2.436 15.745 -18.441 57 HD23 LEU 9 HD23 LEU 9 2.409 14.295 -19.451 58 H ALA 10 H ALA 10 0.676 11.507 -13.829 59 HA ALA 10 HA ALA 10 2.329 9.171 -14.164 60 HB1 ALA 10 HB1 ALA 10 -0.525 9.425 -13.132 61 HB2 ALA 10 HB2 ALA 10 0.943 9.411 -12.151 62 HB3 ALA 10 HB3 ALA 10 0.473 7.968 -13.053 63 H THR 11 H THR 11 2.520 8.490 -16.231 64 HA THR 11 HA THR 11 0.402 8.569 -18.156 65 HB THR 11 HB THR 11 2.928 6.864 -18.373 66 HG1 THR 11 HG1 THR 11 2.634 9.633 -18.358 67 HG21 THR 11 HG21 THR 11 2.709 7.306 -20.789 68 HG22 THR 11 HG22 THR 11 1.281 8.303 -20.503 69 HG23 THR 11 HG23 THR 11 1.226 6.569 -20.176 70 H GLY 12 H GLY 12 -1.249 7.548 -16.924 71 HA2 GLY 12 HA2 GLY 12 -1.012 4.804 -16.008 72 HA3 GLY 12 HA3 GLY 12 -2.406 5.867 -15.848 73 H THR 13 H THR 13 -0.655 5.046 -18.806 74 HA THR 13 HA THR 13 -3.049 4.560 -20.247 75 HB THR 13 HB THR 13 -1.229 5.581 -21.447 76 HG1 THR 13 HG1 THR 13 -2.580 3.735 -22.414 77 HG21 THR 13 HG21 THR 13 0.708 4.677 -20.189 78 HG22 THR 13 HG22 THR 13 0.921 4.487 -21.932 79 HG23 THR 13 HG23 THR 13 0.455 3.101 -20.946 80 H THR 14 H THR 14 -4.170 2.853 -19.663 81 HA THR 14 HA THR 14 -3.016 0.160 -20.083 82 HB THR 14 HB THR 14 -4.729 -0.671 -18.365 83 HG1 THR 14 HG1 THR 14 -5.237 1.153 -16.791 84 HG21 THR 14 HG21 THR 14 -3.414 -0.074 -16.361 85 HG22 THR 14 HG22 THR 14 -2.598 1.205 -17.261 86 HG23 THR 14 HG23 THR 14 -2.349 -0.486 -17.708 87 H ALA 15 H ALA 15 -4.169 -1.042 -21.488 88 HA ALA 15 HA ALA 15 -6.604 0.088 -22.739 89 HB1 ALA 15 HB1 ALA 15 -6.101 -1.448 -24.603 90 HB2 ALA 15 HB2 ALA 15 -4.743 -2.128 -23.701 91 HB3 ALA 15 HB3 ALA 15 -4.697 -0.446 -24.231 92 H ASN 16 H ASN 16 -6.494 -1.319 -20.118 93 HA ASN 16 HA ASN 16 -7.717 -3.957 -20.543 94 HB2 ASN 16 HB2 ASN 16 -6.738 -2.601 -17.979 95 HB3 ASN 16 HB3 ASN 16 -7.189 -4.295 -18.153 96 HD21 ASN 16 HD21 ASN 16 -5.739 -5.721 -19.156 97 HD22 ASN 16 HD22 ASN 16 -4.099 -5.285 -19.480 98 H THR 17 H THR 17 -9.128 -1.320 -20.973 99 HA THR 17 HA THR 17 -10.833 -0.666 -18.825 100 HB THR 17 HB THR 17 -12.223 0.463 -20.720 101 HG1 THR 17 HG1 THR 17 -11.270 -0.992 -22.346 102 HG21 THR 17 HG21 THR 17 -10.585 1.718 -19.346 103 HG22 THR 17 HG22 THR 17 -10.599 2.271 -21.022 104 HG23 THR 17 HG23 THR 17 -9.297 1.226 -20.454 105 H ARG 18 H ARG 18 -11.801 -2.461 -18.004 106 HA ARG 18 HA ARG 18 -13.641 -4.107 -19.595 107 HB2 ARG 18 HB2 ARG 18 -12.698 -4.239 -16.701 108 HB3 ARG 18 HB3 ARG 18 -13.867 -5.360 -17.396 109 HG2 ARG 18 HG2 ARG 18 -12.244 -6.314 -18.866 110 HG3 ARG 18 HG3 ARG 18 -11.083 -5.019 -18.559 111 HD2 ARG 18 HD2 ARG 18 -10.613 -7.242 -17.401 112 HD3 ARG 18 HD3 ARG 18 -10.618 -5.808 -16.370 113 HE ARG 18 HE ARG 18 -13.073 -7.431 -16.563 114 HH11 ARG 18 HH11 ARG 18 -10.329 -6.387 -14.629 115 HH12 ARG 18 HH12 ARG 18 -11.014 -6.937 -13.134 116 HH21 ARG 18 HH21 ARG 18 -13.995 -8.085 -14.585 117 HH22 ARG 18 HH22 ARG 18 -13.102 -7.897 -13.108 118 H GLY 19 H GLY 19 -13.622 -1.913 -16.785 119 HA2 GLY 19 HA2 GLY 19 -16.420 -1.866 -16.305 120 HA3 GLY 19 HA3 GLY 19 -15.251 -0.680 -15.747 121 H ALA 20 H ALA 20 -14.601 -0.460 -18.827 122 HA ALA 20 HA ALA 20 -16.338 1.811 -19.344 123 HB1 ALA 20 HB1 ALA 20 -14.872 2.206 -21.276 124 HB2 ALA 20 HB2 ALA 20 -14.068 0.657 -21.007 125 HB3 ALA 20 HB3 ALA 20 -13.916 1.946 -19.811 126 H SER 21 H SER 21 -17.187 -1.249 -19.565 127 HA SER 21 HA SER 21 -18.239 -1.598 -22.162 128 HB2 SER 21 HB2 SER 21 -19.392 -2.548 -19.503 129 HB3 SER 21 HB3 SER 21 -19.838 -3.179 -21.092 130 HG SER 21 HG SER 21 -17.129 -3.189 -20.524 131 H GLN 22 H GLN 22 -19.348 -0.011 -23.123 132 HA GLN 22 HA GLN 22 -20.580 2.140 -21.727 133 HB2 GLN 22 HB2 GLN 22 -21.119 2.969 -24.107 134 HB3 GLN 22 HB3 GLN 22 -19.431 2.768 -23.673 135 HG2 GLN 22 HG2 GLN 22 -19.762 2.006 -25.938 136 HG3 GLN 22 HG3 GLN 22 -19.364 0.628 -24.924 137 HE21 GLN 22 HE21 GLN 22 -20.922 -0.982 -24.602 138 HE22 GLN 22 HE22 GLN 22 -22.363 -1.082 -25.551 139 H LYS 23 H LYS 23 -21.941 -0.798 -22.157 140 HA LYS 23 HA LYS 23 -24.612 -0.178 -22.910 141 HB2 LYS 23 HB2 LYS 23 -23.602 -2.429 -21.110 142 HB3 LYS 23 HB3 LYS 23 -25.199 -2.345 -21.856 143 HG2 LYS 23 HG2 LYS 23 -24.099 -2.402 -24.107 144 HG3 LYS 23 HG3 LYS 23 -22.541 -2.625 -23.299 145 HD2 LYS 23 HD2 LYS 23 -23.418 -4.738 -22.277 146 HD3 LYS 23 HD3 LYS 23 -24.930 -4.517 -23.162 147 HE2 LYS 23 HE2 LYS 23 -23.664 -4.646 -25.298 148 HE3 LYS 23 HE3 LYS 23 -22.181 -4.929 -24.382 149 HZ1 LYS 23 HZ1 LYS 23 -23.189 -6.950 -23.490 150 HZ2 LYS 23 HZ2 LYS 23 -23.096 -6.990 -25.177 151 HZ3 LYS 23 HZ3 LYS 23 -24.576 -6.683 -24.420 152 H LYS 24 H LYS 24 -22.976 -0.476 -19.774 153 HA LYS 24 HA LYS 24 -24.455 1.673 -18.607 154 HB2 LYS 24 HB2 LYS 24 -25.391 0.328 -16.665 155 HB3 LYS 24 HB3 LYS 24 -26.205 0.084 -18.204 156 HG2 LYS 24 HG2 LYS 24 -25.029 -2.064 -18.502 157 HG3 LYS 24 HG3 LYS 24 -24.174 -1.811 -16.984 158 HD2 LYS 24 HD2 LYS 24 -25.928 -3.351 -16.513 159 HD3 LYS 24 HD3 LYS 24 -26.428 -1.813 -15.816 160 HE2 LYS 24 HE2 LYS 24 -27.397 -2.873 -18.497 161 HE3 LYS 24 HE3 LYS 24 -28.261 -3.078 -16.977 162 HZ1 LYS 24 HZ1 LYS 24 -29.181 -1.249 -18.171 163 HZ2 LYS 24 HZ2 LYS 24 -27.678 -0.504 -18.339 164 HZ3 LYS 24 HZ3 LYS 24 -28.388 -0.640 -16.811 165 H GLY 25 H GLY 25 -22.524 2.604 -18.160 166 HA2 GLY 25 HA2 GLY 25 -20.665 1.251 -16.265 167 HA3 GLY 25 HA3 GLY 25 -20.222 2.541 -17.379 168 H GLY 26 H GLY 26 -19.556 2.823 -14.790 169 HA2 GLY 26 HA2 GLY 26 -19.481 4.765 -13.460 170 HA3 GLY 26 HA3 GLY 26 -21.106 5.189 -13.980 171 H GLU 27 H GLU 27 -19.234 2.971 -11.962 172 HA GLU 27 HA GLU 27 -21.266 1.677 -10.564 173 HB2 GLU 27 HB2 GLU 27 -19.497 1.360 -8.763 174 HB3 GLU 27 HB3 GLU 27 -19.044 0.849 -10.386 175 HG2 GLU 27 HG2 GLU 27 -17.845 3.057 -10.654 176 HG3 GLU 27 HG3 GLU 27 -18.153 3.362 -8.944 177 HA PRO 28 HA PRO 28 -22.734 5.380 -8.393 178 HB2 PRO 28 HB2 PRO 28 -25.232 4.507 -7.764 179 HB3 PRO 28 HB3 PRO 28 -24.772 4.894 -9.432 180 HG2 PRO 28 HG2 PRO 28 -25.132 2.221 -8.155 181 HG3 PRO 28 HG3 PRO 28 -25.426 2.724 -9.831 182 HD2 PRO 28 HD2 PRO 28 -23.120 1.362 -8.871 183 HD3 PRO 28 HD3 PRO 28 -23.313 2.102 -10.474 184 HA PRO 29 HA PRO 29 -22.645 4.136 -3.935 185 HB2 PRO 29 HB2 PRO 29 -22.535 6.612 -2.848 186 HB3 PRO 29 HB3 PRO 29 -21.119 5.945 -3.693 187 HG2 PRO 29 HG2 PRO 29 -23.129 7.946 -4.685 188 HG3 PRO 29 HG3 PRO 29 -21.363 7.930 -4.889 189 HD2 PRO 29 HD2 PRO 29 -23.177 7.026 -6.813 190 HD3 PRO 29 HD3 PRO 29 -21.464 6.555 -6.738 191 H ALA 30 H ALA 30 -24.126 5.679 -2.077 192 HA ALA 30 HA ALA 30 -26.883 5.752 -3.193 193 HB1 ALA 30 HB1 ALA 30 -27.676 5.401 -0.903 194 HB2 ALA 30 HB2 ALA 30 -26.013 5.409 -0.304 195 HB3 ALA 30 HB3 ALA 30 -26.558 4.118 -1.376 196 H LEU 31 H LEU 31 -24.328 7.637 -1.981 197 HA LEU 31 HA LEU 31 -23.943 9.796 -1.624 198 HB2 LEU 31 HB2 LEU 31 -26.830 10.317 -2.391 199 HB3 LEU 31 HB3 LEU 31 -25.629 11.573 -2.116 200 HG LEU 31 HG LEU 31 -25.471 9.471 -4.319 201 HD11 LEU 31 HD11 LEU 31 -26.193 12.411 -4.538 202 HD12 LEU 31 HD12 LEU 31 -27.291 11.045 -4.747 203 HD13 LEU 31 HD13 LEU 31 -25.971 11.288 -5.886 204 HD21 LEU 31 HD21 LEU 31 -23.244 10.176 -3.595 205 HD22 LEU 31 HD22 LEU 31 -23.685 11.876 -3.794 206 HD23 LEU 31 HD23 LEU 31 -23.604 10.808 -5.197 207 H ILE 32 H ILE 32 -26.799 8.527 -0.064 208 HA ILE 32 HA ILE 32 -26.988 10.394 2.068 209 HB ILE 32 HB ILE 32 -28.048 7.525 1.953 210 HG12 ILE 32 HG12 ILE 32 -29.421 10.118 1.104 211 HG13 ILE 32 HG13 ILE 32 -28.835 8.872 0.005 212 HG21 ILE 32 HG21 ILE 32 -28.060 8.467 4.238 213 HG22 ILE 32 HG22 ILE 32 -29.706 8.287 3.629 214 HG23 ILE 32 HG23 ILE 32 -28.949 9.881 3.661 215 HD11 ILE 32 HD11 ILE 32 -31.076 8.577 2.009 216 HD12 ILE 32 HD12 ILE 32 -30.466 7.297 0.955 217 HD13 ILE 32 HD13 ILE 32 -31.222 8.726 0.257 218 H VAL 33 H VAL 33 -25.301 10.642 3.389 219 HA VAL 33 HA VAL 33 -23.562 10.370 4.757 220 HB VAL 33 HB VAL 33 -24.735 7.668 5.542 221 HG11 VAL 33 HG11 VAL 33 -22.489 8.072 6.474 222 HG12 VAL 33 HG12 VAL 33 -23.701 8.103 7.754 223 HG13 VAL 33 HG13 VAL 33 -23.027 9.617 7.144 224 HG21 VAL 33 HG21 VAL 33 -25.483 10.414 6.631 225 HG22 VAL 33 HG22 VAL 33 -26.045 8.870 7.280 226 HG23 VAL 33 HG23 VAL 33 -26.517 9.367 5.653 227 H ASP 34 H ASP 34 -23.080 9.814 2.139 228 HA ASP 34 HA ASP 34 -20.879 7.847 2.313 229 HB2 ASP 34 HB2 ASP 34 -22.297 9.058 -0.081 230 HB3 ASP 34 HB3 ASP 34 -20.657 8.437 -0.251 231 HA PRO 35 HA PRO 35 -18.507 11.679 3.172 232 HB2 PRO 35 HB2 PRO 35 -16.310 9.706 3.696 233 HB3 PRO 35 HB3 PRO 35 -16.992 10.938 4.780 234 HG2 PRO 35 HG2 PRO 35 -17.474 8.329 5.191 235 HG3 PRO 35 HG3 PRO 35 -18.719 9.563 5.495 236 HD2 PRO 35 HD2 PRO 35 -18.419 7.749 3.104 237 HD3 PRO 35 HD3 PRO 35 -19.879 8.148 4.043 238 H LEU 36 H LEU 36 -17.975 9.110 0.938 239 HA LEU 36 HA LEU 36 -16.978 8.852 -1.046 240 HB2 LEU 36 HB2 LEU 36 -16.493 11.851 -0.973 241 HB3 LEU 36 HB3 LEU 36 -16.299 10.831 -2.394 242 HG LEU 36 HG LEU 36 -18.948 11.303 -0.947 243 HD11 LEU 36 HD11 LEU 36 -17.966 12.503 -3.552 244 HD12 LEU 36 HD12 LEU 36 -18.180 13.357 -2.021 245 HD13 LEU 36 HD13 LEU 36 -19.581 12.696 -2.859 246 HD21 LEU 36 HD21 LEU 36 -18.386 9.882 -3.577 247 HD22 LEU 36 HD22 LEU 36 -19.979 10.213 -2.891 248 HD23 LEU 36 HD23 LEU 36 -18.881 9.119 -2.058 249 H MET 37 H MET 37 -14.882 11.451 0.303 250 HA MET 37 HA MET 37 -12.533 9.782 0.219 251 HB2 MET 37 HB2 MET 37 -12.348 12.250 -0.079 252 HB3 MET 37 HB3 MET 37 -12.909 12.488 1.574 253 HG2 MET 37 HG2 MET 37 -10.923 11.253 2.403 254 HG3 MET 37 HG3 MET 37 -10.355 11.085 0.739 255 HE1 MET 37 HE1 MET 37 -8.017 12.149 1.365 256 HE2 MET 37 HE2 MET 37 -8.556 12.260 3.044 257 HE3 MET 37 HE3 MET 37 -7.854 13.665 2.248 258 H LYS 38 H LYS 38 -13.520 8.045 1.392 259 HA LYS 38 HA LYS 38 -13.684 8.164 4.297 260 HB2 LYS 38 HB2 LYS 38 -13.546 5.742 2.436 261 HB3 LYS 38 HB3 LYS 38 -14.073 5.743 4.122 262 HG2 LYS 38 HG2 LYS 38 -16.037 7.117 3.520 263 HG3 LYS 38 HG3 LYS 38 -15.495 7.167 1.838 264 HD2 LYS 38 HD2 LYS 38 -17.264 5.503 2.078 265 HD3 LYS 38 HD3 LYS 38 -15.743 4.690 1.701 266 HE2 LYS 38 HE2 LYS 38 -15.480 4.132 4.116 267 HE3 LYS 38 HE3 LYS 38 -17.023 4.922 4.447 268 HZ1 LYS 38 HZ1 LYS 38 -17.248 2.529 4.259 269 HZ2 LYS 38 HZ2 LYS 38 -16.642 2.576 2.685 270 HZ3 LYS 38 HZ3 LYS 38 -18.119 3.312 3.038 271 H TYR 39 H TYR 39 -11.694 6.477 1.906 272 HA TYR 39 HA TYR 39 -9.236 7.575 3.050 273 HB2 TYR 39 HB2 TYR 39 -9.750 4.657 2.380 274 HB3 TYR 39 HB3 TYR 39 -8.125 5.318 2.361 275 HD1 TYR 39 HD2 TYR 39 -7.085 6.135 4.495 276 HD2 TYR 39 HD1 TYR 39 -10.838 4.082 4.486 277 HE1 TYR 39 HE2 TYR 39 -6.827 5.690 6.893 278 HE2 TYR 39 HE1 TYR 39 -10.587 3.631 6.896 279 HH TYR 39 HH TYR 39 -8.260 5.174 8.837 280 H ILE 40 H ILE 40 -10.417 5.518 0.422 281 HA ILE 40 HA ILE 40 -10.162 5.420 -1.807 282 HB ILE 40 HB ILE 40 -9.380 8.374 -1.727 283 HG12 ILE 40 HG12 ILE 40 -12.126 7.136 -2.288 284 HG13 ILE 40 HG13 ILE 40 -11.675 7.981 -0.809 285 HG21 ILE 40 HG21 ILE 40 -10.288 6.683 -4.087 286 HG22 ILE 40 HG22 ILE 40 -8.651 7.287 -3.814 287 HG23 ILE 40 HG23 ILE 40 -9.965 8.421 -4.130 288 HD11 ILE 40 HD11 ILE 40 -11.823 9.217 -3.567 289 HD12 ILE 40 HD12 ILE 40 -11.373 10.054 -2.078 290 HD13 ILE 40 HD13 ILE 40 -12.998 9.399 -2.264 291 H CYS 41 H CYS 41 -8.558 4.236 -2.608 292 HA CYS 41 HA CYS 41 -5.795 4.622 -1.871 293 HB2 CYS 41 HB2 CYS 41 -6.638 2.351 -1.990 294 HB3 CYS 41 HB3 CYS 41 -7.244 2.604 -3.606 295 H HIS 42 H HIS 42 -4.712 6.129 -2.882 296 HA HIS 42 HA HIS 42 -5.742 7.754 -4.875 297 HB2 HIS 42 HB2 HIS 42 -2.949 7.470 -3.758 298 HB3 HIS 42 HB3 HIS 42 -3.268 8.605 -5.066 299 HD1 HIS 42 HD1 HIS 42 -3.139 10.787 -3.900 300 HD2 HIS 42 HD2 HIS 42 -5.601 8.130 -1.866 301 HE1 HIS 42 HE1 HIS 42 -4.241 12.133 -2.097 302 HE2 HIS 42 HE2 HIS 42 -5.676 10.499 -0.853 303 H ILE 43 H ILE 43 -3.202 5.277 -5.381 304 HA ILE 43 HA ILE 43 -2.838 5.667 -8.122 305 HB ILE 43 HB ILE 43 -2.427 3.135 -6.475 306 HG12 ILE 43 HG12 ILE 43 -0.478 5.234 -7.537 307 HG13 ILE 43 HG13 ILE 43 -0.971 5.035 -5.862 308 HG21 ILE 43 HG21 ILE 43 -1.556 3.615 -9.355 309 HG22 ILE 43 HG22 ILE 43 -2.751 2.435 -8.814 310 HG23 ILE 43 HG23 ILE 43 -1.059 2.247 -8.356 311 HD11 ILE 43 HD11 ILE 43 1.248 4.161 -6.219 312 HD12 ILE 43 HD12 ILE 43 0.661 3.076 -7.477 313 HD13 ILE 43 HD13 ILE 43 0.145 2.849 -5.803 314 H CYS 44 H CYS 44 -5.330 3.622 -6.490 315 HA CYS 44 HA CYS 44 -6.032 2.512 -9.171 316 HB2 CYS 44 HB2 CYS 44 -7.099 0.667 -7.954 317 HB3 CYS 44 HB3 CYS 44 -5.416 0.849 -7.451 318 H ASN 45 H ASN 45 -7.106 4.761 -6.928 319 HA ASN 45 HA ASN 45 -8.962 5.990 -6.584 320 HB2 ASN 45 HB2 ASN 45 -9.018 6.159 -9.071 321 HB3 ASN 45 HB3 ASN 45 -10.005 4.705 -9.143 322 HD21 ASN 45 HD21 ASN 45 -11.622 5.826 -10.269 323 HD22 ASN 45 HD22 ASN 45 -12.672 6.964 -9.496 324 H ARG 46 H ARG 46 -8.989 2.658 -6.263 325 HA ARG 46 HA ARG 46 -11.765 2.191 -5.643 326 HB2 ARG 46 HB2 ARG 46 -9.482 0.449 -4.662 327 HB3 ARG 46 HB3 ARG 46 -11.126 -0.020 -5.042 328 HG2 ARG 46 HG2 ARG 46 -8.987 0.744 -7.035 329 HG3 ARG 46 HG3 ARG 46 -9.504 -0.897 -6.649 330 HD2 ARG 46 HD2 ARG 46 -11.747 -0.382 -7.581 331 HD3 ARG 46 HD3 ARG 46 -11.191 1.255 -7.975 332 HE ARG 46 HE ARG 46 -10.008 -1.217 -9.109 333 HH11 ARG 46 HH11 ARG 46 -11.014 2.117 -9.562 334 HH12 ARG 46 HH12 ARG 46 -10.481 2.170 -11.208 335 HH21 ARG 46 HH21 ARG 46 -9.244 -1.099 -11.231 336 HH22 ARG 46 HH22 ARG 46 -9.480 0.353 -12.151 337 H GLY 47 H GLY 47 -12.766 2.813 -3.755 338 HA2 GLY 47 HA2 GLY 47 -11.107 3.285 -1.302 339 HA3 GLY 47 HA3 GLY 47 -12.516 4.237 -1.744 340 H ASP 48 H ASP 48 -13.027 0.952 -2.401 341 HA ASP 48 HA ASP 48 -14.904 0.760 -0.163 342 HB2 ASP 48 HB2 ASP 48 -15.703 0.374 -2.509 343 HB3 ASP 48 HB3 ASP 48 -14.651 -1.025 -2.621 344 H VAL 49 H VAL 49 -12.268 -1.164 -1.654 345 HA VAL 49 HA VAL 49 -12.381 -3.261 0.315 346 HB VAL 49 HB VAL 49 -10.222 -2.705 -1.777 347 HG11 VAL 49 HG11 VAL 49 -9.316 -4.093 0.043 348 HG12 VAL 49 HG12 VAL 49 -9.531 -5.073 -1.409 349 HG13 VAL 49 HG13 VAL 49 -10.690 -5.197 -0.082 350 HG21 VAL 49 HG21 VAL 49 -12.539 -4.678 -1.854 351 HG22 VAL 49 HG22 VAL 49 -11.302 -4.483 -3.100 352 HG23 VAL 49 HG23 VAL 49 -12.441 -3.175 -2.773 353 H GLU 50 H GLU 50 -12.188 -2.086 2.259 354 HA GLU 50 HA GLU 50 -9.804 -0.624 2.944 355 HB2 GLU 50 HB2 GLU 50 -10.749 -0.570 5.233 356 HB3 GLU 50 HB3 GLU 50 -11.899 -0.029 4.015 357 HG2 GLU 50 HG2 GLU 50 -13.025 -2.235 4.099 358 HG3 GLU 50 HG3 GLU 50 -11.883 -2.763 5.337 359 H GLU 51 H GLU 51 -10.770 -3.941 3.000 360 HA GLU 51 HA GLU 51 -9.230 -5.001 5.071 361 HB2 GLU 51 HB2 GLU 51 -10.198 -6.276 2.479 362 HB3 GLU 51 HB3 GLU 51 -9.566 -7.188 3.851 363 HG2 GLU 51 HG2 GLU 51 -11.399 -6.492 5.264 364 HG3 GLU 51 HG3 GLU 51 -11.961 -5.332 4.064 365 H SER 52 H SER 52 -8.239 -4.424 1.661 366 HA SER 52 HA SER 52 -5.484 -5.327 2.327 367 HB2 SER 52 HB2 SER 52 -5.078 -5.360 -0.113 368 HB3 SER 52 HB3 SER 52 -6.475 -6.354 0.299 369 HG SER 52 HG SER 52 -7.188 -5.182 -1.361 370 H MET 53 H MET 53 -7.069 -2.617 2.753 371 HA MET 53 HA MET 53 -5.438 -0.700 1.293 372 HB2 MET 53 HB2 MET 53 -7.877 -0.369 1.540 373 HB3 MET 53 HB3 MET 53 -7.700 -0.282 3.286 374 HG2 MET 53 HG2 MET 53 -6.411 1.781 3.067 375 HG3 MET 53 HG3 MET 53 -6.510 1.672 1.306 376 HE1 MET 53 HE1 MET 53 -9.525 0.691 0.812 377 HE2 MET 53 HE2 MET 53 -8.808 2.035 -0.083 378 HE3 MET 53 HE3 MET 53 -10.371 2.234 0.704 379 H LEU 54 H LEU 54 -3.497 -0.428 2.054 380 HA LEU 54 HA LEU 54 -2.732 -0.541 4.859 381 HB2 LEU 54 HB2 LEU 54 -1.056 0.099 2.389 382 HB3 LEU 54 HB3 LEU 54 -0.440 -0.325 3.983 383 HG LEU 54 HG LEU 54 -2.073 -2.223 2.246 384 HD11 LEU 54 HD11 LEU 54 0.940 -2.091 2.555 385 HD12 LEU 54 HD12 LEU 54 0.012 -1.688 1.107 386 HD13 LEU 54 HD13 LEU 54 0.035 -3.346 1.697 387 HD21 LEU 54 HD21 LEU 54 -0.433 -2.724 4.754 388 HD22 LEU 54 HD22 LEU 54 -1.233 -3.962 3.782 389 HD23 LEU 54 HD23 LEU 54 -2.195 -2.752 4.625 390 H LEU 55 H LEU 55 -1.620 1.198 5.885 391 HA LEU 55 HA LEU 55 -2.078 3.914 4.799 392 HB2 LEU 55 HB2 LEU 55 -3.279 2.909 7.079 393 HB3 LEU 55 HB3 LEU 55 -1.817 3.568 7.778 394 HG LEU 55 HG LEU 55 -3.742 5.136 7.912 395 HD11 LEU 55 HD11 LEU 55 -1.557 6.211 6.109 396 HD12 LEU 55 HD12 LEU 55 -1.506 6.118 7.874 397 HD13 LEU 55 HD13 LEU 55 -2.685 7.166 7.082 398 HD21 LEU 55 HD21 LEU 55 -4.914 4.448 5.863 399 HD22 LEU 55 HD22 LEU 55 -3.659 5.208 4.880 400 HD23 LEU 55 HD23 LEU 55 -4.683 6.193 5.927 401 H CYS 56 H CYS 56 -0.246 5.238 4.775 402 HA CYS 56 HA CYS 56 2.318 4.029 5.124 403 HB2 CYS 56 HB2 CYS 56 1.986 5.755 3.420 404 HB3 CYS 56 HB3 CYS 56 1.622 6.951 4.657 405 H ASP 57 H ASP 57 3.484 3.872 6.922 406 HA ASP 57 HA ASP 57 2.748 4.724 9.465 407 HB2 ASP 57 HB2 ASP 57 4.270 2.815 8.930 408 HB3 ASP 57 HB3 ASP 57 5.508 3.943 8.413 409 H GLY 58 H GLY 58 4.943 6.146 7.088 410 HA2 GLY 58 HA2 GLY 58 5.817 8.284 8.928 411 HA3 GLY 58 HA3 GLY 58 6.564 7.839 7.405 412 H CYS 59 H CYS 59 3.126 8.217 7.437 413 HA CYS 59 HA CYS 59 2.785 10.953 7.194 414 HB2 CYS 59 HB2 CYS 59 2.349 11.200 4.678 415 HB3 CYS 59 HB3 CYS 59 4.037 11.032 5.137 416 H ASP 60 H ASP 60 0.634 11.003 5.248 417 HA ASP 60 HA ASP 60 -1.291 9.024 6.296 418 HB2 ASP 60 HB2 ASP 60 -1.822 11.074 7.467 419 HB3 ASP 60 HB3 ASP 60 -1.600 12.043 6.013 420 H ASP 61 H ASP 61 -1.375 7.769 4.492 421 HA ASP 61 HA ASP 61 -3.171 8.661 2.480 422 HB2 ASP 61 HB2 ASP 61 -0.679 9.319 1.646 423 HB3 ASP 61 HB3 ASP 61 -0.622 7.624 1.182 424 H SER 62 H SER 62 -3.956 6.908 1.196 425 HA SER 62 HA SER 62 -3.539 4.255 2.422 426 HB2 SER 62 HB2 SER 62 -5.943 3.872 1.596 427 HB3 SER 62 HB3 SER 62 -5.745 5.020 2.920 428 HG SER 62 HG SER 62 -5.752 5.936 0.252 429 H TYR 63 H TYR 63 -2.715 2.718 1.177 430 HA TYR 63 HA TYR 63 -3.192 2.648 -1.742 431 HB2 TYR 63 HB2 TYR 63 -0.498 2.256 -0.344 432 HB3 TYR 63 HB3 TYR 63 -0.799 1.819 -2.022 433 HD1 TYR 63 HD2 TYR 63 -1.225 3.597 -3.719 434 HD2 TYR 63 HD1 TYR 63 -0.111 4.598 0.282 435 HE1 TYR 63 HE2 TYR 63 -0.684 5.888 -4.431 436 HE2 TYR 63 HE1 TYR 63 0.432 6.887 -0.431 437 HH TYR 63 HH TYR 63 1.054 8.070 -2.516 438 H HIS 64 H HIS 64 -3.613 0.596 -2.502 439 HA HIS 64 HA HIS 64 -3.964 -1.556 -0.539 440 HB2 HIS 64 HB2 HIS 64 -4.535 -1.528 -3.527 441 HB3 HIS 64 HB3 HIS 64 -4.920 -2.849 -2.461 442 HD2 HIS 64 HD2 HIS 64 -6.695 -1.800 -0.260 443 HE1 HIS 64 HE1 HIS 64 -8.761 0.406 -3.164 444 HE2 HIS 64 HE2 HIS 64 -8.873 -0.550 -0.855 445 H THR 65 H THR 65 -3.214 -3.740 -1.110 446 HA THR 65 HA THR 65 -0.475 -4.064 -1.567 447 HB THR 65 HB THR 65 -1.104 -6.521 -1.830 448 HG1 THR 65 HG1 THR 65 -3.128 -7.027 -2.224 449 HG21 THR 65 HG21 THR 65 -2.446 -5.085 0.500 450 HG22 THR 65 HG22 THR 65 -0.747 -5.567 0.436 451 HG23 THR 65 HG23 THR 65 -2.014 -6.797 0.454 452 H PHE 66 H PHE 66 -3.229 -4.714 -3.759 453 HA PHE 66 HA PHE 66 -1.640 -5.503 -5.988 454 HB2 PHE 66 HB2 PHE 66 -3.843 -5.500 -7.230 455 HB3 PHE 66 HB3 PHE 66 -3.823 -6.475 -5.768 456 HD1 PHE 66 HD2 PHE 66 -5.124 -3.320 -7.260 457 HD2 PHE 66 HD1 PHE 66 -5.310 -5.978 -3.908 458 HE1 PHE 66 HE2 PHE 66 -7.166 -2.199 -6.476 459 HE2 PHE 66 HE1 PHE 66 -7.358 -4.843 -3.140 460 HZ PHE 66 HZ PHE 66 -8.287 -2.960 -4.425 461 H CYS 67 H CYS 67 -2.854 -2.388 -4.941 462 HA CYS 67 HA CYS 67 -2.665 -0.992 -7.404 463 HB2 CYS 67 HB2 CYS 67 -2.440 0.087 -4.567 464 HB3 CYS 67 HB3 CYS 67 -2.801 1.048 -6.018 465 H LEU 68 H LEU 68 -0.283 -2.113 -5.218 466 HA LEU 68 HA LEU 68 1.851 -0.411 -6.364 467 HB2 LEU 68 HB2 LEU 68 1.826 -2.206 -3.900 468 HB3 LEU 68 HB3 LEU 68 3.157 -1.164 -4.391 469 HG LEU 68 HG LEU 68 0.401 -0.071 -3.660 470 HD11 LEU 68 HD11 LEU 68 2.794 -0.384 -1.826 471 HD12 LEU 68 HD12 LEU 68 1.268 -1.270 -1.728 472 HD13 LEU 68 HD13 LEU 68 1.291 0.468 -1.450 473 HD21 LEU 68 HD21 LEU 68 1.596 2.065 -3.373 474 HD22 LEU 68 HD22 LEU 68 1.750 1.447 -5.014 475 HD23 LEU 68 HD23 LEU 68 3.105 1.301 -3.892 476 H LEU 69 H LEU 69 3.861 -1.531 -6.935 477 HA LEU 69 HA LEU 69 3.560 -4.404 -7.507 478 HB2 LEU 69 HB2 LEU 69 4.892 -4.227 -9.534 479 HB3 LEU 69 HB3 LEU 69 3.424 -3.279 -9.648 480 HG LEU 69 HG LEU 69 6.162 -2.057 -9.097 481 HD11 LEU 69 HD11 LEU 69 6.170 -3.141 -11.293 482 HD12 LEU 69 HD12 LEU 69 6.202 -1.388 -11.454 483 HD13 LEU 69 HD13 LEU 69 4.701 -2.271 -11.749 484 HD21 LEU 69 HD21 LEU 69 3.539 -0.772 -9.934 485 HD22 LEU 69 HD22 LEU 69 5.086 0.061 -9.748 486 HD23 LEU 69 HD23 LEU 69 4.301 -0.658 -8.345 487 HA PRO 70 HA PRO 70 4.724 -6.259 -7.658 488 HB2 PRO 70 HB2 PRO 70 5.415 -8.201 -5.893 489 HB3 PRO 70 HB3 PRO 70 6.580 -7.570 -7.079 490 HG2 PRO 70 HG2 PRO 70 6.315 -6.879 -4.166 491 HG3 PRO 70 HG3 PRO 70 7.783 -7.195 -5.115 492 HD2 PRO 70 HD2 PRO 70 6.865 -4.656 -4.538 493 HD3 PRO 70 HD3 PRO 70 7.874 -5.040 -5.948 494 HA PRO 71 HA PRO 71 0.872 -5.851 -5.272 495 HB2 PRO 71 HB2 PRO 71 -0.348 -8.211 -6.227 496 HB3 PRO 71 HB3 PRO 71 -0.410 -6.629 -7.026 497 HG2 PRO 71 HG2 PRO 71 1.409 -8.946 -7.586 498 HG3 PRO 71 HG3 PRO 71 0.606 -7.845 -8.730 499 HD2 PRO 71 HD2 PRO 71 3.200 -7.555 -8.162 500 HD3 PRO 71 HD3 PRO 71 2.167 -6.121 -8.376 501 H LEU 72 H LEU 72 1.340 -6.147 -3.190 502 HA LEU 72 HA LEU 72 2.912 -8.141 -2.062 503 HB2 LEU 72 HB2 LEU 72 0.889 -6.392 -0.608 504 HB3 LEU 72 HB3 LEU 72 2.331 -7.119 0.085 505 HG LEU 72 HG LEU 72 2.373 -4.957 -2.070 506 HD11 LEU 72 HD11 LEU 72 2.809 -4.602 0.907 507 HD12 LEU 72 HD12 LEU 72 1.422 -4.029 -0.024 508 HD13 LEU 72 HD13 LEU 72 3.022 -3.367 -0.339 509 HD21 LEU 72 HD21 LEU 72 4.622 -6.079 -0.372 510 HD22 LEU 72 HD22 LEU 72 4.754 -4.712 -1.483 511 HD23 LEU 72 HD23 LEU 72 4.388 -6.319 -2.108 512 H THR 73 H THR 73 2.433 -10.238 -1.778 513 HA THR 73 HA THR 73 -0.119 -11.405 -2.123 514 HB THR 73 HB THR 73 2.312 -12.731 -0.836 515 HG1 THR 73 HG1 THR 73 1.745 -12.321 -3.598 516 HG21 THR 73 HG21 THR 73 0.260 -14.146 -0.834 517 HG22 THR 73 HG22 THR 73 1.488 -14.795 -1.923 518 HG23 THR 73 HG23 THR 73 0.108 -13.915 -2.583 519 H SER 74 H SER 74 1.394 -10.079 0.629 520 HA SER 74 HA SER 74 -0.889 -10.594 2.341 521 HB2 SER 74 HB2 SER 74 1.928 -11.471 3.144 522 HB3 SER 74 HB3 SER 74 0.575 -11.334 4.274 523 HG SER 74 HG SER 74 -0.358 -12.785 2.338 524 H ILE 75 H ILE 75 -0.548 -9.335 4.465 525 HA ILE 75 HA ILE 75 0.009 -6.615 3.986 526 HB ILE 75 HB ILE 75 -0.220 -8.103 6.640 527 HG12 ILE 75 HG12 ILE 75 -2.251 -8.367 5.268 528 HG13 ILE 75 HG13 ILE 75 -2.591 -7.337 6.650 529 HG21 ILE 75 HG21 ILE 75 -0.765 -5.916 7.667 530 HG22 ILE 75 HG22 ILE 75 -0.432 -5.112 6.130 531 HG23 ILE 75 HG23 ILE 75 0.868 -5.933 6.998 532 HD11 ILE 75 HD11 ILE 75 -2.153 -6.423 3.808 533 HD12 ILE 75 HD12 ILE 75 -2.461 -5.364 5.187 534 HD13 ILE 75 HD13 ILE 75 -3.689 -6.517 4.667 535 HA PRO 76 HA PRO 76 4.528 -6.854 4.434 536 HB2 PRO 76 HB2 PRO 76 5.106 -4.182 4.238 537 HB3 PRO 76 HB3 PRO 76 4.603 -5.150 2.834 538 HG2 PRO 76 HG2 PRO 76 2.935 -3.322 4.547 539 HG3 PRO 76 HG3 PRO 76 2.990 -3.455 2.772 540 HD2 PRO 76 HD2 PRO 76 1.046 -4.648 4.246 541 HD3 PRO 76 HD3 PRO 76 1.648 -5.360 2.734 542 H LYS 77 H LYS 77 4.274 -7.652 6.569 543 HA LYS 77 HA LYS 77 4.690 -7.829 8.747 544 HB2 LYS 77 HB2 LYS 77 6.690 -6.425 8.232 545 HB3 LYS 77 HB3 LYS 77 5.754 -4.988 8.618 546 HG2 LYS 77 HG2 LYS 77 5.550 -5.709 10.952 547 HG3 LYS 77 HG3 LYS 77 6.393 -7.219 10.576 548 HD2 LYS 77 HD2 LYS 77 8.420 -5.900 9.942 549 HD3 LYS 77 HD3 LYS 77 7.573 -4.416 10.388 550 HE2 LYS 77 HE2 LYS 77 7.426 -5.206 12.720 551 HE3 LYS 77 HE3 LYS 77 8.255 -6.701 12.271 552 HZ1 LYS 77 HZ1 LYS 77 9.381 -3.956 12.126 553 HZ2 LYS 77 HZ2 LYS 77 10.168 -5.352 11.596 554 HZ3 LYS 77 HZ3 LYS 77 9.805 -5.161 13.235 555 H GLY 78 H GLY 78 3.755 -4.369 8.638 556 HA2 GLY 78 HA2 GLY 78 1.023 -4.888 9.385 557 HA3 GLY 78 HA3 GLY 78 1.976 -4.207 10.706 558 H GLU 79 H GLU 79 3.164 -2.201 10.234 559 HA GLU 79 HA GLU 79 1.608 -0.284 8.681 560 HB2 GLU 79 HB2 GLU 79 4.084 0.027 10.441 561 HB3 GLU 79 HB3 GLU 79 3.329 1.362 9.588 562 HG2 GLU 79 HG2 GLU 79 2.647 1.442 11.884 563 HG3 GLU 79 HG3 GLU 79 1.254 0.999 10.899 564 H TRP 80 H TRP 80 2.175 0.446 6.672 565 HA TRP 80 HA TRP 80 4.652 -0.586 5.418 566 HB2 TRP 80 HB2 TRP 80 2.625 -1.318 4.294 567 HB3 TRP 80 HB3 TRP 80 1.953 0.306 4.310 568 HD1 TRP 80 HD1 TRP 80 4.829 -1.670 2.547 569 HE1 TRP 80 HE1 TRP 80 5.249 -0.557 0.264 570 HE3 TRP 80 HE3 TRP 80 1.620 2.274 2.994 571 HZ2 TRP 80 HZ2 TRP 80 4.330 1.707 -1.169 572 HZ3 TRP 80 HZ3 TRP 80 1.433 3.872 1.121 573 HH2 TRP 80 HH2 TRP 80 2.764 3.593 -0.917 574 H LEU 81 H LEU 81 6.136 0.841 4.557 575 HA LEU 81 HA LEU 81 5.818 3.736 4.995 576 HB2 LEU 81 HB2 LEU 81 8.218 2.030 4.220 577 HB3 LEU 81 HB3 LEU 81 8.281 3.783 4.337 578 HG LEU 81 HG LEU 81 7.620 1.940 6.674 579 HD11 LEU 81 HD11 LEU 81 9.928 1.573 5.964 580 HD12 LEU 81 HD12 LEU 81 9.874 2.413 7.512 581 HD13 LEU 81 HD13 LEU 81 10.252 3.309 6.036 582 HD21 LEU 81 HD21 LEU 81 7.963 3.947 8.056 583 HD22 LEU 81 HD22 LEU 81 6.648 4.177 6.907 584 HD23 LEU 81 HD23 LEU 81 8.223 4.919 6.601 585 H CYS 82 H CYS 82 5.302 5.068 3.320 586 HA CYS 82 HA CYS 82 4.955 4.181 0.645 587 HB2 CYS 82 HB2 CYS 82 4.475 6.535 0.115 588 HB3 CYS 82 HB3 CYS 82 3.655 6.063 1.601 589 HA PRO 83 HA PRO 83 8.977 4.551 -1.359 590 HB2 PRO 83 HB2 PRO 83 7.679 6.555 -3.228 591 HB3 PRO 83 HB3 PRO 83 8.682 5.138 -3.616 592 HG2 PRO 83 HG2 PRO 83 6.068 4.970 -3.936 593 HG3 PRO 83 HG3 PRO 83 6.947 3.614 -3.186 594 HD2 PRO 83 HD2 PRO 83 5.243 5.714 -1.859 595 HD3 PRO 83 HD3 PRO 83 5.371 3.974 -1.504 596 H ARG 84 H ARG 84 7.307 7.609 -0.683 597 HA ARG 84 HA ARG 84 9.651 9.280 -0.706 598 HB2 ARG 84 HB2 ARG 84 7.375 10.163 -1.186 599 HB3 ARG 84 HB3 ARG 84 6.864 9.765 0.442 600 HG2 ARG 84 HG2 ARG 84 7.203 12.137 0.300 601 HG3 ARG 84 HG3 ARG 84 8.465 11.470 1.330 602 HD2 ARG 84 HD2 ARG 84 8.926 12.062 -1.611 603 HD3 ARG 84 HD3 ARG 84 9.130 13.291 -0.364 604 HE ARG 84 HE ARG 84 10.755 11.549 0.643 605 HH11 ARG 84 HH11 ARG 84 10.376 12.124 -2.821 606 HH12 ARG 84 HH12 ARG 84 12.009 11.663 -3.181 607 HH21 ARG 84 HH21 ARG 84 12.894 11.023 0.130 608 HH22 ARG 84 HH22 ARG 84 13.418 11.048 -1.526 609 H CYS 85 H CYS 85 7.941 7.404 1.778 610 HA CYS 85 HA CYS 85 9.387 8.454 4.039 611 HB2 CYS 85 HB2 CYS 85 7.691 5.957 3.675 612 HB3 CYS 85 HB3 CYS 85 8.421 6.418 5.209 613 H VAL 86 H VAL 86 9.800 5.670 1.849 614 HA VAL 86 HA VAL 86 11.891 4.303 2.957 615 HB VAL 86 HB VAL 86 11.493 4.971 0.006 616 HG11 VAL 86 HG11 VAL 86 13.281 2.833 1.243 617 HG12 VAL 86 HG12 VAL 86 13.818 4.258 0.347 618 HG13 VAL 86 HG13 VAL 86 12.919 2.987 -0.480 619 HG21 VAL 86 HG21 VAL 86 10.435 2.722 -0.111 620 HG22 VAL 86 HG22 VAL 86 9.586 3.773 1.022 621 HG23 VAL 86 HG23 VAL 86 10.669 2.518 1.628 622 H VAL 87 H VAL 87 12.327 7.062 0.680 623 HA VAL 87 HA VAL 87 14.949 7.652 1.881 624 HB VAL 87 HB VAL 87 13.557 9.211 -0.311 625 HG11 VAL 87 HG11 VAL 87 15.359 10.470 0.763 626 HG12 VAL 87 HG12 VAL 87 15.850 10.017 -0.869 627 HG13 VAL 87 HG13 VAL 87 16.484 9.129 0.521 628 HG21 VAL 87 HG21 VAL 87 14.955 7.947 -1.945 629 HG22 VAL 87 HG22 VAL 87 13.788 6.925 -1.105 630 HG23 VAL 87 HG23 VAL 87 15.492 6.889 -0.632 631 H GLU 88 H GLU 88 13.864 7.951 3.879 632 HA GLU 88 HA GLU 88 12.095 10.032 4.579 633 HB2 GLU 88 HB2 GLU 88 12.955 9.640 6.924 634 HB3 GLU 88 HB3 GLU 88 12.431 8.175 6.099 635 HG2 GLU 88 HG2 GLU 88 14.759 7.568 5.623 636 HG3 GLU 88 HG3 GLU 88 15.322 9.068 6.361 637 H GLU 89 H GLU 89 12.534 12.065 5.619 638 HA GLU 89 HA GLU 89 14.862 13.429 4.597 639 HB2 GLU 89 HB2 GLU 89 12.643 14.560 4.662 640 HB3 GLU 89 HB3 GLU 89 12.663 14.496 6.423 641 HG2 GLU 89 HG2 GLU 89 13.316 16.726 5.578 642 HG3 GLU 89 HG3 GLU 89 14.623 15.968 6.493 643 H VAL 90 H VAL 90 16.712 13.688 5.615 644 HA VAL 90 HA VAL 90 17.000 12.918 8.459 645 HB VAL 90 HB VAL 90 18.261 11.541 6.798 646 HG11 VAL 90 HG11 VAL 90 19.832 14.064 6.162 647 HG12 VAL 90 HG12 VAL 90 18.711 13.238 5.077 648 HG13 VAL 90 HG13 VAL 90 20.201 12.437 5.580 649 HG21 VAL 90 HG21 VAL 90 19.125 11.692 9.082 650 HG22 VAL 90 HG22 VAL 90 20.042 13.143 8.672 651 HG23 VAL 90 HG23 VAL 90 20.468 11.594 7.939 652 H SER 91 H SER 91 17.585 15.501 6.123 653 HA SER 91 HA SER 91 18.858 17.185 8.205 654 HB2 SER 91 HB2 SER 91 20.524 16.306 6.546 655 HB3 SER 91 HB3 SER 91 19.610 17.068 5.246 656 HG SER 91 HG SER 91 20.763 18.432 7.460 657 H LYS 92 H LYS 92 17.554 18.794 8.644 658 HA LYS 92 HA LYS 92 16.276 20.621 8.560 659 HB2 LYS 92 HB2 LYS 92 17.566 21.543 6.728 660 HB3 LYS 92 HB3 LYS 92 16.730 20.528 5.557 661 HG2 LYS 92 HG2 LYS 92 14.607 21.761 6.060 662 HG3 LYS 92 HG3 LYS 92 15.514 22.830 7.136 663 HD2 LYS 92 HD2 LYS 92 16.874 23.613 5.228 664 HD3 LYS 92 HD3 LYS 92 16.034 22.494 4.149 665 HE2 LYS 92 HE2 LYS 92 13.915 23.692 4.563 666 HE3 LYS 92 HE3 LYS 92 14.753 24.809 5.641 667 HZ1 LYS 92 HZ1 LYS 92 14.430 25.721 3.421 668 HZ2 LYS 92 HZ2 LYS 92 15.343 24.467 2.752 669 HZ3 LYS 92 HZ3 LYS 92 16.071 25.579 3.794 670 HA PRO 93 HA PRO 93 12.185 18.610 7.823 671 HB2 PRO 93 HB2 PRO 93 11.589 20.222 10.274 672 HB3 PRO 93 HB3 PRO 93 11.248 18.511 9.948 673 HG2 PRO 93 HG2 PRO 93 13.154 19.240 11.693 674 HG3 PRO 93 HG3 PRO 93 13.334 17.801 10.664 675 HD2 PRO 93 HD2 PRO 93 14.570 20.531 10.318 676 HD3 PRO 93 HD3 PRO 93 15.298 18.924 10.075 677 H GLN 94 H GLN 94 11.581 19.783 6.087 678 HA GLN 94 HA GLN 94 11.860 22.543 5.660 679 HB2 GLN 94 HB2 GLN 94 11.696 20.864 3.875 680 HB3 GLN 94 HB3 GLN 94 10.027 20.517 4.308 681 HG2 GLN 94 HG2 GLN 94 9.422 22.852 3.629 682 HG3 GLN 94 HG3 GLN 94 11.095 23.100 3.117 683 HE21 GLN 94 HE21 GLN 94 10.492 23.427 0.958 684 HE22 GLN 94 HE22 GLN 94 9.969 22.135 -0.066 Start of MODEL 15 1 H1 SER 1 H1 SER 1 -53.563 21.121 -84.388 2 H2 SER 1 H2 SER 1 -53.039 19.533 -84.145 3 H3 SER 1 H3 SER 1 -52.288 20.804 -83.322 4 HA SER 1 HA SER 1 -54.303 21.275 -82.111 5 HB2 SER 1 HB2 SER 1 -55.435 18.793 -83.505 6 HB3 SER 1 HB3 SER 1 -56.274 19.805 -82.326 7 HG SER 1 HG SER 1 -56.015 21.554 -83.873 8 H HIS 2 H HIS 2 -52.699 20.838 -80.548 9 HA HIS 2 HA HIS 2 -52.687 18.077 -79.461 10 HB2 HIS 2 HB2 HIS 2 -50.408 18.544 -78.547 11 HB3 HIS 2 HB3 HIS 2 -50.435 18.642 -80.306 12 HD2 HIS 2 HD2 HIS 2 -49.679 20.876 -77.234 13 HE1 HIS 2 HE1 HIS 2 -49.268 23.242 -80.711 14 HE2 HIS 2 HE2 HIS 2 -49.130 23.214 -78.187 15 H MET 3 H MET 3 -52.744 17.949 -77.159 16 HA MET 3 HA MET 3 -53.839 20.336 -75.773 17 HB2 MET 3 HB2 MET 3 -54.511 17.384 -75.329 18 HB3 MET 3 HB3 MET 3 -55.146 18.712 -74.369 19 HG2 MET 3 HG2 MET 3 -56.390 19.570 -76.261 20 HG3 MET 3 HG3 MET 3 -55.621 18.403 -77.341 21 HE1 MET 3 HE1 MET 3 -58.820 18.731 -77.228 22 HE2 MET 3 HE2 MET 3 -59.283 17.031 -77.247 23 HE3 MET 3 HE3 MET 3 -57.960 17.590 -78.268 24 H SER 4 H SER 4 -51.503 20.758 -75.503 25 HA SER 4 HA SER 4 -49.847 19.111 -73.852 26 HB2 SER 4 HB2 SER 4 -48.875 20.683 -75.489 27 HB3 SER 4 HB3 SER 4 -49.579 22.058 -74.630 28 HG SER 4 HG SER 4 -47.657 20.222 -73.590 29 H GLY 5 H GLY 5 -50.849 18.677 -71.945 30 HA2 GLY 5 HA2 GLY 5 -50.431 19.989 -69.639 31 HA3 GLY 5 HA3 GLY 5 -51.944 20.720 -70.179 32 H GLY 6 H GLY 6 -53.015 19.829 -68.351 33 HA2 GLY 6 HA2 GLY 6 -54.693 18.313 -67.717 34 HA3 GLY 6 HA3 GLY 6 -53.970 17.077 -68.734 35 H SER 7 H SER 7 -51.506 18.511 -66.981 36 HA SER 7 HA SER 7 -51.223 16.301 -65.141 37 HB2 SER 7 HB2 SER 7 -49.219 17.298 -66.185 38 HB3 SER 7 HB3 SER 7 -49.600 18.874 -65.493 39 HG SER 7 HG SER 7 -48.080 17.955 -64.181 40 HA PRO 8 HA PRO 8 -53.428 18.664 -61.888 41 HB2 PRO 8 HB2 PRO 8 -53.795 16.634 -60.122 42 HB3 PRO 8 HB3 PRO 8 -54.682 16.663 -61.659 43 HG2 PRO 8 HG2 PRO 8 -52.245 15.076 -60.937 44 HG3 PRO 8 HG3 PRO 8 -53.701 14.558 -61.816 45 HD2 PRO 8 HD2 PRO 8 -51.340 15.314 -63.061 46 HD3 PRO 8 HD3 PRO 8 -52.940 15.390 -63.830 47 H LEU 9 H LEU 9 -50.916 19.469 -62.053 48 HA LEU 9 HA LEU 9 -49.063 18.413 -60.182 49 HB2 LEU 9 HB2 LEU 9 -47.573 20.259 -60.757 50 HB3 LEU 9 HB3 LEU 9 -48.215 19.485 -62.185 51 HG LEU 9 HG LEU 9 -49.302 22.139 -61.151 52 HD11 LEU 9 HD11 LEU 9 -47.105 21.779 -63.209 53 HD12 LEU 9 HD12 LEU 9 -46.911 22.442 -61.585 54 HD13 LEU 9 HD13 LEU 9 -47.885 23.302 -62.773 55 HD21 LEU 9 HD21 LEU 9 -50.132 22.469 -63.430 56 HD22 LEU 9 HD22 LEU 9 -50.780 20.978 -62.752 57 HD23 LEU 9 HD23 LEU 9 -49.462 20.912 -63.925 58 H ALA 10 H ALA 10 -50.143 18.374 -58.238 59 HA ALA 10 HA ALA 10 -50.467 20.943 -56.773 60 HB1 ALA 10 HB1 ALA 10 -52.045 19.732 -55.295 61 HB2 ALA 10 HB2 ALA 10 -51.841 18.265 -56.257 62 HB3 ALA 10 HB3 ALA 10 -52.591 19.693 -56.971 63 H THR 11 H THR 11 -48.205 20.957 -56.374 64 HA THR 11 HA THR 11 -47.106 18.842 -54.633 65 HB THR 11 HB THR 11 -45.733 19.337 -56.605 66 HG1 THR 11 HG1 THR 11 -43.814 20.244 -55.255 67 HG21 THR 11 HG21 THR 11 -46.417 21.696 -56.992 68 HG22 THR 11 HG22 THR 11 -44.664 21.510 -56.975 69 HG23 THR 11 HG23 THR 11 -45.487 22.186 -55.571 70 H GLY 12 H GLY 12 -46.698 19.224 -52.540 71 HA2 GLY 12 HA2 GLY 12 -45.882 21.374 -51.127 72 HA3 GLY 12 HA3 GLY 12 -47.614 21.679 -51.281 73 H THR 13 H THR 13 -45.514 18.857 -50.609 74 HA THR 13 HA THR 13 -47.270 17.705 -48.666 75 HB THR 13 HB THR 13 -45.208 16.239 -48.102 76 HG1 THR 13 HG1 THR 13 -44.157 17.483 -50.439 77 HG21 THR 13 HG21 THR 13 -46.971 15.444 -49.642 78 HG22 THR 13 HG22 THR 13 -45.376 14.896 -50.156 79 HG23 THR 13 HG23 THR 13 -46.151 16.241 -50.991 80 H THR 14 H THR 14 -47.683 19.336 -47.168 81 HA THR 14 HA THR 14 -45.602 20.702 -45.710 82 HB THR 14 HB THR 14 -47.598 21.960 -46.079 83 HG1 THR 14 HG1 THR 14 -48.102 22.582 -43.985 84 HG21 THR 14 HG21 THR 14 -49.253 20.143 -46.386 85 HG22 THR 14 HG22 THR 14 -49.840 21.367 -45.259 86 HG23 THR 14 HG23 THR 14 -49.230 19.828 -44.648 87 H ALA 15 H ALA 15 -44.479 19.787 -44.135 88 HA ALA 15 HA ALA 15 -45.614 18.256 -41.983 89 HB1 ALA 15 HB1 ALA 15 -44.361 16.168 -42.404 90 HB2 ALA 15 HB2 ALA 15 -43.773 16.811 -43.940 91 HB3 ALA 15 HB3 ALA 15 -45.494 16.492 -43.715 92 H ASN 16 H ASN 16 -44.137 17.959 -40.268 93 HA ASN 16 HA ASN 16 -41.297 18.247 -40.613 94 HB2 ASN 16 HB2 ASN 16 -40.930 20.038 -38.934 95 HB3 ASN 16 HB3 ASN 16 -41.816 20.632 -40.330 96 HD21 ASN 16 HD21 ASN 16 -42.630 22.425 -39.190 97 HD22 ASN 16 HD22 ASN 16 -43.836 22.278 -37.960 98 H THR 17 H THR 17 -40.111 17.325 -38.941 99 HA THR 17 HA THR 17 -41.589 15.759 -36.949 100 HB THR 17 HB THR 17 -39.825 14.568 -38.191 101 HG1 THR 17 HG1 THR 17 -40.192 13.976 -36.021 102 HG21 THR 17 HG21 THR 17 -38.266 16.425 -38.683 103 HG22 THR 17 HG22 THR 17 -37.428 15.079 -37.910 104 HG23 THR 17 HG23 THR 17 -37.833 16.520 -36.974 105 H ARG 18 H ARG 18 -41.748 16.440 -34.855 106 HA ARG 18 HA ARG 18 -40.009 18.483 -33.743 107 HB2 ARG 18 HB2 ARG 18 -41.833 20.078 -33.272 108 HB3 ARG 18 HB3 ARG 18 -41.617 19.848 -35.003 109 HG2 ARG 18 HG2 ARG 18 -43.599 18.370 -35.073 110 HG3 ARG 18 HG3 ARG 18 -43.807 18.557 -33.329 111 HD2 ARG 18 HD2 ARG 18 -44.034 20.760 -35.411 112 HD3 ARG 18 HD3 ARG 18 -45.362 20.005 -34.519 113 HE ARG 18 HE ARG 18 -43.366 21.176 -32.813 114 HH11 ARG 18 HH11 ARG 18 -46.287 21.889 -34.642 115 HH12 ARG 18 HH12 ARG 18 -46.682 23.275 -33.668 116 HH21 ARG 18 HH21 ARG 18 -43.904 22.953 -31.550 117 HH22 ARG 18 HH22 ARG 18 -45.335 23.873 -31.919 118 H GLY 19 H GLY 19 -40.283 18.818 -31.524 119 HA2 GLY 19 HA2 GLY 19 -41.977 18.087 -29.631 120 HA3 GLY 19 HA3 GLY 19 -41.297 16.511 -30.038 121 H ALA 20 H ALA 20 -41.017 17.652 -27.501 122 HA ALA 20 HA ALA 20 -38.473 18.897 -27.113 123 HB1 ALA 20 HB1 ALA 20 -38.816 18.382 -24.717 124 HB2 ALA 20 HB2 ALA 20 -40.192 17.352 -25.130 125 HB3 ALA 20 HB3 ALA 20 -40.265 19.089 -25.433 126 H SER 21 H SER 21 -36.808 17.788 -28.025 127 HA SER 21 HA SER 21 -36.500 14.914 -27.830 128 HB2 SER 21 HB2 SER 21 -34.564 17.004 -28.933 129 HB3 SER 21 HB3 SER 21 -34.526 15.266 -29.242 130 HG SER 21 HG SER 21 -36.956 16.366 -29.859 131 H GLN 22 H GLN 22 -36.569 14.919 -25.464 132 HA GLN 22 HA GLN 22 -34.490 16.040 -23.865 133 HB2 GLN 22 HB2 GLN 22 -36.893 15.183 -23.140 134 HB3 GLN 22 HB3 GLN 22 -36.129 13.613 -23.016 135 HG2 GLN 22 HG2 GLN 22 -35.503 16.094 -21.395 136 HG3 GLN 22 HG3 GLN 22 -36.226 14.601 -20.818 137 HE21 GLN 22 HE21 GLN 22 -34.838 12.731 -20.628 138 HE22 GLN 22 HE22 GLN 22 -33.132 12.922 -20.438 139 H LYS 23 H LYS 23 -32.438 15.362 -23.887 140 HA LYS 23 HA LYS 23 -31.419 13.180 -25.308 141 HB2 LYS 23 HB2 LYS 23 -29.250 13.712 -24.105 142 HB3 LYS 23 HB3 LYS 23 -29.996 15.088 -24.900 143 HG2 LYS 23 HG2 LYS 23 -30.846 15.915 -22.750 144 HG3 LYS 23 HG3 LYS 23 -30.180 14.503 -21.926 145 HD2 LYS 23 HD2 LYS 23 -27.888 15.224 -22.578 146 HD3 LYS 23 HD3 LYS 23 -28.569 16.649 -23.368 147 HE2 LYS 23 HE2 LYS 23 -29.462 17.421 -21.185 148 HE3 LYS 23 HE3 LYS 23 -28.760 16.002 -20.403 149 HZ1 LYS 23 HZ1 LYS 23 -26.570 16.762 -21.047 150 HZ2 LYS 23 HZ2 LYS 23 -27.367 17.955 -20.149 151 HZ3 LYS 23 HZ3 LYS 23 -27.232 18.113 -21.827 152 H LYS 24 H LYS 24 -32.076 11.190 -24.832 153 HA LYS 24 HA LYS 24 -32.617 10.113 -22.252 154 HB2 LYS 24 HB2 LYS 24 -32.731 7.909 -23.476 155 HB3 LYS 24 HB3 LYS 24 -33.739 9.167 -24.173 156 HG2 LYS 24 HG2 LYS 24 -31.940 9.557 -25.918 157 HG3 LYS 24 HG3 LYS 24 -31.088 8.157 -25.261 158 HD2 LYS 24 HD2 LYS 24 -32.397 7.534 -27.267 159 HD3 LYS 24 HD3 LYS 24 -33.003 6.700 -25.833 160 HE2 LYS 24 HE2 LYS 24 -34.858 8.287 -25.664 161 HE3 LYS 24 HE3 LYS 24 -34.238 9.207 -27.035 162 HZ1 LYS 24 HZ1 LYS 24 -35.154 6.385 -27.145 163 HZ2 LYS 24 HZ2 LYS 24 -34.629 7.319 -28.457 164 HZ3 LYS 24 HZ3 LYS 24 -36.057 7.721 -27.641 165 H GLY 25 H GLY 25 -31.351 8.846 -20.911 166 HA2 GLY 25 HA2 GLY 25 -29.487 7.861 -19.994 167 HA3 GLY 25 HA3 GLY 25 -28.667 7.964 -21.545 168 H GLY 26 H GLY 26 -28.293 8.894 -18.490 169 HA2 GLY 26 HA2 GLY 26 -26.417 11.006 -19.162 170 HA3 GLY 26 HA3 GLY 26 -27.793 11.547 -18.197 171 H GLU 27 H GLU 27 -27.878 11.076 -16.038 172 HA GLU 27 HA GLU 27 -27.485 10.267 -13.989 173 HB2 GLU 27 HB2 GLU 27 -26.327 7.871 -15.463 174 HB3 GLU 27 HB3 GLU 27 -26.713 7.894 -13.744 175 HG2 GLU 27 HG2 GLU 27 -29.088 8.271 -14.242 176 HG3 GLU 27 HG3 GLU 27 -28.735 8.346 -15.965 177 HA PRO 28 HA PRO 28 -23.359 11.976 -13.108 178 HB2 PRO 28 HB2 PRO 28 -23.573 11.866 -10.320 179 HB3 PRO 28 HB3 PRO 28 -24.290 13.146 -11.316 180 HG2 PRO 28 HG2 PRO 28 -25.595 10.686 -10.196 181 HG3 PRO 28 HG3 PRO 28 -26.204 12.359 -10.248 182 HD2 PRO 28 HD2 PRO 28 -27.054 10.527 -12.020 183 HD3 PRO 28 HD3 PRO 28 -26.795 12.216 -12.509 184 HA PRO 29 HA PRO 29 -20.967 8.152 -12.744 185 HB2 PRO 29 HB2 PRO 29 -18.499 9.261 -12.063 186 HB3 PRO 29 HB3 PRO 29 -19.147 9.223 -13.712 187 HG2 PRO 29 HG2 PRO 29 -19.204 11.467 -11.728 188 HG3 PRO 29 HG3 PRO 29 -18.844 11.518 -13.468 189 HD2 PRO 29 HD2 PRO 29 -21.253 12.262 -12.528 190 HD3 PRO 29 HD3 PRO 29 -21.107 11.393 -14.073 191 H ALA 30 H ALA 30 -21.585 6.955 -11.067 192 HA ALA 30 HA ALA 30 -21.819 5.968 -9.065 193 HB1 ALA 30 HB1 ALA 30 -19.387 7.591 -8.231 194 HB2 ALA 30 HB2 ALA 30 -19.356 5.998 -8.988 195 HB3 ALA 30 HB3 ALA 30 -20.040 6.191 -7.374 196 H LEU 31 H LEU 31 -21.722 6.734 -6.463 197 HA LEU 31 HA LEU 31 -23.775 8.839 -6.277 198 HB2 LEU 31 HB2 LEU 31 -24.363 7.937 -4.138 199 HB3 LEU 31 HB3 LEU 31 -24.187 6.584 -5.234 200 HG LEU 31 HG LEU 31 -22.038 7.386 -3.217 201 HD11 LEU 31 HD11 LEU 31 -24.176 5.253 -2.890 202 HD12 LEU 31 HD12 LEU 31 -24.047 6.762 -1.981 203 HD13 LEU 31 HD13 LEU 31 -22.808 5.526 -1.806 204 HD21 LEU 31 HD21 LEU 31 -21.172 6.036 -5.090 205 HD22 LEU 31 HD22 LEU 31 -22.369 4.784 -4.751 206 HD23 LEU 31 HD23 LEU 31 -21.112 5.148 -3.568 207 H ILE 32 H ILE 32 -20.676 9.154 -6.474 208 HA ILE 32 HA ILE 32 -18.893 10.168 -5.600 209 HB ILE 32 HB ILE 32 -20.987 11.944 -4.267 210 HG12 ILE 32 HG12 ILE 32 -20.078 13.677 -5.898 211 HG13 ILE 32 HG13 ILE 32 -19.084 12.426 -6.616 212 HG21 ILE 32 HG21 ILE 32 -19.025 11.987 -2.779 213 HG22 ILE 32 HG22 ILE 32 -19.158 13.522 -3.633 214 HG23 ILE 32 HG23 ILE 32 -17.962 12.333 -4.146 215 HD11 ILE 32 HD11 ILE 32 -21.055 12.904 -7.948 216 HD12 ILE 32 HD12 ILE 32 -22.094 12.475 -6.592 217 HD13 ILE 32 HD13 ILE 32 -21.084 11.244 -7.351 218 H VAL 33 H VAL 33 -17.931 8.554 -4.550 219 HA VAL 33 HA VAL 33 -18.995 7.356 -2.158 220 HB VAL 33 HB VAL 33 -17.137 5.759 -2.336 221 HG11 VAL 33 HG11 VAL 33 -19.074 5.354 -3.757 222 HG12 VAL 33 HG12 VAL 33 -17.612 4.847 -4.601 223 HG13 VAL 33 HG13 VAL 33 -18.400 6.366 -5.037 224 HG21 VAL 33 HG21 VAL 33 -16.031 7.506 -4.574 225 HG22 VAL 33 HG22 VAL 33 -15.402 5.926 -4.099 226 HG23 VAL 33 HG23 VAL 33 -15.311 7.284 -2.979 227 H ASP 34 H ASP 34 -16.638 9.803 -2.859 228 HA ASP 34 HA ASP 34 -15.978 10.248 -0.093 229 HB2 ASP 34 HB2 ASP 34 -14.470 8.411 -0.386 230 HB3 ASP 34 HB3 ASP 34 -13.927 8.995 -1.953 231 HA PRO 35 HA PRO 35 -14.577 14.108 -2.101 232 HB2 PRO 35 HB2 PRO 35 -15.926 15.859 -0.586 233 HB3 PRO 35 HB3 PRO 35 -16.792 14.826 -1.741 234 HG2 PRO 35 HG2 PRO 35 -16.720 14.643 1.228 235 HG3 PRO 35 HG3 PRO 35 -17.988 14.134 0.094 236 HD2 PRO 35 HD2 PRO 35 -15.884 12.499 1.272 237 HD3 PRO 35 HD3 PRO 35 -17.210 11.989 0.201 238 H LEU 36 H LEU 36 -13.690 12.690 0.897 239 HA LEU 36 HA LEU 36 -12.247 15.125 1.858 240 HB2 LEU 36 HB2 LEU 36 -13.636 12.973 3.510 241 HB3 LEU 36 HB3 LEU 36 -12.616 14.228 4.192 242 HG LEU 36 HG LEU 36 -15.274 14.677 2.770 243 HD11 LEU 36 HD11 LEU 36 -15.561 13.705 5.002 244 HD12 LEU 36 HD12 LEU 36 -16.101 15.380 4.983 245 HD13 LEU 36 HD13 LEU 36 -14.547 14.966 5.711 246 HD21 LEU 36 HD21 LEU 36 -13.427 16.734 4.045 247 HD22 LEU 36 HD22 LEU 36 -15.052 17.054 3.432 248 HD23 LEU 36 HD23 LEU 36 -13.774 16.566 2.321 249 H MET 37 H MET 37 -11.740 12.057 0.698 250 HA MET 37 HA MET 37 -10.123 10.530 0.650 251 HB2 MET 37 HB2 MET 37 -8.555 12.601 0.589 252 HB3 MET 37 HB3 MET 37 -8.242 12.278 2.287 253 HG2 MET 37 HG2 MET 37 -7.693 10.335 0.014 254 HG3 MET 37 HG3 MET 37 -6.490 11.372 0.776 255 HE1 MET 37 HE1 MET 37 -5.977 9.749 4.265 256 HE2 MET 37 HE2 MET 37 -6.920 11.182 3.862 257 HE3 MET 37 HE3 MET 37 -5.363 10.908 3.079 258 H LYS 38 H LYS 38 -11.590 9.323 1.894 259 HA LYS 38 HA LYS 38 -11.117 9.023 4.777 260 HB2 LYS 38 HB2 LYS 38 -13.104 7.625 2.928 261 HB3 LYS 38 HB3 LYS 38 -13.051 7.453 4.680 262 HG2 LYS 38 HG2 LYS 38 -13.630 9.813 4.964 263 HG3 LYS 38 HG3 LYS 38 -13.613 10.049 3.213 264 HD2 LYS 38 HD2 LYS 38 -15.473 8.366 3.025 265 HD3 LYS 38 HD3 LYS 38 -15.528 8.284 4.789 266 HE2 LYS 38 HE2 LYS 38 -16.094 10.687 4.878 267 HE3 LYS 38 HE3 LYS 38 -16.037 10.765 3.114 268 HZ1 LYS 38 HZ1 LYS 38 -17.829 9.096 3.068 269 HZ2 LYS 38 HZ2 LYS 38 -18.290 10.539 3.817 270 HZ3 LYS 38 HZ3 LYS 38 -17.934 9.177 4.754 271 H TYR 39 H TYR 39 -8.876 8.451 3.531 272 HA TYR 39 HA TYR 39 -7.198 6.996 3.224 273 HB2 TYR 39 HB2 TYR 39 -8.821 5.251 5.128 274 HB3 TYR 39 HB3 TYR 39 -7.101 5.076 4.783 275 HD1 TYR 39 HD2 TYR 39 -5.607 7.197 5.246 276 HD2 TYR 39 HD1 TYR 39 -9.466 6.607 6.986 277 HE1 TYR 39 HE2 TYR 39 -5.065 8.822 7.003 278 HE2 TYR 39 HE1 TYR 39 -8.928 8.251 8.732 279 HH TYR 39 HH TYR 39 -6.957 9.205 9.803 280 H ILE 40 H ILE 40 -7.954 6.906 1.026 281 HA ILE 40 HA ILE 40 -8.883 4.237 0.128 282 HB ILE 40 HB ILE 40 -9.411 6.998 -1.046 283 HG12 ILE 40 HG12 ILE 40 -11.229 4.779 -0.012 284 HG13 ILE 40 HG13 ILE 40 -11.015 6.380 0.680 285 HG21 ILE 40 HG21 ILE 40 -9.981 4.349 -2.418 286 HG22 ILE 40 HG22 ILE 40 -8.803 5.553 -2.939 287 HG23 ILE 40 HG23 ILE 40 -10.525 5.931 -2.979 288 HD11 ILE 40 HD11 ILE 40 -13.133 6.244 -0.415 289 HD12 ILE 40 HD12 ILE 40 -12.385 5.695 -1.913 290 HD13 ILE 40 HD13 ILE 40 -12.098 7.339 -1.334 291 H CYS 41 H CYS 41 -7.860 3.341 -1.702 292 HA CYS 41 HA CYS 41 -5.075 3.680 -1.922 293 HB2 CYS 41 HB2 CYS 41 -6.191 1.543 -2.407 294 HB3 CYS 41 HB3 CYS 41 -7.018 2.265 -3.785 295 H HIS 42 H HIS 42 -4.084 5.256 -2.874 296 HA HIS 42 HA HIS 42 -5.295 7.315 -4.368 297 HB2 HIS 42 HB2 HIS 42 -3.134 7.310 -2.833 298 HB3 HIS 42 HB3 HIS 42 -2.281 6.915 -4.325 299 HD1 HIS 42 HD1 HIS 42 -3.253 9.695 -2.333 300 HD2 HIS 42 HD2 HIS 42 -2.928 9.002 -6.404 301 HE1 HIS 42 HE1 HIS 42 -3.154 11.968 -3.394 302 HE2 HIS 42 HE2 HIS 42 -2.965 11.527 -5.859 303 H ILE 43 H ILE 43 -3.984 4.329 -5.311 304 HA ILE 43 HA ILE 43 -3.293 5.019 -8.058 305 HB ILE 43 HB ILE 43 -3.332 2.291 -6.669 306 HG12 ILE 43 HG12 ILE 43 -0.987 4.172 -7.221 307 HG13 ILE 43 HG13 ILE 43 -1.691 3.864 -5.641 308 HG21 ILE 43 HG21 ILE 43 -2.095 3.061 -9.346 309 HG22 ILE 43 HG22 ILE 43 -3.536 2.062 -9.126 310 HG23 ILE 43 HG23 ILE 43 -1.963 1.485 -8.571 311 HD11 ILE 43 HD11 ILE 43 -0.205 1.878 -7.349 312 HD12 ILE 43 HD12 ILE 43 -0.952 1.528 -5.788 313 HD13 ILE 43 HD13 ILE 43 0.380 2.682 -5.893 314 H CYS 44 H CYS 44 -5.919 3.456 -6.233 315 HA CYS 44 HA CYS 44 -7.194 2.339 -8.611 316 HB2 CYS 44 HB2 CYS 44 -8.032 2.188 -5.683 317 HB3 CYS 44 HB3 CYS 44 -8.638 1.201 -7.020 318 H ASN 45 H ASN 45 -7.659 4.963 -6.391 319 HA ASN 45 HA ASN 45 -9.018 6.733 -6.247 320 HB2 ASN 45 HB2 ASN 45 -9.024 6.707 -8.798 321 HB3 ASN 45 HB3 ASN 45 -10.544 5.829 -8.714 322 HD21 ASN 45 HD21 ASN 45 -9.007 8.879 -8.482 323 HD22 ASN 45 HD22 ASN 45 -10.415 9.834 -8.201 324 H ARG 46 H ARG 46 -10.812 3.748 -7.095 325 HA ARG 46 HA ARG 46 -12.860 4.283 -5.073 326 HB2 ARG 46 HB2 ARG 46 -12.361 1.876 -6.878 327 HB3 ARG 46 HB3 ARG 46 -13.678 1.977 -5.716 328 HG2 ARG 46 HG2 ARG 46 -14.580 3.955 -6.935 329 HG3 ARG 46 HG3 ARG 46 -13.296 3.771 -8.134 330 HD2 ARG 46 HD2 ARG 46 -15.416 2.773 -8.916 331 HD3 ARG 46 HD3 ARG 46 -14.161 1.542 -8.742 332 HE ARG 46 HE ARG 46 -15.481 1.486 -6.351 333 HH11 ARG 46 HH11 ARG 46 -16.573 1.113 -9.682 334 HH12 ARG 46 HH12 ARG 46 -17.895 0.076 -9.256 335 HH21 ARG 46 HH21 ARG 46 -17.188 0.109 -5.809 336 HH22 ARG 46 HH22 ARG 46 -18.241 -0.495 -7.050 337 H GLY 47 H GLY 47 -12.990 3.289 -3.094 338 HA2 GLY 47 HA2 GLY 47 -10.724 1.585 -2.192 339 HA3 GLY 47 HA3 GLY 47 -11.386 2.889 -1.223 340 H ASP 48 H ASP 48 -13.016 0.397 -3.142 341 HA ASP 48 HA ASP 48 -14.983 -0.205 -1.192 342 HB2 ASP 48 HB2 ASP 48 -14.081 -1.871 -3.587 343 HB3 ASP 48 HB3 ASP 48 -15.532 -2.186 -2.642 344 H VAL 49 H VAL 49 -12.159 -2.125 -2.281 345 HA VAL 49 HA VAL 49 -12.312 -3.958 -0.049 346 HB VAL 49 HB VAL 49 -10.068 -3.660 -2.095 347 HG11 VAL 49 HG11 VAL 49 -10.763 -5.988 -0.259 348 HG12 VAL 49 HG12 VAL 49 -9.354 -4.932 -0.123 349 HG13 VAL 49 HG13 VAL 49 -9.513 -6.012 -1.508 350 HG21 VAL 49 HG21 VAL 49 -11.162 -5.502 -3.353 351 HG22 VAL 49 HG22 VAL 49 -12.187 -4.070 -3.261 352 HG23 VAL 49 HG23 VAL 49 -12.521 -5.458 -2.227 353 H GLU 50 H GLU 50 -12.275 -2.298 1.573 354 HA GLU 50 HA GLU 50 -9.931 -0.715 2.092 355 HB2 GLU 50 HB2 GLU 50 -11.057 -0.004 4.115 356 HB3 GLU 50 HB3 GLU 50 -12.202 0.011 2.781 357 HG2 GLU 50 HG2 GLU 50 -13.220 -2.072 3.568 358 HG3 GLU 50 HG3 GLU 50 -12.027 -2.197 4.858 359 H GLU 51 H GLU 51 -10.906 -3.935 2.789 360 HA GLU 51 HA GLU 51 -9.424 -4.567 5.051 361 HB2 GLU 51 HB2 GLU 51 -10.014 -6.315 2.629 362 HB3 GLU 51 HB3 GLU 51 -9.422 -6.911 4.175 363 HG2 GLU 51 HG2 GLU 51 -12.090 -5.583 3.663 364 HG3 GLU 51 HG3 GLU 51 -11.813 -7.287 3.999 365 H SER 52 H SER 52 -8.311 -4.229 1.703 366 HA SER 52 HA SER 52 -5.562 -5.039 2.432 367 HB2 SER 52 HB2 SER 52 -6.765 -4.461 -0.301 368 HB3 SER 52 HB3 SER 52 -5.181 -5.176 0.015 369 HG SER 52 HG SER 52 -6.586 -6.789 1.251 370 H MET 53 H MET 53 -7.049 -2.364 2.992 371 HA MET 53 HA MET 53 -5.590 -0.390 1.437 372 HB2 MET 53 HB2 MET 53 -8.009 -0.115 2.302 373 HB3 MET 53 HB3 MET 53 -7.320 0.132 3.900 374 HG2 MET 53 HG2 MET 53 -7.732 2.294 3.000 375 HG3 MET 53 HG3 MET 53 -5.986 2.049 2.875 376 HE1 MET 53 HE1 MET 53 -8.938 1.724 -0.673 377 HE2 MET 53 HE2 MET 53 -9.407 2.161 0.970 378 HE3 MET 53 HE3 MET 53 -8.887 0.514 0.609 379 H LEU 54 H LEU 54 -3.529 -0.007 1.953 380 HA LEU 54 HA LEU 54 -2.468 -0.431 4.669 381 HB2 LEU 54 HB2 LEU 54 -0.989 0.249 2.085 382 HB3 LEU 54 HB3 LEU 54 -0.253 -0.215 3.612 383 HG LEU 54 HG LEU 54 -1.918 -2.008 1.811 384 HD11 LEU 54 HD11 LEU 54 1.052 -2.024 2.454 385 HD12 LEU 54 HD12 LEU 54 0.313 -1.555 0.920 386 HD13 LEU 54 HD13 LEU 54 0.201 -3.221 1.473 387 HD21 LEU 54 HD21 LEU 54 -0.608 -2.636 4.478 388 HD22 LEU 54 HD22 LEU 54 -1.320 -3.828 3.387 389 HD23 LEU 54 HD23 LEU 54 -2.341 -2.604 4.135 390 H LEU 55 H LEU 55 -2.016 1.269 5.954 391 HA LEU 55 HA LEU 55 -2.252 4.016 4.901 392 HB2 LEU 55 HB2 LEU 55 -3.670 3.240 6.878 393 HB3 LEU 55 HB3 LEU 55 -2.201 3.085 7.818 394 HG LEU 55 HG LEU 55 -3.651 5.216 8.173 395 HD11 LEU 55 HD11 LEU 55 -1.392 5.104 9.109 396 HD12 LEU 55 HD12 LEU 55 -1.760 6.730 8.533 397 HD13 LEU 55 HD13 LEU 55 -0.711 5.671 7.584 398 HD21 LEU 55 HD21 LEU 55 -4.063 5.676 5.785 399 HD22 LEU 55 HD22 LEU 55 -2.354 6.057 5.560 400 HD23 LEU 55 HD23 LEU 55 -3.353 7.066 6.609 401 H CYS 56 H CYS 56 -0.361 4.971 4.399 402 HA CYS 56 HA CYS 56 2.197 4.041 5.248 403 HB2 CYS 56 HB2 CYS 56 1.921 5.195 3.101 404 HB3 CYS 56 HB3 CYS 56 1.370 6.657 3.923 405 H ASP 57 H ASP 57 2.685 4.164 7.310 406 HA ASP 57 HA ASP 57 1.734 5.875 9.319 407 HB2 ASP 57 HB2 ASP 57 2.708 3.711 9.852 408 HB3 ASP 57 HB3 ASP 57 4.244 4.156 9.129 409 H GLY 58 H GLY 58 4.456 6.164 7.126 410 HA2 GLY 58 HA2 GLY 58 5.379 8.711 8.275 411 HA3 GLY 58 HA3 GLY 58 6.164 7.778 7.007 412 H CYS 59 H CYS 59 2.728 8.505 6.917 413 HA CYS 59 HA CYS 59 3.013 10.949 5.346 414 HB2 CYS 59 HB2 CYS 59 1.692 8.492 4.112 415 HB3 CYS 59 HB3 CYS 59 1.563 10.106 3.446 416 H ASP 60 H ASP 60 0.270 8.652 5.511 417 HA ASP 60 HA ASP 60 -1.817 9.481 6.742 418 HB2 ASP 60 HB2 ASP 60 -1.224 11.898 6.671 419 HB3 ASP 60 HB3 ASP 60 -1.236 11.878 4.916 420 H ASP 61 H ASP 61 -0.424 9.277 3.546 421 HA ASP 61 HA ASP 61 -2.834 8.938 2.033 422 HB2 ASP 61 HB2 ASP 61 -0.284 9.581 1.287 423 HB3 ASP 61 HB3 ASP 61 -0.222 7.860 0.967 424 H SER 62 H SER 62 -3.363 6.946 0.832 425 HA SER 62 HA SER 62 -2.703 4.447 2.262 426 HB2 SER 62 HB2 SER 62 -5.491 5.370 1.438 427 HB3 SER 62 HB3 SER 62 -5.097 3.795 2.135 428 HG SER 62 HG SER 62 -4.342 6.144 3.484 429 H TYR 63 H TYR 63 -2.622 2.621 1.013 430 HA TYR 63 HA TYR 63 -3.048 2.718 -1.906 431 HB2 TYR 63 HB2 TYR 63 -0.391 1.944 -0.582 432 HB3 TYR 63 HB3 TYR 63 -0.752 1.786 -2.297 433 HD1 TYR 63 HD1 TYR 63 0.014 4.206 0.419 434 HD2 TYR 63 HD2 TYR 63 -0.661 3.719 -3.780 435 HE1 TYR 63 HE1 TYR 63 0.877 6.485 0.033 436 HE2 TYR 63 HE2 TYR 63 0.213 5.995 -4.164 437 HH TYR 63 HH TYR 63 1.934 7.723 -1.810 438 H HIS 64 H HIS 64 -3.735 0.666 -2.659 439 HA HIS 64 HA HIS 64 -4.134 -1.502 -0.800 440 HB2 HIS 64 HB2 HIS 64 -4.397 -1.400 -3.832 441 HB3 HIS 64 HB3 HIS 64 -4.718 -2.860 -2.904 442 HD2 HIS 64 HD2 HIS 64 -6.475 -1.132 -0.547 443 HE1 HIS 64 HE1 HIS 64 -9.070 -0.711 -3.867 444 HE2 HIS 64 HE2 HIS 64 -8.927 -0.879 -1.344 445 H THR 65 H THR 65 -3.025 -3.412 -0.602 446 HA THR 65 HA THR 65 -0.318 -3.746 -0.975 447 HB THR 65 HB THR 65 -0.884 -6.283 -0.911 448 HG1 THR 65 HG1 THR 65 -3.152 -6.651 -0.339 449 HG21 THR 65 HG21 THR 65 -0.383 -5.073 1.167 450 HG22 THR 65 HG22 THR 65 -1.682 -6.236 1.434 451 HG23 THR 65 HG23 THR 65 -2.056 -4.519 1.271 452 H PHE 66 H PHE 66 -2.907 -4.958 -3.067 453 HA PHE 66 HA PHE 66 -1.127 -6.191 -4.957 454 HB2 PHE 66 HB2 PHE 66 -3.263 -6.872 -6.110 455 HB3 PHE 66 HB3 PHE 66 -3.143 -7.370 -4.433 456 HD1 PHE 66 HD1 PHE 66 -4.585 -6.281 -2.677 457 HD2 PHE 66 HD2 PHE 66 -5.007 -5.300 -6.822 458 HE1 PHE 66 HE1 PHE 66 -6.781 -5.255 -2.225 459 HE2 PHE 66 HE2 PHE 66 -7.195 -4.282 -6.348 460 HZ PHE 66 HZ PHE 66 -8.081 -4.252 -4.054 461 H CYS 67 H CYS 67 -2.306 -3.016 -4.744 462 HA CYS 67 HA CYS 67 -2.468 -2.543 -7.632 463 HB2 CYS 67 HB2 CYS 67 -2.921 -0.672 -5.273 464 HB3 CYS 67 HB3 CYS 67 -3.243 -0.308 -6.978 465 H LEU 68 H LEU 68 -0.235 -2.141 -5.007 466 HA LEU 68 HA LEU 68 1.553 -0.254 -6.251 467 HB2 LEU 68 HB2 LEU 68 1.896 -2.264 -3.981 468 HB3 LEU 68 HB3 LEU 68 3.152 -1.132 -4.460 469 HG LEU 68 HG LEU 68 0.409 -0.153 -3.573 470 HD11 LEU 68 HD11 LEU 68 1.303 0.141 -1.319 471 HD12 LEU 68 HD12 LEU 68 2.820 -0.629 -1.793 472 HD13 LEU 68 HD13 LEU 68 1.322 -1.561 -1.780 473 HD21 LEU 68 HD21 LEU 68 1.801 1.471 -4.786 474 HD22 LEU 68 HD22 LEU 68 3.128 1.212 -3.651 475 HD23 LEU 68 HD23 LEU 68 1.618 1.938 -3.094 476 H LEU 69 H LEU 69 3.758 -0.842 -7.005 477 HA LEU 69 HA LEU 69 4.056 -3.603 -8.040 478 HB2 LEU 69 HB2 LEU 69 5.066 -1.035 -9.331 479 HB3 LEU 69 HB3 LEU 69 5.414 -2.655 -9.911 480 HG LEU 69 HG LEU 69 2.676 -1.329 -9.867 481 HD11 LEU 69 HD11 LEU 69 4.145 -0.399 -11.596 482 HD12 LEU 69 HD12 LEU 69 2.840 -1.336 -12.314 483 HD13 LEU 69 HD13 LEU 69 4.465 -2.019 -12.222 484 HD21 LEU 69 HD21 LEU 69 2.456 -3.742 -9.469 485 HD22 LEU 69 HD22 LEU 69 3.431 -4.084 -10.900 486 HD23 LEU 69 HD23 LEU 69 1.852 -3.312 -11.070 487 HA PRO 70 HA PRO 70 5.270 -5.274 -8.027 488 HB2 PRO 70 HB2 PRO 70 6.673 -6.811 -5.909 489 HB3 PRO 70 HB3 PRO 70 6.849 -6.927 -7.670 490 HG2 PRO 70 HG2 PRO 70 8.811 -5.922 -6.114 491 HG3 PRO 70 HG3 PRO 70 8.517 -5.335 -7.767 492 HD2 PRO 70 HD2 PRO 70 7.628 -4.093 -5.151 493 HD3 PRO 70 HD3 PRO 70 8.387 -3.315 -6.563 494 HA PRO 71 HA PRO 71 1.779 -5.220 -5.216 495 HB2 PRO 71 HB2 PRO 71 0.603 -7.662 -5.953 496 HB3 PRO 71 HB3 PRO 71 0.413 -6.145 -6.845 497 HG2 PRO 71 HG2 PRO 71 2.299 -8.407 -7.390 498 HG3 PRO 71 HG3 PRO 71 1.316 -7.463 -8.534 499 HD2 PRO 71 HD2 PRO 71 3.921 -6.944 -8.261 500 HD3 PRO 71 HD3 PRO 71 2.759 -5.614 -8.459 501 H LEU 72 H LEU 72 1.432 -5.853 -3.130 502 HA LEU 72 HA LEU 72 3.334 -7.710 -1.915 503 HB2 LEU 72 HB2 LEU 72 1.257 -5.896 -0.593 504 HB3 LEU 72 HB3 LEU 72 2.594 -6.706 0.206 505 HG LEU 72 HG LEU 72 2.794 -4.404 -1.773 506 HD11 LEU 72 HD11 LEU 72 2.064 -3.687 0.443 507 HD12 LEU 72 HD12 LEU 72 3.698 -3.119 0.119 508 HD13 LEU 72 HD13 LEU 72 3.443 -4.499 1.191 509 HD21 LEU 72 HD21 LEU 72 5.230 -4.428 -1.374 510 HD22 LEU 72 HD22 LEU 72 4.673 -5.907 -2.154 511 HD23 LEU 72 HD23 LEU 72 5.058 -5.912 -0.431 512 H THR 73 H THR 73 2.711 -9.771 -1.624 513 HA THR 73 HA THR 73 0.071 -10.690 -2.218 514 HB THR 73 HB THR 73 2.350 -12.312 -0.989 515 HG1 THR 73 HG1 THR 73 3.245 -11.359 -2.781 516 HG21 THR 73 HG21 THR 73 1.395 -14.209 -2.261 517 HG22 THR 73 HG22 THR 73 0.108 -13.171 -2.874 518 HG23 THR 73 HG23 THR 73 0.191 -13.545 -1.152 519 H SER 74 H SER 74 1.501 -9.525 0.639 520 HA SER 74 HA SER 74 -0.565 -10.644 2.398 521 HB2 SER 74 HB2 SER 74 1.215 -11.113 4.134 522 HB3 SER 74 HB3 SER 74 1.347 -12.137 2.702 523 HG SER 74 HG SER 74 2.949 -9.930 3.462 524 H ILE 75 H ILE 75 -1.055 -9.365 4.150 525 HA ILE 75 HA ILE 75 -0.427 -6.511 3.932 526 HB ILE 75 HB ILE 75 -2.494 -7.974 5.648 527 HG12 ILE 75 HG12 ILE 75 -2.923 -6.424 3.052 528 HG13 ILE 75 HG13 ILE 75 -2.877 -8.178 3.162 529 HG21 ILE 75 HG21 ILE 75 -1.880 -5.783 6.631 530 HG22 ILE 75 HG22 ILE 75 -3.538 -5.760 6.028 531 HG23 ILE 75 HG23 ILE 75 -2.251 -4.992 5.099 532 HD11 ILE 75 HD11 ILE 75 -4.914 -6.367 4.435 533 HD12 ILE 75 HD12 ILE 75 -4.856 -8.123 4.605 534 HD13 ILE 75 HD13 ILE 75 -5.138 -7.399 3.022 535 HA PRO 76 HA PRO 76 2.524 -6.935 7.414 536 HB2 PRO 76 HB2 PRO 76 2.990 -4.254 7.878 537 HB3 PRO 76 HB3 PRO 76 3.674 -5.129 6.494 538 HG2 PRO 76 HG2 PRO 76 1.221 -3.394 6.577 539 HG3 PRO 76 HG3 PRO 76 2.554 -3.396 5.397 540 HD2 PRO 76 HD2 PRO 76 0.217 -4.632 4.872 541 HD3 PRO 76 HD3 PRO 76 1.762 -5.306 4.303 542 H LYS 77 H LYS 77 -0.637 -5.811 7.624 543 HA LYS 77 HA LYS 77 -2.165 -5.325 9.186 544 HB2 LYS 77 HB2 LYS 77 -0.408 -7.230 10.771 545 HB3 LYS 77 HB3 LYS 77 -2.052 -6.796 11.225 546 HG2 LYS 77 HG2 LYS 77 -2.904 -7.811 9.130 547 HG3 LYS 77 HG3 LYS 77 -1.253 -8.250 8.675 548 HD2 LYS 77 HD2 LYS 77 -1.078 -9.726 10.646 549 HD3 LYS 77 HD3 LYS 77 -2.696 -9.251 11.171 550 HE2 LYS 77 HE2 LYS 77 -3.642 -10.239 9.102 551 HE3 LYS 77 HE3 LYS 77 -2.027 -10.736 8.604 552 HZ1 LYS 77 HZ1 LYS 77 -1.890 -12.177 10.511 553 HZ2 LYS 77 HZ2 LYS 77 -3.288 -12.533 9.629 554 HZ3 LYS 77 HZ3 LYS 77 -3.403 -11.655 11.070 555 H GLY 78 H GLY 78 0.458 -3.590 9.397 556 HA2 GLY 78 HA2 GLY 78 -0.480 -1.938 11.561 557 HA3 GLY 78 HA3 GLY 78 0.992 -2.814 11.994 558 H GLU 79 H GLU 79 2.735 -1.525 11.757 559 HA GLU 79 HA GLU 79 2.748 0.900 10.321 560 HB2 GLU 79 HB2 GLU 79 5.242 0.905 10.843 561 HB3 GLU 79 HB3 GLU 79 4.178 0.776 12.238 562 HG2 GLU 79 HG2 GLU 79 4.665 -1.587 12.478 563 HG3 GLU 79 HG3 GLU 79 5.546 -1.614 10.953 564 H TRP 80 H TRP 80 2.373 0.727 8.127 565 HA TRP 80 HA TRP 80 4.495 -0.580 6.514 566 HB2 TRP 80 HB2 TRP 80 2.250 -1.384 5.926 567 HB3 TRP 80 HB3 TRP 80 1.643 0.262 5.782 568 HD1 TRP 80 HD1 TRP 80 4.131 -2.135 3.957 569 HE1 TRP 80 HE1 TRP 80 4.283 -1.366 1.503 570 HE3 TRP 80 HE3 TRP 80 1.269 2.068 4.268 571 HZ2 TRP 80 HZ2 TRP 80 3.297 0.746 -0.094 572 HZ3 TRP 80 HZ3 TRP 80 0.909 3.424 2.227 573 HH2 TRP 80 HH2 TRP 80 1.912 2.768 0.093 574 H LEU 81 H LEU 81 5.640 0.715 5.106 575 HA LEU 81 HA LEU 81 5.178 3.644 5.183 576 HB2 LEU 81 HB2 LEU 81 7.824 2.138 4.916 577 HB3 LEU 81 HB3 LEU 81 7.640 3.879 4.820 578 HG LEU 81 HG LEU 81 7.189 2.163 7.286 579 HD11 LEU 81 HD11 LEU 81 9.560 2.523 6.767 580 HD12 LEU 81 HD12 LEU 81 9.101 3.392 8.227 581 HD13 LEU 81 HD13 LEU 81 9.302 4.268 6.708 582 HD21 LEU 81 HD21 LEU 81 6.761 4.275 8.498 583 HD22 LEU 81 HD22 LEU 81 5.535 3.959 7.274 584 HD23 LEU 81 HD23 LEU 81 6.795 5.157 6.968 585 H CYS 82 H CYS 82 4.934 4.594 3.256 586 HA CYS 82 HA CYS 82 4.694 3.177 0.817 587 HB2 CYS 82 HB2 CYS 82 4.361 5.438 -0.171 588 HB3 CYS 82 HB3 CYS 82 3.409 5.229 1.297 589 HA PRO 83 HA PRO 83 8.871 3.232 -1.007 590 HB2 PRO 83 HB2 PRO 83 7.523 4.641 -3.331 591 HB3 PRO 83 HB3 PRO 83 8.660 3.273 -3.351 592 HG2 PRO 83 HG2 PRO 83 6.085 2.807 -3.709 593 HG3 PRO 83 HG3 PRO 83 7.037 1.725 -2.664 594 HD2 PRO 83 HD2 PRO 83 5.075 3.868 -1.871 595 HD3 PRO 83 HD3 PRO 83 5.381 2.280 -1.123 596 H ARG 84 H ARG 84 6.900 6.191 -1.137 597 HA ARG 84 HA ARG 84 8.914 8.120 -1.559 598 HB2 ARG 84 HB2 ARG 84 6.469 8.560 -1.784 599 HB3 ARG 84 HB3 ARG 84 6.281 8.417 -0.042 600 HG2 ARG 84 HG2 ARG 84 7.683 10.417 0.287 601 HG3 ARG 84 HG3 ARG 84 7.924 10.555 -1.457 602 HD2 ARG 84 HD2 ARG 84 5.287 10.808 0.023 603 HD3 ARG 84 HD3 ARG 84 6.208 12.126 -0.700 604 HE ARG 84 HE ARG 84 4.587 10.118 -2.092 605 HH11 ARG 84 HH11 ARG 84 6.780 12.872 -2.396 606 HH12 ARG 84 HH12 ARG 84 6.341 13.179 -4.047 607 HH21 ARG 84 HH21 ARG 84 4.041 10.528 -4.241 608 HH22 ARG 84 HH22 ARG 84 4.785 11.844 -5.097 609 H CYS 85 H CYS 85 7.702 6.624 1.442 610 HA CYS 85 HA CYS 85 9.103 8.241 3.294 611 HB2 CYS 85 HB2 CYS 85 8.197 5.357 3.598 612 HB3 CYS 85 HB3 CYS 85 8.709 6.418 4.929 613 H VAL 86 H VAL 86 10.035 5.432 1.471 614 HA VAL 86 HA VAL 86 12.541 4.965 2.794 615 HB VAL 86 HB VAL 86 11.650 3.983 0.042 616 HG11 VAL 86 HG11 VAL 86 13.744 2.848 1.933 617 HG12 VAL 86 HG12 VAL 86 14.065 3.698 0.420 618 HG13 VAL 86 HG13 VAL 86 13.248 2.135 0.397 619 HG21 VAL 86 HG21 VAL 86 10.851 1.924 1.167 620 HG22 VAL 86 HG22 VAL 86 9.959 3.352 1.702 621 HG23 VAL 86 HG23 VAL 86 11.203 2.650 2.738 622 H VAL 87 H VAL 87 11.496 6.704 -0.138 623 HA VAL 87 HA VAL 87 14.031 7.402 -1.184 624 HB VAL 87 HB VAL 87 11.362 8.867 -1.490 625 HG11 VAL 87 HG11 VAL 87 13.915 9.271 -3.113 626 HG12 VAL 87 HG12 VAL 87 13.198 10.436 -1.998 627 HG13 VAL 87 HG13 VAL 87 12.345 9.995 -3.477 628 HG21 VAL 87 HG21 VAL 87 12.755 6.915 -3.364 629 HG22 VAL 87 HG22 VAL 87 11.226 7.739 -3.684 630 HG23 VAL 87 HG23 VAL 87 11.339 6.563 -2.375 631 H GLU 88 H GLU 88 11.816 9.269 0.912 632 HA GLU 88 HA GLU 88 13.601 11.470 1.319 633 HB2 GLU 88 HB2 GLU 88 12.005 12.265 2.948 634 HB3 GLU 88 HB3 GLU 88 11.096 11.583 1.607 635 HG2 GLU 88 HG2 GLU 88 10.789 9.488 2.949 636 HG3 GLU 88 HG3 GLU 88 11.609 10.274 4.292 637 H GLU 89 H GLU 89 13.475 8.329 2.583 638 HA GLU 89 HA GLU 89 14.812 7.120 3.914 639 HB2 GLU 89 HB2 GLU 89 16.721 8.631 3.386 640 HB3 GLU 89 HB3 GLU 89 16.225 9.711 4.682 641 HG2 GLU 89 HG2 GLU 89 18.108 8.397 5.437 642 HG3 GLU 89 HG3 GLU 89 16.671 7.883 6.321 643 H VAL 90 H VAL 90 14.595 6.301 5.986 644 HA VAL 90 HA VAL 90 12.666 7.550 7.760 645 HB VAL 90 HB VAL 90 14.335 5.028 8.239 646 HG11 VAL 90 HG11 VAL 90 12.594 4.461 9.907 647 HG12 VAL 90 HG12 VAL 90 11.778 5.990 9.587 648 HG13 VAL 90 HG13 VAL 90 13.388 5.985 10.311 649 HG21 VAL 90 HG21 VAL 90 12.997 4.804 6.177 650 HG22 VAL 90 HG22 VAL 90 11.538 5.259 7.058 651 HG23 VAL 90 HG23 VAL 90 12.370 3.752 7.449 652 H SER 91 H SER 91 13.211 8.975 9.316 653 HA SER 91 HA SER 91 15.822 9.977 9.590 654 HB2 SER 91 HB2 SER 91 13.744 11.315 9.991 655 HB3 SER 91 HB3 SER 91 13.474 10.421 11.483 656 HG SER 91 HG SER 91 14.589 12.065 12.237 657 H LYS 92 H LYS 92 17.491 9.090 10.630 658 HA LYS 92 HA LYS 92 17.236 7.976 13.329 659 HB2 LYS 92 HB2 LYS 92 18.531 5.934 12.760 660 HB3 LYS 92 HB3 LYS 92 17.002 5.976 11.891 661 HG2 LYS 92 HG2 LYS 92 18.114 6.619 9.834 662 HG3 LYS 92 HG3 LYS 92 19.661 6.795 10.660 663 HD2 LYS 92 HD2 LYS 92 18.191 4.134 10.561 664 HD3 LYS 92 HD3 LYS 92 19.268 4.644 9.265 665 HE2 LYS 92 HE2 LYS 92 20.501 3.191 10.743 666 HE3 LYS 92 HE3 LYS 92 21.124 4.826 10.951 667 HZ1 LYS 92 HZ1 LYS 92 19.153 3.534 12.769 668 HZ2 LYS 92 HZ2 LYS 92 19.931 5.021 13.005 669 HZ3 LYS 92 HZ3 LYS 92 20.822 3.587 13.044 670 HA PRO 93 HA PRO 93 21.328 9.930 13.703 671 HB2 PRO 93 HB2 PRO 93 22.467 8.330 15.662 672 HB3 PRO 93 HB3 PRO 93 21.287 9.609 16.007 673 HG2 PRO 93 HG2 PRO 93 20.818 6.660 15.736 674 HG3 PRO 93 HG3 PRO 93 20.181 7.794 16.951 675 HD2 PRO 93 HD2 PRO 93 18.675 6.999 14.854 676 HD3 PRO 93 HD3 PRO 93 18.562 8.655 15.497 677 H GLN 94 H GLN 94 23.466 9.547 13.081 678 HA GLN 94 HA GLN 94 23.953 7.324 11.293 679 HB2 GLN 94 HB2 GLN 94 25.780 9.626 12.136 680 HB3 GLN 94 HB3 GLN 94 26.143 8.468 10.865 681 HG2 GLN 94 HG2 GLN 94 24.278 9.283 9.517 682 HG3 GLN 94 HG3 GLN 94 23.791 10.383 10.807 683 HE21 GLN 94 HE21 GLN 94 24.556 10.992 8.030 684 HE22 GLN 94 HE22 GLN 94 25.876 12.104 8.142 Start of MODEL 16 1 H1 SER 1 H1 SER 1 -86.203 29.166 -51.857 2 H2 SER 1 H2 SER 1 -86.001 30.820 -51.576 3 H3 SER 1 H3 SER 1 -85.572 29.704 -50.386 4 HA SER 1 HA SER 1 -84.289 29.937 -53.039 5 HB2 SER 1 HB2 SER 1 -83.258 30.794 -50.299 6 HB3 SER 1 HB3 SER 1 -82.400 30.965 -51.833 7 HG SER 1 HG SER 1 -84.375 32.249 -52.448 8 H HIS 2 H HIS 2 -82.017 28.836 -52.820 9 HA HIS 2 HA HIS 2 -82.358 26.103 -51.957 10 HB2 HIS 2 HB2 HIS 2 -79.968 27.552 -53.182 11 HB3 HIS 2 HB3 HIS 2 -79.961 25.840 -52.782 12 HD2 HIS 2 HD2 HIS 2 -81.315 28.242 -55.511 13 HE1 HIS 2 HE1 HIS 2 -82.330 24.277 -56.568 14 HE2 HIS 2 HE2 HIS 2 -82.505 26.710 -57.222 15 H MET 3 H MET 3 -82.664 26.342 -49.712 16 HA MET 3 HA MET 3 -80.365 27.092 -48.031 17 HB2 MET 3 HB2 MET 3 -82.799 27.803 -47.533 18 HB3 MET 3 HB3 MET 3 -83.116 26.125 -47.121 19 HG2 MET 3 HG2 MET 3 -81.466 26.260 -45.297 20 HG3 MET 3 HG3 MET 3 -81.109 27.926 -45.740 21 HE1 MET 3 HE1 MET 3 -84.598 25.996 -45.479 22 HE2 MET 3 HE2 MET 3 -85.115 26.533 -43.882 23 HE3 MET 3 HE3 MET 3 -83.710 25.481 -44.040 24 H SER 4 H SER 4 -80.891 24.551 -49.849 25 HA SER 4 HA SER 4 -80.838 22.273 -48.130 26 HB2 SER 4 HB2 SER 4 -79.972 22.457 -51.047 27 HB3 SER 4 HB3 SER 4 -80.472 21.003 -50.179 28 HG SER 4 HG SER 4 -82.502 22.475 -49.859 29 H GLY 5 H GLY 5 -79.166 22.660 -46.654 30 HA2 GLY 5 HA2 GLY 5 -76.640 21.602 -46.991 31 HA3 GLY 5 HA3 GLY 5 -76.463 23.323 -47.354 32 H GLY 6 H GLY 6 -75.196 23.767 -45.528 33 HA2 GLY 6 HA2 GLY 6 -74.735 24.368 -43.368 34 HA3 GLY 6 HA3 GLY 6 -76.471 24.449 -43.105 35 H SER 7 H SER 7 -74.733 21.552 -44.084 36 HA SER 7 HA SER 7 -75.552 20.181 -41.600 37 HB2 SER 7 HB2 SER 7 -75.252 18.087 -43.028 38 HB3 SER 7 HB3 SER 7 -76.544 19.167 -43.550 39 HG SER 7 HG SER 7 -73.924 19.231 -44.653 40 HA PRO 8 HA PRO 8 -71.024 20.735 -41.057 41 HB2 PRO 8 HB2 PRO 8 -71.527 20.301 -38.164 42 HB3 PRO 8 HB3 PRO 8 -70.925 21.754 -38.987 43 HG2 PRO 8 HG2 PRO 8 -73.372 21.692 -37.876 44 HG3 PRO 8 HG3 PRO 8 -73.046 22.593 -39.377 45 HD2 PRO 8 HD2 PRO 8 -74.267 19.834 -39.086 46 HD3 PRO 8 HD3 PRO 8 -74.833 21.211 -40.063 47 H LEU 9 H LEU 9 -70.661 18.699 -42.130 48 HA LEU 9 HA LEU 9 -70.319 16.337 -40.392 49 HB2 LEU 9 HB2 LEU 9 -69.854 15.104 -42.517 50 HB3 LEU 9 HB3 LEU 9 -71.437 15.840 -42.453 51 HG LEU 9 HG LEU 9 -70.136 17.783 -43.865 52 HD11 LEU 9 HD11 LEU 9 -68.626 16.822 -45.530 53 HD12 LEU 9 HD12 LEU 9 -68.693 15.253 -44.721 54 HD13 LEU 9 HD13 LEU 9 -67.969 16.642 -43.907 55 HD21 LEU 9 HD21 LEU 9 -71.096 16.841 -45.909 56 HD22 LEU 9 HD22 LEU 9 -72.216 16.696 -44.555 57 HD23 LEU 9 HD23 LEU 9 -71.316 15.280 -45.109 58 H ALA 10 H ALA 10 -68.408 15.843 -39.546 59 HA ALA 10 HA ALA 10 -65.884 16.147 -40.829 60 HB1 ALA 10 HB1 ALA 10 -66.149 18.527 -40.179 61 HB2 ALA 10 HB2 ALA 10 -64.828 17.777 -39.282 62 HB3 ALA 10 HB3 ALA 10 -66.388 18.052 -38.497 63 H THR 11 H THR 11 -64.117 15.366 -39.457 64 HA THR 11 HA THR 11 -64.585 14.143 -36.913 65 HB THR 11 HB THR 11 -65.761 12.478 -38.362 66 HG1 THR 11 HG1 THR 11 -64.751 11.660 -36.539 67 HG21 THR 11 HG21 THR 11 -63.059 11.998 -39.682 68 HG22 THR 11 HG22 THR 11 -64.427 12.800 -40.457 69 HG23 THR 11 HG23 THR 11 -64.549 11.103 -39.990 70 H GLY 12 H GLY 12 -62.589 12.835 -36.255 71 HA2 GLY 12 HA2 GLY 12 -60.284 12.318 -36.445 72 HA3 GLY 12 HA3 GLY 12 -60.101 13.548 -37.689 73 H THR 13 H THR 13 -58.870 12.947 -34.917 74 HA THR 13 HA THR 13 -58.821 15.742 -33.958 75 HB THR 13 HB THR 13 -60.323 14.564 -32.415 76 HG1 THR 13 HG1 THR 13 -59.401 15.535 -30.778 77 HG21 THR 13 HG21 THR 13 -59.559 12.655 -31.037 78 HG22 THR 13 HG22 THR 13 -58.051 12.589 -31.953 79 HG23 THR 13 HG23 THR 13 -59.586 12.243 -32.754 80 H THR 14 H THR 14 -56.931 16.253 -32.721 81 HA THR 14 HA THR 14 -54.564 14.516 -33.048 82 HB THR 14 HB THR 14 -54.626 17.515 -33.719 83 HG1 THR 14 HG1 THR 14 -55.677 16.104 -35.279 84 HG21 THR 14 HG21 THR 14 -52.383 15.494 -34.106 85 HG22 THR 14 HG22 THR 14 -52.406 16.775 -32.892 86 HG23 THR 14 HG23 THR 14 -52.347 17.189 -34.608 87 H ALA 15 H ALA 15 -55.116 14.089 -30.775 88 HA ALA 15 HA ALA 15 -53.969 16.019 -28.900 89 HB1 ALA 15 HB1 ALA 15 -56.861 15.132 -28.600 90 HB2 ALA 15 HB2 ALA 15 -56.318 16.751 -29.043 91 HB3 ALA 15 HB3 ALA 15 -55.945 16.104 -27.446 92 H ASN 16 H ASN 16 -52.421 14.353 -28.755 93 HA ASN 16 HA ASN 16 -52.912 12.592 -26.516 94 HB2 ASN 16 HB2 ASN 16 -52.079 10.521 -27.609 95 HB3 ASN 16 HB3 ASN 16 -53.570 11.082 -28.353 96 HD21 ASN 16 HD21 ASN 16 -53.501 11.916 -30.469 97 HD22 ASN 16 HD22 ASN 16 -52.155 11.640 -31.515 98 H THR 17 H THR 17 -51.156 14.898 -27.703 99 HA THR 17 HA THR 17 -48.432 13.952 -27.457 100 HB THR 17 HB THR 17 -49.534 16.803 -27.637 101 HG1 THR 17 HG1 THR 17 -48.462 15.079 -29.643 102 HG21 THR 17 HG21 THR 17 -47.209 16.753 -26.739 103 HG22 THR 17 HG22 THR 17 -47.263 17.448 -28.362 104 HG23 THR 17 HG23 THR 17 -46.705 15.791 -28.129 105 H ARG 18 H ARG 18 -47.449 13.642 -25.549 106 HA ARG 18 HA ARG 18 -47.696 15.344 -23.248 107 HB2 ARG 18 HB2 ARG 18 -48.505 13.330 -21.745 108 HB3 ARG 18 HB3 ARG 18 -49.691 14.266 -22.641 109 HG2 ARG 18 HG2 ARG 18 -50.309 11.952 -22.833 110 HG3 ARG 18 HG3 ARG 18 -49.727 12.482 -24.407 111 HD2 ARG 18 HD2 ARG 18 -47.487 11.418 -23.796 112 HD3 ARG 18 HD3 ARG 18 -48.301 10.712 -22.397 113 HE ARG 18 HE ARG 18 -49.707 10.131 -24.796 114 HH11 ARG 18 HH11 ARG 18 -46.830 9.150 -23.004 115 HH12 ARG 18 HH12 ARG 18 -46.805 7.556 -23.692 116 HH21 ARG 18 HH21 ARG 18 -49.627 8.050 -25.699 117 HH22 ARG 18 HH22 ARG 18 -48.380 6.939 -25.212 118 H GLY 19 H GLY 19 -46.163 14.771 -21.573 119 HA2 GLY 19 HA2 GLY 19 -44.396 13.529 -20.626 120 HA3 GLY 19 HA3 GLY 19 -44.259 12.585 -22.098 121 H ALA 20 H ALA 20 -42.702 14.844 -20.271 122 HA ALA 20 HA ALA 20 -40.697 15.349 -22.269 123 HB1 ALA 20 HB1 ALA 20 -42.258 17.191 -22.815 124 HB2 ALA 20 HB2 ALA 20 -40.740 17.817 -22.166 125 HB3 ALA 20 HB3 ALA 20 -42.183 17.758 -21.146 126 H SER 21 H SER 21 -39.099 14.531 -20.971 127 HA SER 21 HA SER 21 -38.301 15.964 -18.575 128 HB2 SER 21 HB2 SER 21 -39.934 14.397 -17.596 129 HB3 SER 21 HB3 SER 21 -39.166 13.038 -18.408 130 HG SER 21 HG SER 21 -37.877 14.694 -16.494 131 H GLN 22 H GLN 22 -36.224 16.307 -19.084 132 HA GLN 22 HA GLN 22 -34.409 14.117 -18.850 133 HB2 GLN 22 HB2 GLN 22 -34.751 14.016 -21.323 134 HB3 GLN 22 HB3 GLN 22 -34.263 15.704 -21.460 135 HG2 GLN 22 HG2 GLN 22 -32.002 15.167 -20.706 136 HG3 GLN 22 HG3 GLN 22 -32.459 13.499 -20.383 137 HE21 GLN 22 HE21 GLN 22 -32.752 12.077 -22.147 138 HE22 GLN 22 HE22 GLN 22 -32.131 12.442 -23.718 139 H LYS 23 H LYS 23 -33.841 15.236 -16.996 140 HA LYS 23 HA LYS 23 -31.831 17.348 -17.404 141 HB2 LYS 23 HB2 LYS 23 -34.088 17.538 -15.357 142 HB3 LYS 23 HB3 LYS 23 -32.616 18.497 -15.257 143 HG2 LYS 23 HG2 LYS 23 -33.194 19.531 -17.460 144 HG3 LYS 23 HG3 LYS 23 -34.724 18.642 -17.439 145 HD2 LYS 23 HD2 LYS 23 -35.390 19.801 -15.369 146 HD3 LYS 23 HD3 LYS 23 -33.839 20.644 -15.310 147 HE2 LYS 23 HE2 LYS 23 -35.483 22.180 -16.174 148 HE3 LYS 23 HE3 LYS 23 -34.432 21.716 -17.513 149 HZ1 LYS 23 HZ1 LYS 23 -37.128 20.601 -16.954 150 HZ2 LYS 23 HZ2 LYS 23 -36.126 20.144 -18.236 151 HZ3 LYS 23 HZ3 LYS 23 -36.743 21.715 -18.164 152 H LYS 24 H LYS 24 -30.133 17.252 -15.947 153 HA LYS 24 HA LYS 24 -30.171 15.864 -13.454 154 HB2 LYS 24 HB2 LYS 24 -28.390 14.192 -13.950 155 HB3 LYS 24 HB3 LYS 24 -29.887 13.844 -14.802 156 HG2 LYS 24 HG2 LYS 24 -28.975 14.483 -16.915 157 HG3 LYS 24 HG3 LYS 24 -27.607 15.310 -16.164 158 HD2 LYS 24 HD2 LYS 24 -26.999 13.127 -17.228 159 HD3 LYS 24 HD3 LYS 24 -26.593 13.212 -15.513 160 HE2 LYS 24 HE2 LYS 24 -27.533 11.016 -16.094 161 HE3 LYS 24 HE3 LYS 24 -28.604 11.860 -14.978 162 HZ1 LYS 24 HZ1 LYS 24 -28.962 11.675 -17.921 163 HZ2 LYS 24 HZ2 LYS 24 -30.004 12.463 -16.849 164 HZ3 LYS 24 HZ3 LYS 24 -29.816 10.788 -16.761 165 H GLY 25 H GLY 25 -27.484 15.564 -12.942 166 HA2 GLY 25 HA2 GLY 25 -25.426 16.645 -12.762 167 HA3 GLY 25 HA3 GLY 25 -26.015 17.947 -13.783 168 H GLY 26 H GLY 26 -25.317 17.019 -10.625 169 HA2 GLY 26 HA2 GLY 26 -25.634 19.463 -9.396 170 HA3 GLY 26 HA3 GLY 26 -27.160 18.620 -9.140 171 H GLU 27 H GLU 27 -23.658 18.055 -8.925 172 HA GLU 27 HA GLU 27 -24.022 16.320 -6.546 173 HB2 GLU 27 HB2 GLU 27 -22.741 15.400 -8.506 174 HB3 GLU 27 HB3 GLU 27 -21.576 16.706 -8.329 175 HG2 GLU 27 HG2 GLU 27 -20.610 14.752 -7.334 176 HG3 GLU 27 HG3 GLU 27 -21.048 15.846 -6.023 177 HA PRO 28 HA PRO 28 -22.487 20.279 -4.709 178 HB2 PRO 28 HB2 PRO 28 -23.881 20.240 -2.397 179 HB3 PRO 28 HB3 PRO 28 -24.704 20.557 -3.939 180 HG2 PRO 28 HG2 PRO 28 -24.594 17.996 -2.363 181 HG3 PRO 28 HG3 PRO 28 -25.978 18.758 -3.179 182 HD2 PRO 28 HD2 PRO 28 -24.463 16.701 -4.289 183 HD3 PRO 28 HD3 PRO 28 -25.431 17.856 -5.231 184 HA PRO 29 HA PRO 29 -19.327 18.527 -1.809 185 HB2 PRO 29 HB2 PRO 29 -19.081 21.423 -1.034 186 HB3 PRO 29 HB3 PRO 29 -17.812 20.279 -1.517 187 HG2 PRO 29 HG2 PRO 29 -18.574 22.202 -3.192 188 HG3 PRO 29 HG3 PRO 29 -18.207 20.569 -3.797 189 HD2 PRO 29 HD2 PRO 29 -20.907 21.827 -3.302 190 HD3 PRO 29 HD3 PRO 29 -20.368 20.819 -4.667 191 H ALA 30 H ALA 30 -20.852 17.472 -0.525 192 HA ALA 30 HA ALA 30 -22.919 18.875 0.913 193 HB1 ALA 30 HB1 ALA 30 -22.245 15.910 0.881 194 HB2 ALA 30 HB2 ALA 30 -23.373 16.729 -0.204 195 HB3 ALA 30 HB3 ALA 30 -23.725 16.632 1.523 196 H LEU 31 H LEU 31 -21.558 20.162 2.258 197 HA LEU 31 HA LEU 31 -20.633 20.863 4.171 198 HB2 LEU 31 HB2 LEU 31 -21.802 18.309 5.333 199 HB3 LEU 31 HB3 LEU 31 -21.201 19.658 6.286 200 HG LEU 31 HG LEU 31 -23.638 19.691 4.449 201 HD11 LEU 31 HD11 LEU 31 -23.474 19.913 7.467 202 HD12 LEU 31 HD12 LEU 31 -24.038 18.513 6.553 203 HD13 LEU 31 HD13 LEU 31 -24.940 20.024 6.487 204 HD21 LEU 31 HD21 LEU 31 -22.512 21.863 4.335 205 HD22 LEU 31 HD22 LEU 31 -22.480 21.969 6.098 206 HD23 LEU 31 HD23 LEU 31 -24.020 21.998 5.235 207 H ILE 32 H ILE 32 -18.453 20.894 3.884 208 HA ILE 32 HA ILE 32 -16.837 18.510 3.827 209 HB ILE 32 HB ILE 32 -15.894 21.426 3.982 210 HG12 ILE 32 HG12 ILE 32 -15.287 20.994 1.484 211 HG13 ILE 32 HG13 ILE 32 -16.347 19.596 1.575 212 HG21 ILE 32 HG21 ILE 32 -14.316 18.903 3.318 213 HG22 ILE 32 HG22 ILE 32 -14.159 19.866 4.790 214 HG23 ILE 32 HG23 ILE 32 -13.692 20.552 3.233 215 HD11 ILE 32 HD11 ILE 32 -17.169 22.463 2.013 216 HD12 ILE 32 HD12 ILE 32 -18.239 21.059 2.025 217 HD13 ILE 32 HD13 ILE 32 -17.413 21.526 0.538 218 H VAL 33 H VAL 33 -17.469 17.602 5.769 219 HA VAL 33 HA VAL 33 -16.228 18.650 8.261 220 HB VAL 33 HB VAL 33 -17.978 17.401 9.537 221 HG11 VAL 33 HG11 VAL 33 -18.381 19.783 9.064 222 HG12 VAL 33 HG12 VAL 33 -19.902 18.889 9.084 223 HG13 VAL 33 HG13 VAL 33 -19.178 19.363 7.544 224 HG21 VAL 33 HG21 VAL 33 -19.983 16.475 8.384 225 HG22 VAL 33 HG22 VAL 33 -18.511 15.636 7.890 226 HG23 VAL 33 HG23 VAL 33 -19.242 16.833 6.817 227 H ASP 34 H ASP 34 -15.540 16.783 5.879 228 HA ASP 34 HA ASP 34 -14.374 14.562 7.436 229 HB2 ASP 34 HB2 ASP 34 -15.094 12.977 5.657 230 HB3 ASP 34 HB3 ASP 34 -16.473 13.741 6.436 231 HA PRO 35 HA PRO 35 -11.765 16.634 3.875 232 HB2 PRO 35 HB2 PRO 35 -10.091 18.374 5.136 233 HB3 PRO 35 HB3 PRO 35 -11.767 18.823 4.749 234 HG2 PRO 35 HG2 PRO 35 -10.645 17.844 7.365 235 HG3 PRO 35 HG3 PRO 35 -11.732 19.219 7.060 236 HD2 PRO 35 HD2 PRO 35 -12.659 16.794 7.908 237 HD3 PRO 35 HD3 PRO 35 -13.614 17.871 6.870 238 H LEU 36 H LEU 36 -10.906 15.052 6.846 239 HA LEU 36 HA LEU 36 -8.568 13.807 5.547 240 HB2 LEU 36 HB2 LEU 36 -7.973 15.720 7.253 241 HB3 LEU 36 HB3 LEU 36 -8.449 14.577 8.490 242 HG LEU 36 HG LEU 36 -6.210 14.063 6.476 243 HD11 LEU 36 HD11 LEU 36 -4.622 14.586 8.271 244 HD12 LEU 36 HD12 LEU 36 -5.959 15.049 9.331 245 HD13 LEU 36 HD13 LEU 36 -5.625 15.977 7.866 246 HD21 LEU 36 HD21 LEU 36 -6.890 12.587 9.046 247 HD22 LEU 36 HD22 LEU 36 -5.481 12.277 8.023 248 HD23 LEU 36 HD23 LEU 36 -7.102 11.977 7.401 249 H MET 37 H MET 37 -10.380 12.351 5.158 250 HA MET 37 HA MET 37 -10.084 9.991 6.630 251 HB2 MET 37 HB2 MET 37 -12.285 9.608 7.619 252 HB3 MET 37 HB3 MET 37 -11.650 11.105 8.281 253 HG2 MET 37 HG2 MET 37 -13.075 12.348 6.619 254 HG3 MET 37 HG3 MET 37 -13.802 10.804 6.175 255 HE1 MET 37 HE1 MET 37 -13.385 13.543 8.942 256 HE2 MET 37 HE2 MET 37 -12.675 12.144 9.752 257 HE3 MET 37 HE3 MET 37 -14.209 12.805 10.316 258 H LYS 38 H LYS 38 -12.250 8.503 5.892 259 HA LYS 38 HA LYS 38 -12.947 7.214 4.173 260 HB2 LYS 38 HB2 LYS 38 -13.361 9.918 2.842 261 HB3 LYS 38 HB3 LYS 38 -14.002 8.400 2.220 262 HG2 LYS 38 HG2 LYS 38 -15.438 8.151 4.158 263 HG3 LYS 38 HG3 LYS 38 -14.715 9.560 4.939 264 HD2 LYS 38 HD2 LYS 38 -16.954 10.025 3.918 265 HD3 LYS 38 HD3 LYS 38 -15.666 11.043 3.270 266 HE2 LYS 38 HE2 LYS 38 -17.232 10.189 1.517 267 HE3 LYS 38 HE3 LYS 38 -15.561 9.704 1.237 268 HZ1 LYS 38 HZ1 LYS 38 -17.137 7.904 0.869 269 HZ2 LYS 38 HZ2 LYS 38 -17.651 8.001 2.476 270 HZ3 LYS 38 HZ3 LYS 38 -16.064 7.533 2.123 271 H TYR 39 H TYR 39 -10.738 6.497 4.142 272 HA TYR 39 HA TYR 39 -8.639 7.898 2.972 273 HB2 TYR 39 HB2 TYR 39 -8.853 4.973 3.771 274 HB3 TYR 39 HB3 TYR 39 -7.348 5.719 3.238 275 HD1 TYR 39 HD2 TYR 39 -7.185 8.274 4.505 276 HD2 TYR 39 HD1 TYR 39 -8.801 4.656 6.135 277 HE1 TYR 39 HE2 TYR 39 -6.721 9.092 6.774 278 HE2 TYR 39 HE1 TYR 39 -8.335 5.479 8.409 279 HH TYR 39 HH TYR 39 -6.788 7.098 9.505 280 H ILE 40 H ILE 40 -8.759 8.483 0.935 281 HA ILE 40 HA ILE 40 -9.549 6.846 -1.272 282 HB ILE 40 HB ILE 40 -8.081 9.530 -1.166 283 HG12 ILE 40 HG12 ILE 40 -11.019 8.888 -1.691 284 HG13 ILE 40 HG13 ILE 40 -10.371 9.613 -0.226 285 HG21 ILE 40 HG21 ILE 40 -8.623 9.814 -3.555 286 HG22 ILE 40 HG22 ILE 40 -9.317 8.190 -3.601 287 HG23 ILE 40 HG23 ILE 40 -7.590 8.404 -3.304 288 HD11 ILE 40 HD11 ILE 40 -10.433 10.866 -2.973 289 HD12 ILE 40 HD12 ILE 40 -9.698 11.590 -1.540 290 HD13 ILE 40 HD13 ILE 40 -11.434 11.287 -1.581 291 H CYS 41 H CYS 41 -8.292 5.499 -2.471 292 HA CYS 41 HA CYS 41 -5.572 4.944 -1.783 293 HB2 CYS 41 HB2 CYS 41 -7.089 3.188 -2.638 294 HB3 CYS 41 HB3 CYS 41 -7.198 4.022 -4.187 295 H HIS 42 H HIS 42 -3.736 5.767 -2.711 296 HA HIS 42 HA HIS 42 -3.992 8.168 -4.257 297 HB2 HIS 42 HB2 HIS 42 -2.320 7.824 -2.385 298 HB3 HIS 42 HB3 HIS 42 -1.416 6.757 -3.453 299 HD1 HIS 42 HD1 HIS 42 0.580 8.033 -4.234 300 HD2 HIS 42 HD2 HIS 42 -2.810 10.431 -4.088 301 HE1 HIS 42 HE1 HIS 42 1.283 10.271 -5.124 302 HE2 HIS 42 HE2 HIS 42 -0.813 11.645 -5.168 303 H ILE 43 H ILE 43 -3.838 4.933 -5.141 304 HA ILE 43 HA ILE 43 -2.711 5.518 -7.825 305 HB ILE 43 HB ILE 43 -2.761 2.898 -6.246 306 HG12 ILE 43 HG12 ILE 43 -0.479 4.646 -7.270 307 HG13 ILE 43 HG13 ILE 43 -0.963 4.446 -5.592 308 HG21 ILE 43 HG21 ILE 43 -1.670 1.797 -8.167 309 HG22 ILE 43 HG22 ILE 43 -1.820 3.278 -9.117 310 HG23 ILE 43 HG23 ILE 43 -3.266 2.400 -8.620 311 HD11 ILE 43 HD11 ILE 43 0.288 2.350 -7.366 312 HD12 ILE 43 HD12 ILE 43 -0.261 2.088 -5.706 313 HD13 ILE 43 HD13 ILE 43 1.045 3.223 -6.034 314 H CYS 44 H CYS 44 -5.313 3.857 -6.036 315 HA CYS 44 HA CYS 44 -6.674 3.076 -8.524 316 HB2 CYS 44 HB2 CYS 44 -7.333 2.339 -5.639 317 HB3 CYS 44 HB3 CYS 44 -7.953 1.567 -7.108 318 H ASN 45 H ASN 45 -6.951 5.327 -5.898 319 HA ASN 45 HA ASN 45 -8.379 6.903 -5.228 320 HB2 ASN 45 HB2 ASN 45 -8.816 7.646 -7.502 321 HB3 ASN 45 HB3 ASN 45 -9.957 6.333 -7.764 322 HD21 ASN 45 HD21 ASN 45 -9.434 9.352 -6.034 323 HD22 ASN 45 HD22 ASN 45 -11.102 9.689 -5.725 324 H ARG 46 H ARG 46 -10.150 4.027 -6.382 325 HA ARG 46 HA ARG 46 -12.197 4.394 -4.317 326 HB2 ARG 46 HB2 ARG 46 -12.051 2.431 -6.643 327 HB3 ARG 46 HB3 ARG 46 -13.415 2.594 -5.535 328 HG2 ARG 46 HG2 ARG 46 -13.785 4.910 -6.313 329 HG3 ARG 46 HG3 ARG 46 -12.391 4.778 -7.388 330 HD2 ARG 46 HD2 ARG 46 -13.536 2.962 -8.624 331 HD3 ARG 46 HD3 ARG 46 -14.940 3.145 -7.568 332 HE ARG 46 HE ARG 46 -15.304 5.330 -8.483 333 HH11 ARG 46 HH11 ARG 46 -12.991 3.396 -10.297 334 HH12 ARG 46 HH12 ARG 46 -13.171 4.328 -11.747 335 HH21 ARG 46 HH21 ARG 46 -15.494 6.567 -10.389 336 HH22 ARG 46 HH22 ARG 46 -14.581 6.121 -11.794 337 H GLY 47 H GLY 47 -11.861 3.462 -2.412 338 HA2 GLY 47 HA2 GLY 47 -10.086 1.153 -2.069 339 HA3 GLY 47 HA3 GLY 47 -10.767 2.171 -0.808 340 H ASP 48 H ASP 48 -11.686 -0.177 -3.289 341 HA ASP 48 HA ASP 48 -14.233 -0.869 -2.236 342 HB2 ASP 48 HB2 ASP 48 -12.423 -2.604 -3.987 343 HB3 ASP 48 HB3 ASP 48 -14.168 -2.769 -3.795 344 H VAL 49 H VAL 49 -11.208 -2.744 -2.287 345 HA VAL 49 HA VAL 49 -11.907 -4.238 0.115 346 HB VAL 49 HB VAL 49 -9.336 -4.362 -1.531 347 HG11 VAL 49 HG11 VAL 49 -10.491 -6.334 0.487 348 HG12 VAL 49 HG12 VAL 49 -9.080 -5.301 0.738 349 HG13 VAL 49 HG13 VAL 49 -9.027 -6.585 -0.472 350 HG21 VAL 49 HG21 VAL 49 -10.290 -6.342 -2.651 351 HG22 VAL 49 HG22 VAL 49 -11.284 -4.913 -2.948 352 HG23 VAL 49 HG23 VAL 49 -11.808 -6.120 -1.772 353 H GLU 50 H GLU 50 -11.996 -2.418 1.529 354 HA GLU 50 HA GLU 50 -9.740 -0.757 2.118 355 HB2 GLU 50 HB2 GLU 50 -11.018 -0.021 4.085 356 HB3 GLU 50 HB3 GLU 50 -12.045 -0.041 2.653 357 HG2 GLU 50 HG2 GLU 50 -13.067 -2.158 3.390 358 HG3 GLU 50 HG3 GLU 50 -12.014 -2.194 4.807 359 H GLU 51 H GLU 51 -10.592 -3.968 2.888 360 HA GLU 51 HA GLU 51 -9.289 -4.427 5.325 361 HB2 GLU 51 HB2 GLU 51 -9.557 -6.450 3.048 362 HB3 GLU 51 HB3 GLU 51 -9.348 -6.803 4.755 363 HG2 GLU 51 HG2 GLU 51 -11.603 -7.235 4.505 364 HG3 GLU 51 HG3 GLU 51 -11.652 -5.556 5.027 365 H SER 52 H SER 52 -8.059 -4.274 2.008 366 HA SER 52 HA SER 52 -5.378 -5.206 2.798 367 HB2 SER 52 HB2 SER 52 -6.566 -4.638 0.045 368 HB3 SER 52 HB3 SER 52 -4.966 -5.321 0.352 369 HG SER 52 HG SER 52 -5.838 -7.181 0.892 370 H MET 53 H MET 53 -6.992 -2.359 2.880 371 HA MET 53 HA MET 53 -5.141 -0.618 1.496 372 HB2 MET 53 HB2 MET 53 -7.561 -0.056 1.654 373 HB3 MET 53 HB3 MET 53 -7.405 0.099 3.399 374 HG2 MET 53 HG2 MET 53 -5.770 1.956 3.046 375 HG3 MET 53 HG3 MET 53 -6.057 1.832 1.310 376 HE1 MET 53 HE1 MET 53 -9.842 2.869 1.091 377 HE2 MET 53 HE2 MET 53 -9.292 1.213 1.353 378 HE3 MET 53 HE3 MET 53 -8.449 2.256 0.202 379 H LEU 54 H LEU 54 -3.221 -0.498 2.348 380 HA LEU 54 HA LEU 54 -2.586 -0.370 5.173 381 HB2 LEU 54 HB2 LEU 54 -0.792 -0.039 2.733 382 HB3 LEU 54 HB3 LEU 54 -0.279 -0.419 4.373 383 HG LEU 54 HG LEU 54 -2.000 -2.284 2.682 384 HD11 LEU 54 HD11 LEU 54 1.003 -2.329 3.052 385 HD12 LEU 54 HD12 LEU 54 0.120 -2.006 1.559 386 HD13 LEU 54 HD13 LEU 54 0.040 -3.605 2.292 387 HD21 LEU 54 HD21 LEU 54 -2.221 -2.647 5.094 388 HD22 LEU 54 HD22 LEU 54 -0.467 -2.761 5.265 389 HD23 LEU 54 HD23 LEU 54 -1.353 -3.988 4.352 390 H LEU 55 H LEU 55 -2.044 1.493 6.243 391 HA LEU 55 HA LEU 55 -2.441 4.054 4.847 392 HB2 LEU 55 HB2 LEU 55 -3.223 3.025 7.510 393 HB3 LEU 55 HB3 LEU 55 -2.440 4.586 7.629 394 HG LEU 55 HG LEU 55 -4.860 4.859 7.488 395 HD11 LEU 55 HD11 LEU 55 -3.434 6.616 6.534 396 HD12 LEU 55 HD12 LEU 55 -4.945 6.483 5.638 397 HD13 LEU 55 HD13 LEU 55 -3.458 5.815 4.957 398 HD21 LEU 55 HD21 LEU 55 -6.134 4.236 5.480 399 HD22 LEU 55 HD22 LEU 55 -5.440 2.813 6.253 400 HD23 LEU 55 HD23 LEU 55 -4.704 3.466 4.784 401 H CYS 56 H CYS 56 -0.699 5.297 4.421 402 HA CYS 56 HA CYS 56 1.869 4.756 5.560 403 HB2 CYS 56 HB2 CYS 56 1.642 5.576 3.217 404 HB3 CYS 56 HB3 CYS 56 0.996 7.097 3.819 405 H ASP 57 H ASP 57 2.213 5.235 7.591 406 HA ASP 57 HA ASP 57 0.846 6.990 9.262 407 HB2 ASP 57 HB2 ASP 57 3.764 6.141 9.544 408 HB3 ASP 57 HB3 ASP 57 2.705 6.689 10.843 409 H GLY 58 H GLY 58 3.853 7.536 7.467 410 HA2 GLY 58 HA2 GLY 58 3.945 10.380 8.238 411 HA3 GLY 58 HA3 GLY 58 5.262 9.446 7.552 412 H CYS 59 H CYS 59 1.935 9.615 6.352 413 HA CYS 59 HA CYS 59 2.443 11.743 4.455 414 HB2 CYS 59 HB2 CYS 59 1.908 8.918 3.456 415 HB3 CYS 59 HB3 CYS 59 1.622 10.333 2.474 416 H ASP 60 H ASP 60 0.224 11.566 2.898 417 HA ASP 60 HA ASP 60 -2.103 11.436 4.729 418 HB2 ASP 60 HB2 ASP 60 -1.893 12.882 2.041 419 HB3 ASP 60 HB3 ASP 60 -3.199 13.032 3.215 420 H ASP 61 H ASP 61 -0.598 9.414 2.822 421 HA ASP 61 HA ASP 61 -2.559 8.943 0.699 422 HB2 ASP 61 HB2 ASP 61 0.302 7.909 1.019 423 HB3 ASP 61 HB3 ASP 61 -0.731 7.668 -0.388 424 H SER 62 H SER 62 -3.375 6.916 0.270 425 HA SER 62 HA SER 62 -2.837 4.689 2.142 426 HB2 SER 62 HB2 SER 62 -5.535 5.437 0.931 427 HB3 SER 62 HB3 SER 62 -5.219 4.046 1.972 428 HG SER 62 HG SER 62 -4.296 6.156 3.233 429 H TYR 63 H TYR 63 -2.340 2.813 1.135 430 HA TYR 63 HA TYR 63 -2.811 2.489 -1.784 431 HB2 TYR 63 HB2 TYR 63 -0.317 1.669 -0.208 432 HB3 TYR 63 HB3 TYR 63 -0.627 1.229 -1.883 433 HD1 TYR 63 HD1 TYR 63 -0.089 4.203 0.352 434 HD2 TYR 63 HD2 TYR 63 0.099 2.665 -3.631 435 HE1 TYR 63 HE1 TYR 63 0.985 6.272 -0.394 436 HE2 TYR 63 HE2 TYR 63 1.169 4.755 -4.371 437 HH TYR 63 HH TYR 63 2.303 7.140 -2.150 438 H HIS 64 H HIS 64 -3.298 0.321 -2.379 439 HA HIS 64 HA HIS 64 -4.042 -1.510 -0.208 440 HB2 HIS 64 HB2 HIS 64 -4.355 -1.870 -3.226 441 HB3 HIS 64 HB3 HIS 64 -5.037 -2.920 -1.991 442 HD2 HIS 64 HD2 HIS 64 -6.897 -1.434 -0.244 443 HE1 HIS 64 HE1 HIS 64 -8.011 1.080 -3.441 444 HE2 HIS 64 HE2 HIS 64 -8.711 0.122 -1.203 445 H THR 65 H THR 65 -3.263 -3.756 -0.329 446 HA THR 65 HA THR 65 -0.467 -4.051 -0.496 447 HB THR 65 HB THR 65 -0.969 -6.534 -0.366 448 HG1 THR 65 HG1 THR 65 -2.855 -7.109 -1.072 449 HG21 THR 65 HG21 THR 65 -2.045 -6.483 1.860 450 HG22 THR 65 HG22 THR 65 -2.539 -4.811 1.590 451 HG23 THR 65 HG23 THR 65 -0.826 -5.213 1.723 452 H PHE 66 H PHE 66 -3.047 -4.564 -2.809 453 HA PHE 66 HA PHE 66 -1.171 -5.477 -4.897 454 HB2 PHE 66 HB2 PHE 66 -3.172 -6.361 -6.062 455 HB3 PHE 66 HB3 PHE 66 -2.987 -7.053 -4.463 456 HD1 PHE 66 HD1 PHE 66 -4.460 -6.072 -2.547 457 HD2 PHE 66 HD2 PHE 66 -5.261 -5.390 -6.703 458 HE1 PHE 66 HE1 PHE 66 -6.789 -5.495 -2.014 459 HE2 PHE 66 HE2 PHE 66 -7.583 -4.805 -6.147 460 HZ PHE 66 HZ PHE 66 -8.350 -4.855 -3.806 461 H CYS 67 H CYS 67 -1.486 -2.604 -4.065 462 HA CYS 67 HA CYS 67 -2.443 -1.386 -6.584 463 HB2 CYS 67 HB2 CYS 67 -1.580 -0.212 -3.914 464 HB3 CYS 67 HB3 CYS 67 -1.704 0.783 -5.354 465 H LEU 68 H LEU 68 0.288 -2.913 -5.572 466 HA LEU 68 HA LEU 68 2.219 -0.965 -6.712 467 HB2 LEU 68 HB2 LEU 68 2.599 -3.088 -4.559 468 HB3 LEU 68 HB3 LEU 68 3.903 -2.127 -5.240 469 HG LEU 68 HG LEU 68 1.563 -1.022 -3.609 470 HD11 LEU 68 HD11 LEU 68 3.239 -0.593 -1.874 471 HD12 LEU 68 HD12 LEU 68 4.479 -1.379 -2.853 472 HD13 LEU 68 HD13 LEU 68 3.111 -2.311 -2.236 473 HD21 LEU 68 HD21 LEU 68 2.766 1.124 -3.644 474 HD22 LEU 68 HD22 LEU 68 2.329 0.619 -5.272 475 HD23 LEU 68 HD23 LEU 68 3.995 0.439 -4.715 476 H LEU 69 H LEU 69 4.101 -1.908 -7.770 477 HA LEU 69 HA LEU 69 3.737 -4.616 -8.913 478 HB2 LEU 69 HB2 LEU 69 4.661 -2.145 -10.440 479 HB3 LEU 69 HB3 LEU 69 4.682 -3.786 -11.068 480 HG LEU 69 HG LEU 69 2.205 -2.152 -10.391 481 HD11 LEU 69 HD11 LEU 69 1.759 -2.238 -12.786 482 HD12 LEU 69 HD12 LEU 69 3.265 -3.125 -13.052 483 HD13 LEU 69 HD13 LEU 69 3.304 -1.462 -12.457 484 HD21 LEU 69 HD21 LEU 69 2.365 -4.998 -11.440 485 HD22 LEU 69 HD22 LEU 69 0.892 -4.036 -11.283 486 HD23 LEU 69 HD23 LEU 69 1.794 -4.500 -9.845 487 HA PRO 70 HA PRO 70 4.562 -6.412 -8.659 488 HB2 PRO 70 HB2 PRO 70 5.866 -8.220 -7.061 489 HB3 PRO 70 HB3 PRO 70 6.380 -7.906 -8.733 490 HG2 PRO 70 HG2 PRO 70 7.529 -6.790 -6.180 491 HG3 PRO 70 HG3 PRO 70 8.379 -7.464 -7.592 492 HD2 PRO 70 HD2 PRO 70 8.078 -4.774 -7.234 493 HD3 PRO 70 HD3 PRO 70 8.139 -5.517 -8.847 494 HA PRO 71 HA PRO 71 2.242 -5.242 -5.040 495 HB2 PRO 71 HB2 PRO 71 0.339 -7.208 -4.925 496 HB3 PRO 71 HB3 PRO 71 0.404 -6.040 -6.264 497 HG2 PRO 71 HG2 PRO 71 1.496 -8.850 -6.185 498 HG3 PRO 71 HG3 PRO 71 0.495 -8.078 -7.439 499 HD2 PRO 71 HD2 PRO 71 3.180 -8.270 -7.701 500 HD3 PRO 71 HD3 PRO 71 2.289 -6.861 -8.320 501 H LEU 72 H LEU 72 1.984 -5.593 -2.847 502 HA LEU 72 HA LEU 72 3.609 -7.531 -1.497 503 HB2 LEU 72 HB2 LEU 72 1.443 -5.742 -0.309 504 HB3 LEU 72 HB3 LEU 72 2.763 -6.519 0.555 505 HG LEU 72 HG LEU 72 3.049 -4.257 -1.468 506 HD11 LEU 72 HD11 LEU 72 2.059 -3.471 0.610 507 HD12 LEU 72 HD12 LEU 72 3.702 -2.861 0.438 508 HD13 LEU 72 HD13 LEU 72 3.370 -4.198 1.546 509 HD21 LEU 72 HD21 LEU 72 5.015 -5.708 -1.549 510 HD22 LEU 72 HD22 LEU 72 5.203 -5.600 0.205 511 HD23 LEU 72 HD23 LEU 72 5.421 -4.165 -0.804 512 H THR 73 H THR 73 2.821 -9.509 -2.262 513 HA THR 73 HA THR 73 0.126 -10.400 -2.202 514 HB THR 73 HB THR 73 1.133 -12.694 -2.517 515 HG1 THR 73 HG1 THR 73 3.115 -12.985 -1.880 516 HG21 THR 73 HG21 THR 73 2.396 -10.537 -4.266 517 HG22 THR 73 HG22 THR 73 0.793 -11.240 -4.500 518 HG23 THR 73 HG23 THR 73 2.230 -12.245 -4.689 519 H SER 74 H SER 74 2.656 -10.310 0.187 520 HA SER 74 HA SER 74 0.869 -11.436 2.258 521 HB2 SER 74 HB2 SER 74 3.831 -10.722 2.414 522 HB3 SER 74 HB3 SER 74 2.868 -11.433 3.712 523 HG SER 74 HG SER 74 4.150 -12.678 1.766 524 H ILE 75 H ILE 75 -0.111 -10.060 3.604 525 HA ILE 75 HA ILE 75 0.123 -7.215 3.428 526 HB ILE 75 HB ILE 75 -1.276 -8.868 5.589 527 HG12 ILE 75 HG12 ILE 75 -2.429 -7.718 3.001 528 HG13 ILE 75 HG13 ILE 75 -2.097 -9.421 3.302 529 HG21 ILE 75 HG21 ILE 75 -1.689 -5.944 4.817 530 HG22 ILE 75 HG22 ILE 75 -0.910 -6.525 6.290 531 HG23 ILE 75 HG23 ILE 75 -2.625 -6.835 6.022 532 HD11 ILE 75 HD11 ILE 75 -4.135 -7.731 4.752 533 HD12 ILE 75 HD12 ILE 75 -3.785 -9.432 5.075 534 HD13 ILE 75 HD13 ILE 75 -4.451 -8.948 3.517 535 HA PRO 76 HA PRO 76 3.673 -6.885 6.294 536 HB2 PRO 76 HB2 PRO 76 3.653 -4.130 6.567 537 HB3 PRO 76 HB3 PRO 76 4.272 -4.957 5.120 538 HG2 PRO 76 HG2 PRO 76 1.553 -3.746 5.570 539 HG3 PRO 76 HG3 PRO 76 2.653 -3.551 4.183 540 HD2 PRO 76 HD2 PRO 76 0.602 -5.268 4.054 541 HD3 PRO 76 HD3 PRO 76 2.172 -5.681 3.323 542 H LYS 77 H LYS 77 3.869 -4.943 8.280 543 HA LYS 77 HA LYS 77 2.345 -6.324 10.349 544 HB2 LYS 77 HB2 LYS 77 4.613 -4.295 10.510 545 HB3 LYS 77 HB3 LYS 77 3.897 -5.095 11.907 546 HG2 LYS 77 HG2 LYS 77 4.712 -7.251 11.190 547 HG3 LYS 77 HG3 LYS 77 5.229 -6.605 9.631 548 HD2 LYS 77 HD2 LYS 77 6.411 -5.784 12.324 549 HD3 LYS 77 HD3 LYS 77 7.121 -6.987 11.243 550 HE2 LYS 77 HE2 LYS 77 7.316 -5.223 9.479 551 HE3 LYS 77 HE3 LYS 77 6.714 -4.036 10.636 552 HZ1 LYS 77 HZ1 LYS 77 9.111 -4.005 10.490 553 HZ2 LYS 77 HZ2 LYS 77 9.197 -5.636 10.923 554 HZ3 LYS 77 HZ3 LYS 77 8.627 -4.494 12.030 555 H GLY 78 H GLY 78 0.254 -5.389 9.777 556 HA2 GLY 78 HA2 GLY 78 -1.525 -4.021 10.239 557 HA3 GLY 78 HA3 GLY 78 -0.514 -3.174 11.405 558 H GLU 79 H GLU 79 0.081 -1.131 10.908 559 HA GLU 79 HA GLU 79 -0.636 0.103 8.404 560 HB2 GLU 79 HB2 GLU 79 0.857 1.176 10.836 561 HB3 GLU 79 HB3 GLU 79 0.486 2.155 9.423 562 HG2 GLU 79 HG2 GLU 79 -1.115 2.617 11.191 563 HG3 GLU 79 HG3 GLU 79 -1.929 1.848 9.832 564 H TRP 80 H TRP 80 0.936 1.295 7.104 565 HA TRP 80 HA TRP 80 3.644 0.171 6.929 566 HB2 TRP 80 HB2 TRP 80 2.438 -1.553 5.790 567 HB3 TRP 80 HB3 TRP 80 1.361 -0.409 5.008 568 HD1 TRP 80 HD1 TRP 80 4.916 -1.901 4.641 569 HE1 TRP 80 HE1 TRP 80 5.674 -1.515 2.210 570 HE3 TRP 80 HE3 TRP 80 1.096 1.092 3.071 571 HZ2 TRP 80 HZ2 TRP 80 4.754 -0.118 -0.077 572 HZ3 TRP 80 HZ3 TRP 80 1.098 1.908 0.759 573 HH2 TRP 80 HH2 TRP 80 2.889 1.317 -0.782 574 H LEU 81 H LEU 81 5.026 1.666 6.143 575 HA LEU 81 HA LEU 81 4.135 4.266 5.289 576 HB2 LEU 81 HB2 LEU 81 6.904 3.015 5.443 577 HB3 LEU 81 HB3 LEU 81 6.618 4.690 4.983 578 HG LEU 81 HG LEU 81 5.993 3.457 7.697 579 HD11 LEU 81 HD11 LEU 81 7.779 4.902 8.541 580 HD12 LEU 81 HD12 LEU 81 8.126 5.455 6.899 581 HD13 LEU 81 HD13 LEU 81 8.386 3.764 7.340 582 HD21 LEU 81 HD21 LEU 81 5.645 6.321 6.753 583 HD22 LEU 81 HD22 LEU 81 5.429 5.741 8.409 584 HD23 LEU 81 HD23 LEU 81 4.349 5.180 7.136 585 H CYS 82 H CYS 82 3.897 4.976 3.263 586 HA CYS 82 HA CYS 82 3.868 3.447 0.948 587 HB2 CYS 82 HB2 CYS 82 3.788 5.632 -0.270 588 HB3 CYS 82 HB3 CYS 82 2.702 5.613 1.116 589 HA PRO 83 HA PRO 83 8.108 2.794 -0.273 590 HB2 PRO 83 HB2 PRO 83 7.408 3.576 -3.096 591 HB3 PRO 83 HB3 PRO 83 8.064 2.043 -2.479 592 HG2 PRO 83 HG2 PRO 83 5.520 2.160 -3.242 593 HG3 PRO 83 HG3 PRO 83 5.980 1.254 -1.779 594 HD2 PRO 83 HD2 PRO 83 4.773 4.019 -1.969 595 HD3 PRO 83 HD3 PRO 83 4.337 2.669 -0.895 596 H ARG 84 H ARG 84 6.575 5.742 -1.246 597 HA ARG 84 HA ARG 84 8.749 7.305 -2.113 598 HB2 ARG 84 HB2 ARG 84 6.178 8.260 -0.780 599 HB3 ARG 84 HB3 ARG 84 7.211 9.199 -1.864 600 HG2 ARG 84 HG2 ARG 84 6.639 7.718 -3.736 601 HG3 ARG 84 HG3 ARG 84 5.701 6.681 -2.660 602 HD2 ARG 84 HD2 ARG 84 4.183 8.659 -2.229 603 HD3 ARG 84 HD3 ARG 84 5.056 9.528 -3.500 604 HE ARG 84 HE ARG 84 3.701 6.942 -3.986 605 HH11 ARG 84 HH11 ARG 84 4.232 10.283 -4.989 606 HH12 ARG 84 HH12 ARG 84 3.282 10.097 -6.433 607 HH21 ARG 84 HH21 ARG 84 2.464 6.747 -5.839 608 HH22 ARG 84 HH22 ARG 84 2.281 8.101 -6.913 609 H CYS 85 H CYS 85 7.332 6.798 1.126 610 HA CYS 85 HA CYS 85 8.987 8.604 2.590 611 HB2 CYS 85 HB2 CYS 85 7.507 6.120 3.535 612 HB3 CYS 85 HB3 CYS 85 8.251 7.307 4.586 613 H VAL 86 H VAL 86 9.323 5.250 1.526 614 HA VAL 86 HA VAL 86 11.526 4.564 3.251 615 HB VAL 86 HB VAL 86 10.501 3.118 0.764 616 HG11 VAL 86 HG11 VAL 86 12.754 2.351 1.396 617 HG12 VAL 86 HG12 VAL 86 11.561 1.089 1.714 618 HG13 VAL 86 HG13 VAL 86 12.203 2.055 3.045 619 HG21 VAL 86 HG21 VAL 86 8.693 3.389 2.411 620 HG22 VAL 86 HG22 VAL 86 9.720 2.720 3.680 621 HG23 VAL 86 HG23 VAL 86 9.192 1.695 2.344 622 H VAL 87 H VAL 87 11.206 5.702 -0.106 623 HA VAL 87 HA VAL 87 13.886 5.425 -0.973 624 HB VAL 87 HB VAL 87 11.788 7.477 -1.834 625 HG11 VAL 87 HG11 VAL 87 14.038 8.271 -2.491 626 HG12 VAL 87 HG12 VAL 87 13.110 7.783 -3.910 627 HG13 VAL 87 HG13 VAL 87 14.367 6.720 -3.273 628 HG21 VAL 87 HG21 VAL 87 11.385 5.984 -3.757 629 HG22 VAL 87 HG22 VAL 87 11.083 5.150 -2.234 630 HG23 VAL 87 HG23 VAL 87 12.571 4.839 -3.125 631 H GLU 88 H GLU 88 12.212 7.940 0.821 632 HA GLU 88 HA GLU 88 14.522 9.700 1.009 633 HB2 GLU 88 HB2 GLU 88 11.761 9.820 2.294 634 HB3 GLU 88 HB3 GLU 88 12.987 11.082 2.425 635 HG2 GLU 88 HG2 GLU 88 12.904 11.402 -0.033 636 HG3 GLU 88 HG3 GLU 88 11.664 10.154 -0.147 637 H GLU 89 H GLU 89 15.719 10.085 2.851 638 HA GLU 89 HA GLU 89 15.978 8.028 4.833 639 HB2 GLU 89 HB2 GLU 89 17.246 10.798 4.691 640 HB3 GLU 89 HB3 GLU 89 17.718 9.523 5.816 641 HG2 GLU 89 HG2 GLU 89 18.303 8.091 3.819 642 HG3 GLU 89 HG3 GLU 89 18.005 9.498 2.795 643 H VAL 90 H VAL 90 16.267 8.921 7.238 644 HA VAL 90 HA VAL 90 15.063 8.991 9.135 645 HB VAL 90 HB VAL 90 13.743 11.484 7.966 646 HG11 VAL 90 HG11 VAL 90 12.595 10.685 9.991 647 HG12 VAL 90 HG12 VAL 90 13.446 12.192 10.331 648 HG13 VAL 90 HG13 VAL 90 14.128 10.655 10.869 649 HG21 VAL 90 HG21 VAL 90 15.528 12.789 9.087 650 HG22 VAL 90 HG22 VAL 90 16.185 11.715 7.846 651 HG23 VAL 90 HG23 VAL 90 16.327 11.286 9.553 652 H SER 91 H SER 91 14.053 7.020 8.463 653 HA SER 91 HA SER 91 11.148 7.124 8.251 654 HB2 SER 91 HB2 SER 91 11.933 7.329 5.866 655 HB3 SER 91 HB3 SER 91 12.774 5.787 6.030 656 HG SER 91 HG SER 91 10.387 6.057 5.214 657 H LYS 92 H LYS 92 10.350 4.752 7.994 658 HA LYS 92 HA LYS 92 11.991 2.929 9.659 659 HB2 LYS 92 HB2 LYS 92 10.029 3.742 10.912 660 HB3 LYS 92 HB3 LYS 92 8.962 3.257 9.600 661 HG2 LYS 92 HG2 LYS 92 9.573 0.873 10.015 662 HG3 LYS 92 HG3 LYS 92 10.589 1.390 11.363 663 HD2 LYS 92 HD2 LYS 92 8.435 0.597 12.209 664 HD3 LYS 92 HD3 LYS 92 8.587 2.333 12.496 665 HE2 LYS 92 HE2 LYS 92 7.200 2.717 10.409 666 HE3 LYS 92 HE3 LYS 92 6.948 0.972 10.324 667 HZ1 LYS 92 HZ1 LYS 92 5.088 1.966 11.402 668 HZ2 LYS 92 HZ2 LYS 92 6.074 2.807 12.486 669 HZ3 LYS 92 HZ3 LYS 92 5.964 1.122 12.583 670 HA PRO 93 HA PRO 93 11.209 0.359 5.930 671 HB2 PRO 93 HB2 PRO 93 13.807 -0.161 5.270 672 HB3 PRO 93 HB3 PRO 93 13.008 1.343 4.779 673 HG2 PRO 93 HG2 PRO 93 15.115 0.944 6.818 674 HG3 PRO 93 HG3 PRO 93 14.650 2.419 5.948 675 HD2 PRO 93 HD2 PRO 93 13.872 1.610 8.635 676 HD3 PRO 93 HD3 PRO 93 13.493 3.125 7.789 677 H GLN 94 H GLN 94 12.849 -1.877 5.608 678 HA GLN 94 HA GLN 94 13.176 -3.193 8.205 679 HB2 GLN 94 HB2 GLN 94 10.824 -3.662 7.507 680 HB3 GLN 94 HB3 GLN 94 11.413 -4.362 6.000 681 HG2 GLN 94 HG2 GLN 94 12.698 -6.049 7.437 682 HG3 GLN 94 HG3 GLN 94 11.790 -5.431 8.817 683 HE21 GLN 94 HE21 GLN 94 11.600 -7.176 5.807 684 HE22 GLN 94 HE22 GLN 94 10.040 -7.870 6.061 Start of MODEL 17 1 H1 SER 1 H1 SER 1 -61.267 53.183 59.115 2 H2 SER 1 H2 SER 1 -60.584 52.902 57.595 3 H3 SER 1 H3 SER 1 -61.654 54.192 57.815 4 HA SER 1 HA SER 1 -60.134 55.301 59.261 5 HB2 SER 1 HB2 SER 1 -58.280 52.934 58.722 6 HB3 SER 1 HB3 SER 1 -57.872 54.363 59.675 7 HG SER 1 HG SER 1 -59.410 53.774 61.187 8 H HIS 2 H HIS 2 -59.162 56.991 58.216 9 HA HIS 2 HA HIS 2 -58.972 57.062 55.385 10 HB2 HIS 2 HB2 HIS 2 -59.430 59.120 56.599 11 HB3 HIS 2 HB3 HIS 2 -57.936 58.989 57.515 12 HD2 HIS 2 HD2 HIS 2 -55.708 60.088 56.313 13 HE1 HIS 2 HE1 HIS 2 -57.635 61.144 52.703 14 HE2 HIS 2 HE2 HIS 2 -55.443 61.144 53.959 15 H MET 3 H MET 3 -57.495 55.980 54.274 16 HA MET 3 HA MET 3 -54.741 55.592 55.205 17 HB2 MET 3 HB2 MET 3 -56.184 54.632 52.690 18 HB3 MET 3 HB3 MET 3 -54.541 54.195 53.137 19 HG2 MET 3 HG2 MET 3 -55.529 53.200 55.266 20 HG3 MET 3 HG3 MET 3 -57.106 53.406 54.510 21 HE1 MET 3 HE1 MET 3 -56.768 51.006 51.366 22 HE2 MET 3 HE2 MET 3 -56.409 52.733 51.384 23 HE3 MET 3 HE3 MET 3 -57.833 52.117 52.225 24 H SER 4 H SER 4 -52.985 56.013 53.524 25 HA SER 4 HA SER 4 -52.974 58.785 52.793 26 HB2 SER 4 HB2 SER 4 -50.917 56.620 52.132 27 HB3 SER 4 HB3 SER 4 -50.650 58.364 52.089 28 HG SER 4 HG SER 4 -49.953 57.966 54.049 29 H GLY 5 H GLY 5 -54.876 58.626 51.313 30 HA2 GLY 5 HA2 GLY 5 -55.815 58.687 49.227 31 HA3 GLY 5 HA3 GLY 5 -54.200 58.527 48.555 32 H GLY 6 H GLY 6 -53.302 56.369 48.395 33 HA2 GLY 6 HA2 GLY 6 -53.487 54.020 48.113 34 HA3 GLY 6 HA3 GLY 6 -55.244 54.149 48.153 35 H SER 7 H SER 7 -55.823 53.318 46.204 36 HA SER 7 HA SER 7 -55.568 54.921 43.883 37 HB2 SER 7 HB2 SER 7 -54.390 53.232 42.418 38 HB3 SER 7 HB3 SER 7 -53.343 53.926 43.654 39 HG SER 7 HG SER 7 -54.631 51.632 44.452 40 HA PRO 8 HA PRO 8 -59.336 52.503 43.113 41 HB2 PRO 8 HB2 PRO 8 -59.905 53.295 40.566 42 HB3 PRO 8 HB3 PRO 8 -60.065 54.400 41.946 43 HG2 PRO 8 HG2 PRO 8 -57.792 54.160 39.993 44 HG3 PRO 8 HG3 PRO 8 -58.628 55.625 40.559 45 HD2 PRO 8 HD2 PRO 8 -56.257 54.839 41.614 46 HD3 PRO 8 HD3 PRO 8 -57.497 55.651 42.597 47 H LEU 9 H LEU 9 -60.054 51.445 40.534 48 HA LEU 9 HA LEU 9 -57.856 49.719 39.660 49 HB2 LEU 9 HB2 LEU 9 -59.346 47.660 39.822 50 HB3 LEU 9 HB3 LEU 9 -58.739 48.301 41.335 51 HG LEU 9 HG LEU 9 -61.046 49.421 41.640 52 HD11 LEU 9 HD11 LEU 9 -61.900 47.467 39.484 53 HD12 LEU 9 HD12 LEU 9 -61.925 49.228 39.361 54 HD13 LEU 9 HD13 LEU 9 -62.972 48.414 40.521 55 HD21 LEU 9 HD21 LEU 9 -62.048 47.394 42.586 56 HD22 LEU 9 HD22 LEU 9 -60.326 47.484 42.948 57 HD23 LEU 9 HD23 LEU 9 -60.902 46.392 41.686 58 H ALA 10 H ALA 10 -58.832 48.198 37.804 59 HA ALA 10 HA ALA 10 -60.810 49.626 36.151 60 HB1 ALA 10 HB1 ALA 10 -58.031 48.821 35.172 61 HB2 ALA 10 HB2 ALA 10 -58.625 50.470 35.382 62 HB3 ALA 10 HB3 ALA 10 -59.340 49.429 34.152 63 H THR 11 H THR 11 -62.320 48.120 35.726 64 HA THR 11 HA THR 11 -61.710 45.257 35.754 65 HB THR 11 HB THR 11 -64.214 45.007 35.496 66 HG1 THR 11 HG1 THR 11 -65.245 46.716 34.797 67 HG21 THR 11 HG21 THR 11 -63.231 45.082 37.771 68 HG22 THR 11 HG22 THR 11 -64.822 45.849 37.738 69 HG23 THR 11 HG23 THR 11 -63.364 46.842 37.768 70 H GLY 12 H GLY 12 -62.599 47.812 33.505 71 HA2 GLY 12 HA2 GLY 12 -63.049 46.043 31.233 72 HA3 GLY 12 HA3 GLY 12 -63.150 47.793 31.256 73 H THR 13 H THR 13 -60.602 45.401 31.930 74 HA THR 13 HA THR 13 -59.041 46.218 29.632 75 HB THR 13 HB THR 13 -58.159 47.862 31.170 76 HG1 THR 13 HG1 THR 13 -56.403 47.215 30.144 77 HG21 THR 13 HG21 THR 13 -58.825 46.886 33.337 78 HG22 THR 13 HG22 THR 13 -57.113 47.317 33.332 79 HG23 THR 13 HG23 THR 13 -57.599 45.629 33.156 80 H THR 14 H THR 14 -58.698 44.312 28.714 81 HA THR 14 HA THR 14 -57.710 42.027 30.331 82 HB THR 14 HB THR 14 -60.022 41.506 29.784 83 HG1 THR 14 HG1 THR 14 -59.699 39.594 28.510 84 HG21 THR 14 HG21 THR 14 -60.400 43.002 27.876 85 HG22 THR 14 HG22 THR 14 -60.878 41.351 27.477 86 HG23 THR 14 HG23 THR 14 -59.355 42.001 26.863 87 H ALA 15 H ALA 15 -56.319 40.568 29.196 88 HA ALA 15 HA ALA 15 -54.404 42.010 27.601 89 HB1 ALA 15 HB1 ALA 15 -52.989 40.023 27.891 90 HB2 ALA 15 HB2 ALA 15 -54.354 39.132 28.575 91 HB3 ALA 15 HB3 ALA 15 -53.694 40.528 29.426 92 H ASN 16 H ASN 16 -55.595 42.393 25.699 93 HA ASN 16 HA ASN 16 -55.370 40.166 23.757 94 HB2 ASN 16 HB2 ASN 16 -57.437 42.412 23.789 95 HB3 ASN 16 HB3 ASN 16 -57.115 41.425 22.370 96 HD21 ASN 16 HD21 ASN 16 -57.804 39.273 22.332 97 HD22 ASN 16 HD22 ASN 16 -58.919 38.634 23.488 98 H THR 17 H THR 17 -53.983 40.524 22.149 99 HA THR 17 HA THR 17 -53.244 43.138 21.188 100 HB THR 17 HB THR 17 -51.904 42.990 23.308 101 HG1 THR 17 HG1 THR 17 -51.026 44.189 21.585 102 HG21 THR 17 HG21 THR 17 -50.499 40.643 21.984 103 HG22 THR 17 HG22 THR 17 -51.552 40.547 23.398 104 HG23 THR 17 HG23 THR 17 -50.021 41.419 23.493 105 H ARG 18 H ARG 18 -51.782 43.015 19.352 106 HA ARG 18 HA ARG 18 -51.402 40.325 18.173 107 HB2 ARG 18 HB2 ARG 18 -52.434 42.813 16.739 108 HB3 ARG 18 HB3 ARG 18 -51.815 41.400 15.898 109 HG2 ARG 18 HG2 ARG 18 -53.619 40.020 16.937 110 HG3 ARG 18 HG3 ARG 18 -54.267 41.486 17.682 111 HD2 ARG 18 HD2 ARG 18 -55.476 40.844 15.603 112 HD3 ARG 18 HD3 ARG 18 -54.741 42.443 15.484 113 HE ARG 18 HE ARG 18 -52.865 41.236 14.269 114 HH11 ARG 18 HH11 ARG 18 -56.207 40.105 14.064 115 HH12 ARG 18 HH12 ARG 18 -55.971 39.366 12.507 116 HH21 ARG 18 HH21 ARG 18 -52.594 40.257 12.252 117 HH22 ARG 18 HH22 ARG 18 -53.931 39.453 11.489 118 H GLY 19 H GLY 19 -49.268 40.184 18.647 119 HA2 GLY 19 HA2 GLY 19 -47.403 42.109 17.356 120 HA3 GLY 19 HA3 GLY 19 -47.098 41.417 18.945 121 H ALA 20 H ALA 20 -48.054 40.262 15.722 122 HA ALA 20 HA ALA 20 -46.730 37.739 15.932 123 HB1 ALA 20 HB1 ALA 20 -47.783 39.209 13.481 124 HB2 ALA 20 HB2 ALA 20 -48.677 38.057 14.478 125 HB3 ALA 20 HB3 ALA 20 -47.294 37.513 13.532 126 H SER 21 H SER 21 -44.717 37.104 15.230 127 HA SER 21 HA SER 21 -42.883 39.161 14.119 128 HB2 SER 21 HB2 SER 21 -41.090 38.187 15.529 129 HB3 SER 21 HB3 SER 21 -42.425 38.762 16.522 130 HG SER 21 HG SER 21 -43.128 36.625 16.745 131 H GLN 22 H GLN 22 -41.026 38.264 12.938 132 HA GLN 22 HA GLN 22 -41.434 35.544 11.835 133 HB2 GLN 22 HB2 GLN 22 -40.688 38.076 10.297 134 HB3 GLN 22 HB3 GLN 22 -40.511 36.458 9.632 135 HG2 GLN 22 HG2 GLN 22 -43.167 37.591 10.566 136 HG3 GLN 22 HG3 GLN 22 -42.595 37.712 8.908 137 HE21 GLN 22 HE21 GLN 22 -43.804 35.555 11.367 138 HE22 GLN 22 HE22 GLN 22 -44.132 34.220 10.325 139 H LYS 23 H LYS 23 -39.901 34.681 13.268 140 HA LYS 23 HA LYS 23 -37.115 35.606 13.059 141 HB2 LYS 23 HB2 LYS 23 -36.645 33.915 14.834 142 HB3 LYS 23 HB3 LYS 23 -37.892 35.054 15.326 143 HG2 LYS 23 HG2 LYS 23 -39.629 33.423 14.982 144 HG3 LYS 23 HG3 LYS 23 -38.505 32.293 14.229 145 HD2 LYS 23 HD2 LYS 23 -37.301 32.120 16.437 146 HD3 LYS 23 HD3 LYS 23 -38.550 33.144 17.155 147 HE2 LYS 23 HE2 LYS 23 -40.267 31.460 16.631 148 HE3 LYS 23 HE3 LYS 23 -39.065 30.458 15.818 149 HZ1 LYS 23 HZ1 LYS 23 -37.910 30.209 17.938 150 HZ2 LYS 23 HZ2 LYS 23 -39.499 29.643 18.031 151 HZ3 LYS 23 HZ3 LYS 23 -39.095 31.137 18.711 152 H LYS 24 H LYS 24 -35.730 34.681 11.647 153 HA LYS 24 HA LYS 24 -36.492 32.181 10.258 154 HB2 LYS 24 HB2 LYS 24 -34.429 34.303 9.510 155 HB3 LYS 24 HB3 LYS 24 -34.746 32.837 8.583 156 HG2 LYS 24 HG2 LYS 24 -37.111 33.591 8.265 157 HG3 LYS 24 HG3 LYS 24 -36.702 35.103 9.086 158 HD2 LYS 24 HD2 LYS 24 -35.075 35.646 7.321 159 HD3 LYS 24 HD3 LYS 24 -35.388 34.097 6.530 160 HE2 LYS 24 HE2 LYS 24 -37.769 34.815 6.186 161 HE3 LYS 24 HE3 LYS 24 -37.352 36.395 6.853 162 HZ1 LYS 24 HZ1 LYS 24 -36.114 35.182 4.433 163 HZ2 LYS 24 HZ2 LYS 24 -35.787 36.720 5.052 164 HZ3 LYS 24 HZ3 LYS 24 -37.314 36.372 4.420 165 H GLY 25 H GLY 25 -35.097 30.432 10.133 166 HA2 GLY 25 HA2 GLY 25 -33.429 29.906 12.386 167 HA3 GLY 25 HA3 GLY 25 -33.652 28.872 10.985 168 H GLY 26 H GLY 26 -32.480 29.537 8.965 169 HA2 GLY 26 HA2 GLY 26 -30.510 29.891 7.835 170 HA3 GLY 26 HA3 GLY 26 -30.259 31.267 8.904 171 H GLU 27 H GLU 27 -30.361 27.735 9.360 172 HA GLU 27 HA GLU 27 -28.114 27.900 11.263 173 HB2 GLU 27 HB2 GLU 27 -30.290 25.786 10.938 174 HB3 GLU 27 HB3 GLU 27 -29.042 25.771 12.181 175 HG2 GLU 27 HG2 GLU 27 -29.987 27.773 13.209 176 HG3 GLU 27 HG3 GLU 27 -31.145 27.935 11.894 177 HA PRO 28 HA PRO 28 -25.924 25.083 8.320 178 HB2 PRO 28 HB2 PRO 28 -23.402 25.978 8.887 179 HB3 PRO 28 HB3 PRO 28 -24.433 26.782 7.686 180 HG2 PRO 28 HG2 PRO 28 -23.858 27.586 10.508 181 HG3 PRO 28 HG3 PRO 28 -24.004 28.600 9.057 182 HD2 PRO 28 HD2 PRO 28 -26.029 28.281 10.912 183 HD3 PRO 28 HD3 PRO 28 -26.303 28.714 9.212 184 HA PRO 29 HA PRO 29 -25.417 22.425 12.058 185 HB2 PRO 29 HB2 PRO 29 -24.291 20.533 9.995 186 HB3 PRO 29 HB3 PRO 29 -25.559 20.258 11.213 187 HG2 PRO 29 HG2 PRO 29 -26.234 20.547 8.670 188 HG3 PRO 29 HG3 PRO 29 -27.213 21.315 9.942 189 HD2 PRO 29 HD2 PRO 29 -25.149 22.579 8.129 190 HD3 PRO 29 HD3 PRO 29 -26.759 23.178 8.599 191 H ALA 30 H ALA 30 -23.607 21.303 13.127 192 HA ALA 30 HA ALA 30 -21.257 22.843 13.236 193 HB1 ALA 30 HB1 ALA 30 -21.733 20.056 14.336 194 HB2 ALA 30 HB2 ALA 30 -22.121 21.575 15.148 195 HB3 ALA 30 HB3 ALA 30 -20.438 21.156 14.825 196 H LEU 31 H LEU 31 -18.983 21.769 13.168 197 HA LEU 31 HA LEU 31 -18.404 21.004 10.462 198 HB2 LEU 31 HB2 LEU 31 -16.575 21.129 12.892 199 HB3 LEU 31 HB3 LEU 31 -16.029 20.941 11.232 200 HG LEU 31 HG LEU 31 -17.399 23.388 12.417 201 HD11 LEU 31 HD11 LEU 31 -14.571 23.031 11.391 202 HD12 LEU 31 HD12 LEU 31 -15.062 23.176 13.081 203 HD13 LEU 31 HD13 LEU 31 -15.282 24.533 11.982 204 HD21 LEU 31 HD21 LEU 31 -17.059 24.490 10.238 205 HD22 LEU 31 HD22 LEU 31 -18.166 23.125 10.114 206 HD23 LEU 31 HD23 LEU 31 -16.500 22.966 9.546 207 H ILE 32 H ILE 32 -16.251 19.159 10.792 208 HA ILE 32 HA ILE 32 -15.828 16.954 10.553 209 HB ILE 32 HB ILE 32 -18.008 16.366 12.630 210 HG12 ILE 32 HG12 ILE 32 -15.057 16.959 13.175 211 HG13 ILE 32 HG13 ILE 32 -16.368 18.089 13.471 212 HG21 ILE 32 HG21 ILE 32 -17.176 14.337 11.488 213 HG22 ILE 32 HG22 ILE 32 -16.669 14.352 13.176 214 HG23 ILE 32 HG23 ILE 32 -15.517 14.766 11.906 215 HD11 ILE 32 HD11 ILE 32 -15.979 15.437 14.868 216 HD12 ILE 32 HD12 ILE 32 -17.286 16.584 15.170 217 HD13 ILE 32 HD13 ILE 32 -15.621 17.037 15.522 218 H VAL 33 H VAL 33 -17.734 18.384 8.935 219 HA VAL 33 HA VAL 33 -19.658 16.369 7.993 220 HB VAL 33 HB VAL 33 -20.355 18.229 6.345 221 HG11 VAL 33 HG11 VAL 33 -21.673 17.719 8.355 222 HG12 VAL 33 HG12 VAL 33 -21.685 19.452 8.026 223 HG13 VAL 33 HG13 VAL 33 -20.664 18.805 9.315 224 HG21 VAL 33 HG21 VAL 33 -19.755 20.560 6.902 225 HG22 VAL 33 HG22 VAL 33 -18.318 19.635 6.465 226 HG23 VAL 33 HG23 VAL 33 -18.652 19.986 8.161 227 H ASP 34 H ASP 34 -17.589 15.103 7.605 228 HA ASP 34 HA ASP 34 -16.477 15.599 4.900 229 HB2 ASP 34 HB2 ASP 34 -14.968 14.659 7.384 230 HB3 ASP 34 HB3 ASP 34 -14.296 14.666 5.761 231 HA PRO 35 HA PRO 35 -17.977 11.208 4.909 232 HB2 PRO 35 HB2 PRO 35 -19.572 11.292 2.734 233 HB3 PRO 35 HB3 PRO 35 -20.112 11.976 4.282 234 HG2 PRO 35 HG2 PRO 35 -19.048 13.401 1.869 235 HG3 PRO 35 HG3 PRO 35 -20.410 13.841 2.924 236 HD2 PRO 35 HD2 PRO 35 -17.840 14.911 3.135 237 HD3 PRO 35 HD3 PRO 35 -19.044 14.905 4.442 238 H LEU 36 H LEU 36 -16.466 13.245 2.502 239 HA LEU 36 HA LEU 36 -15.705 11.034 0.732 240 HB2 LEU 36 HB2 LEU 36 -16.680 13.161 -0.180 241 HB3 LEU 36 HB3 LEU 36 -15.283 14.033 0.422 242 HG LEU 36 HG LEU 36 -13.814 12.755 -1.134 243 HD11 LEU 36 HD11 LEU 36 -14.771 11.317 -2.862 244 HD12 LEU 36 HD12 LEU 36 -16.379 11.505 -2.158 245 HD13 LEU 36 HD13 LEU 36 -15.106 10.679 -1.254 246 HD21 LEU 36 HD21 LEU 36 -14.557 13.806 -3.226 247 HD22 LEU 36 HD22 LEU 36 -14.734 14.914 -1.867 248 HD23 LEU 36 HD23 LEU 36 -16.154 14.098 -2.531 249 H MET 37 H MET 37 -14.434 12.802 3.348 250 HA MET 37 HA MET 37 -11.624 12.605 2.678 251 HB2 MET 37 HB2 MET 37 -12.570 14.418 4.119 252 HB3 MET 37 HB3 MET 37 -12.961 13.230 5.346 253 HG2 MET 37 HG2 MET 37 -10.979 14.452 5.994 254 HG3 MET 37 HG3 MET 37 -10.542 12.781 5.661 255 HE1 MET 37 HE1 MET 37 -9.564 12.192 2.951 256 HE2 MET 37 HE2 MET 37 -8.450 12.202 4.319 257 HE3 MET 37 HE3 MET 37 -8.012 13.008 2.812 258 H LYS 38 H LYS 38 -13.836 10.251 3.509 259 HA LYS 38 HA LYS 38 -12.371 8.536 5.217 260 HB2 LYS 38 HB2 LYS 38 -14.782 8.233 4.696 261 HB3 LYS 38 HB3 LYS 38 -14.372 7.791 3.042 262 HG2 LYS 38 HG2 LYS 38 -13.290 5.756 3.780 263 HG3 LYS 38 HG3 LYS 38 -13.441 6.228 5.478 264 HD2 LYS 38 HD2 LYS 38 -15.889 6.062 5.335 265 HD3 LYS 38 HD3 LYS 38 -15.786 5.683 3.611 266 HE2 LYS 38 HE2 LYS 38 -14.661 3.979 5.854 267 HE3 LYS 38 HE3 LYS 38 -16.164 3.669 4.987 268 HZ1 LYS 38 HZ1 LYS 38 -14.847 3.458 2.929 269 HZ2 LYS 38 HZ2 LYS 38 -14.408 2.312 4.093 270 HZ3 LYS 38 HZ3 LYS 38 -13.424 3.659 3.823 271 H TYR 39 H TYR 39 -10.752 7.092 4.815 272 HA TYR 39 HA TYR 39 -8.913 7.891 2.884 273 HB2 TYR 39 HB2 TYR 39 -8.939 5.551 4.804 274 HB3 TYR 39 HB3 TYR 39 -7.585 5.834 3.714 275 HD1 TYR 39 HD1 TYR 39 -9.538 7.355 6.518 276 HD2 TYR 39 HD2 TYR 39 -5.942 7.520 4.211 277 HE1 TYR 39 HE1 TYR 39 -8.598 8.982 8.102 278 HE2 TYR 39 HE2 TYR 39 -5.007 9.147 5.794 279 HH TYR 39 HH TYR 39 -6.419 9.821 8.821 280 H ILE 40 H ILE 40 -9.253 7.658 0.821 281 HA ILE 40 HA ILE 40 -10.093 5.139 -0.444 282 HB ILE 40 HB ILE 40 -9.535 7.938 -1.546 283 HG12 ILE 40 HG12 ILE 40 -11.618 7.760 -0.229 284 HG13 ILE 40 HG13 ILE 40 -11.971 8.053 -1.924 285 HG21 ILE 40 HG21 ILE 40 -10.512 5.516 -3.103 286 HG22 ILE 40 HG22 ILE 40 -8.954 6.321 -3.289 287 HG23 ILE 40 HG23 ILE 40 -10.438 7.168 -3.720 288 HD11 ILE 40 HD11 ILE 40 -12.222 5.420 -0.465 289 HD12 ILE 40 HD12 ILE 40 -12.508 5.644 -2.193 290 HD13 ILE 40 HD13 ILE 40 -13.529 6.465 -1.015 291 H CYS 41 H CYS 41 -8.680 3.939 -1.844 292 HA CYS 41 HA CYS 41 -5.829 4.278 -1.657 293 HB2 CYS 41 HB2 CYS 41 -6.700 2.049 -1.931 294 HB3 CYS 41 HB3 CYS 41 -7.619 2.500 -3.363 295 H HIS 42 H HIS 42 -4.894 5.903 -2.634 296 HA HIS 42 HA HIS 42 -6.125 7.769 -4.281 297 HB2 HIS 42 HB2 HIS 42 -3.936 7.914 -2.833 298 HB3 HIS 42 HB3 HIS 42 -3.102 7.454 -4.314 299 HD1 HIS 42 HD1 HIS 42 -3.452 10.283 -2.522 300 HD2 HIS 42 HD2 HIS 42 -4.487 9.441 -6.457 301 HE1 HIS 42 HE1 HIS 42 -3.591 12.514 -3.680 302 HE2 HIS 42 HE2 HIS 42 -4.333 11.987 -6.025 303 H ILE 43 H ILE 43 -3.741 5.318 -5.207 304 HA ILE 43 HA ILE 43 -3.586 5.725 -7.945 305 HB ILE 43 HB ILE 43 -3.254 3.124 -6.383 306 HG12 ILE 43 HG12 ILE 43 -1.205 5.215 -7.253 307 HG13 ILE 43 HG13 ILE 43 -1.757 4.939 -5.609 308 HG21 ILE 43 HG21 ILE 43 -2.243 3.741 -9.184 309 HG22 ILE 43 HG22 ILE 43 -3.542 2.617 -8.781 310 HG23 ILE 43 HG23 ILE 43 -1.892 2.284 -8.255 311 HD11 ILE 43 HD11 ILE 43 -0.091 3.066 -7.292 312 HD12 ILE 43 HD12 ILE 43 -0.719 2.684 -5.686 313 HD13 ILE 43 HD13 ILE 43 0.428 4.007 -5.893 314 H CYS 44 H CYS 44 -6.084 3.928 -6.132 315 HA CYS 44 HA CYS 44 -7.225 2.668 -8.517 316 HB2 CYS 44 HB2 CYS 44 -8.043 2.602 -5.586 317 HB3 CYS 44 HB3 CYS 44 -8.956 1.804 -6.890 318 H ASN 45 H ASN 45 -7.780 5.478 -6.467 319 HA ASN 45 HA ASN 45 -9.415 7.042 -6.209 320 HB2 ASN 45 HB2 ASN 45 -9.057 7.329 -8.708 321 HB3 ASN 45 HB3 ASN 45 -10.395 6.213 -8.995 322 HD21 ASN 45 HD21 ASN 45 -11.806 7.589 -9.953 323 HD22 ASN 45 HD22 ASN 45 -12.466 8.997 -9.200 324 H ARG 46 H ARG 46 -9.871 4.003 -5.708 325 HA ARG 46 HA ARG 46 -12.754 4.086 -5.097 326 HB2 ARG 46 HB2 ARG 46 -11.263 2.130 -6.772 327 HB3 ARG 46 HB3 ARG 46 -12.127 1.342 -5.461 328 HG2 ARG 46 HG2 ARG 46 -13.478 1.357 -7.466 329 HG3 ARG 46 HG3 ARG 46 -14.231 2.353 -6.226 330 HD2 ARG 46 HD2 ARG 46 -13.417 4.383 -7.357 331 HD3 ARG 46 HD3 ARG 46 -12.617 3.391 -8.582 332 HE ARG 46 HE ARG 46 -15.330 2.690 -8.537 333 HH11 ARG 46 HH11 ARG 46 -13.375 5.498 -9.408 334 HH12 ARG 46 HH12 ARG 46 -14.512 6.083 -10.578 335 HH21 ARG 46 HH21 ARG 46 -16.801 3.435 -10.072 336 HH22 ARG 46 HH22 ARG 46 -16.483 4.892 -10.959 337 H GLY 47 H GLY 47 -13.317 3.229 -3.142 338 HA2 GLY 47 HA2 GLY 47 -11.204 2.077 -1.376 339 HA3 GLY 47 HA3 GLY 47 -12.555 3.055 -0.807 340 H ASP 48 H ASP 48 -12.815 0.604 -3.309 341 HA ASP 48 HA ASP 48 -15.156 -0.550 -2.177 342 HB2 ASP 48 HB2 ASP 48 -14.777 -0.457 -4.621 343 HB3 ASP 48 HB3 ASP 48 -13.383 -1.514 -4.479 344 H VAL 49 H VAL 49 -11.902 -1.927 -2.740 345 HA VAL 49 HA VAL 49 -12.343 -3.985 -0.681 346 HB VAL 49 HB VAL 49 -9.985 -3.719 -2.613 347 HG11 VAL 49 HG11 VAL 49 -10.899 -6.097 -0.947 348 HG12 VAL 49 HG12 VAL 49 -9.474 -5.100 -0.645 349 HG13 VAL 49 HG13 VAL 49 -9.559 -6.095 -2.097 350 HG21 VAL 49 HG21 VAL 49 -11.046 -5.453 -4.004 351 HG22 VAL 49 HG22 VAL 49 -12.069 -4.018 -3.899 352 HG23 VAL 49 HG23 VAL 49 -12.463 -5.452 -2.948 353 H GLU 50 H GLU 50 -12.356 -2.012 0.794 354 HA GLU 50 HA GLU 50 -9.944 -0.573 1.343 355 HB2 GLU 50 HB2 GLU 50 -11.132 0.390 3.237 356 HB3 GLU 50 HB3 GLU 50 -12.184 0.367 1.828 357 HG2 GLU 50 HG2 GLU 50 -13.491 -1.423 2.689 358 HG3 GLU 50 HG3 GLU 50 -12.312 -1.800 3.941 359 H GLU 51 H GLU 51 -11.118 -3.649 2.379 360 HA GLU 51 HA GLU 51 -9.720 -3.980 4.816 361 HB2 GLU 51 HB2 GLU 51 -10.000 -6.392 4.468 362 HB3 GLU 51 HB3 GLU 51 -11.478 -5.542 4.037 363 HG2 GLU 51 HG2 GLU 51 -10.995 -5.774 1.659 364 HG3 GLU 51 HG3 GLU 51 -9.419 -6.484 2.013 365 H SER 52 H SER 52 -8.667 -4.046 1.507 366 HA SER 52 HA SER 52 -6.046 -5.220 2.180 367 HB2 SER 52 HB2 SER 52 -7.544 -6.264 0.390 368 HB3 SER 52 HB3 SER 52 -7.241 -4.830 -0.591 369 HG SER 52 HG SER 52 -5.210 -6.515 0.465 370 H MET 53 H MET 53 -7.089 -2.208 2.355 371 HA MET 53 HA MET 53 -4.765 -1.040 0.943 372 HB2 MET 53 HB2 MET 53 -5.625 1.175 1.400 373 HB3 MET 53 HB3 MET 53 -6.893 0.219 0.663 374 HG2 MET 53 HG2 MET 53 -8.005 -0.012 2.812 375 HG3 MET 53 HG3 MET 53 -6.693 0.848 3.611 376 HE1 MET 53 HE1 MET 53 -9.496 1.219 0.786 377 HE2 MET 53 HE2 MET 53 -8.058 1.897 0.023 378 HE3 MET 53 HE3 MET 53 -9.390 2.955 0.478 379 H LEU 54 H LEU 54 -3.003 -0.442 1.959 380 HA LEU 54 HA LEU 54 -2.874 -0.468 4.909 381 HB2 LEU 54 HB2 LEU 54 -0.648 -0.745 2.836 382 HB3 LEU 54 HB3 LEU 54 -0.361 -0.545 4.554 383 HG LEU 54 HG LEU 54 -1.656 -2.751 4.905 384 HD11 LEU 54 HD11 LEU 54 -1.245 -3.017 1.919 385 HD12 LEU 54 HD12 LEU 54 -2.796 -2.882 2.753 386 HD13 LEU 54 HD13 LEU 54 -1.779 -4.298 3.009 387 HD21 LEU 54 HD21 LEU 54 0.300 -4.157 4.355 388 HD22 LEU 54 HD22 LEU 54 0.774 -2.642 5.120 389 HD23 LEU 54 HD23 LEU 54 0.965 -2.844 3.377 390 H LEU 55 H LEU 55 -2.217 1.414 5.938 391 HA LEU 55 HA LEU 55 -2.213 3.856 4.274 392 HB2 LEU 55 HB2 LEU 55 -3.960 3.709 6.010 393 HB3 LEU 55 HB3 LEU 55 -2.748 3.393 7.238 394 HG LEU 55 HG LEU 55 -1.863 5.688 7.022 395 HD11 LEU 55 HD11 LEU 55 -2.963 7.382 5.625 396 HD12 LEU 55 HD12 LEU 55 -4.013 6.141 4.937 397 HD13 LEU 55 HD13 LEU 55 -2.274 6.083 4.651 398 HD21 LEU 55 HD21 LEU 55 -3.687 5.292 8.626 399 HD22 LEU 55 HD22 LEU 55 -4.875 5.687 7.380 400 HD23 LEU 55 HD23 LEU 55 -3.761 6.926 7.963 401 H CYS 56 H CYS 56 -0.285 4.802 3.954 402 HA CYS 56 HA CYS 56 2.174 3.913 5.024 403 HB2 CYS 56 HB2 CYS 56 2.049 4.958 2.842 404 HB3 CYS 56 HB3 CYS 56 1.453 6.466 3.532 405 H ASP 57 H ASP 57 2.846 4.188 7.045 406 HA ASP 57 HA ASP 57 1.979 6.208 8.857 407 HB2 ASP 57 HB2 ASP 57 2.741 3.979 9.590 408 HB3 ASP 57 HB3 ASP 57 4.352 4.292 8.961 409 H GLY 58 H GLY 58 4.595 5.960 6.549 410 HA2 GLY 58 HA2 GLY 58 6.119 8.190 7.519 411 HA3 GLY 58 HA3 GLY 58 6.344 7.331 6.007 412 H CYS 59 H CYS 59 3.157 8.253 6.040 413 HA CYS 59 HA CYS 59 3.329 11.055 5.425 414 HB2 CYS 59 HB2 CYS 59 2.622 10.901 3.034 415 HB3 CYS 59 HB3 CYS 59 4.209 10.192 3.293 416 H ASP 60 H ASP 60 0.852 11.007 3.762 417 HA ASP 60 HA ASP 60 -1.091 10.401 5.921 418 HB2 ASP 60 HB2 ASP 60 -1.272 12.408 3.615 419 HB3 ASP 60 HB3 ASP 60 -2.523 12.146 4.820 420 H ASP 61 H ASP 61 -0.083 9.240 2.901 421 HA ASP 61 HA ASP 61 -2.716 9.055 1.664 422 HB2 ASP 61 HB2 ASP 61 -0.422 9.749 0.521 423 HB3 ASP 61 HB3 ASP 61 -0.206 8.030 0.323 424 H SER 62 H SER 62 -3.713 7.198 0.959 425 HA SER 62 HA SER 62 -2.969 4.669 2.293 426 HB2 SER 62 HB2 SER 62 -5.194 5.452 2.869 427 HB3 SER 62 HB3 SER 62 -5.622 5.669 1.173 428 HG SER 62 HG SER 62 -5.825 3.472 2.696 429 H TYR 63 H TYR 63 -2.385 2.938 1.077 430 HA TYR 63 HA TYR 63 -2.876 2.880 -1.850 431 HB2 TYR 63 HB2 TYR 63 -0.285 2.083 -0.437 432 HB3 TYR 63 HB3 TYR 63 -0.601 1.897 -2.159 433 HD1 TYR 63 HD2 TYR 63 -0.593 3.873 -3.651 434 HD2 TYR 63 HD1 TYR 63 0.285 4.292 0.513 435 HE1 TYR 63 HE2 TYR 63 0.333 6.117 -4.065 436 HE2 TYR 63 HE1 TYR 63 1.188 6.554 0.094 437 HH TYR 63 HH TYR 63 0.615 8.257 -2.637 438 H HIS 64 H HIS 64 -3.816 0.933 -2.482 439 HA HIS 64 HA HIS 64 -4.207 -1.274 -0.714 440 HB2 HIS 64 HB2 HIS 64 -4.417 -1.164 -3.747 441 HB3 HIS 64 HB3 HIS 64 -4.818 -2.590 -2.796 442 HD2 HIS 64 HD2 HIS 64 -6.814 -1.514 -0.583 443 HE1 HIS 64 HE1 HIS 64 -8.954 0.010 -3.881 444 HE2 HIS 64 HE2 HIS 64 -9.118 -0.830 -1.505 445 H THR 65 H THR 65 -3.350 -3.402 -0.928 446 HA THR 65 HA THR 65 -0.658 -3.911 -1.184 447 HB THR 65 HB THR 65 -1.353 -6.332 -1.539 448 HG1 THR 65 HG1 THR 65 -4.040 -5.453 -1.358 449 HG21 THR 65 HG21 THR 65 -1.304 -5.427 0.764 450 HG22 THR 65 HG22 THR 65 -2.611 -6.599 0.568 451 HG23 THR 65 HG23 THR 65 -2.968 -4.869 0.583 452 H PHE 66 H PHE 66 -3.171 -4.465 -3.603 453 HA PHE 66 HA PHE 66 -1.381 -5.376 -5.643 454 HB2 PHE 66 HB2 PHE 66 -3.520 -5.552 -7.015 455 HB3 PHE 66 HB3 PHE 66 -3.472 -6.492 -5.535 456 HD1 PHE 66 HD2 PHE 66 -5.030 -3.542 -7.177 457 HD2 PHE 66 HD1 PHE 66 -5.023 -6.044 -3.703 458 HE1 PHE 66 HE2 PHE 66 -7.186 -2.578 -6.468 459 HE2 PHE 66 HE1 PHE 66 -7.179 -5.078 -3.008 460 HZ PHE 66 HZ PHE 66 -8.258 -3.344 -4.384 461 H CYS 67 H CYS 67 -2.357 -2.216 -4.771 462 HA CYS 67 HA CYS 67 -2.342 -1.030 -7.397 463 HB2 CYS 67 HB2 CYS 67 -2.238 0.165 -4.606 464 HB3 CYS 67 HB3 CYS 67 -2.349 1.111 -6.091 465 H LEU 68 H LEU 68 0.099 -2.059 -5.278 466 HA LEU 68 HA LEU 68 2.113 -0.127 -6.289 467 HB2 LEU 68 HB2 LEU 68 2.157 -1.975 -3.869 468 HB3 LEU 68 HB3 LEU 68 3.480 -0.912 -4.336 469 HG LEU 68 HG LEU 68 0.696 0.109 -3.620 470 HD11 LEU 68 HD11 LEU 68 1.610 0.728 -1.447 471 HD12 LEU 68 HD12 LEU 68 3.142 -0.052 -1.847 472 HD13 LEU 68 HD13 LEU 68 1.671 -1.017 -1.692 473 HD21 LEU 68 HD21 LEU 68 1.989 1.644 -5.036 474 HD22 LEU 68 HD22 LEU 68 3.339 1.584 -3.904 475 HD23 LEU 68 HD23 LEU 68 1.802 2.298 -3.407 476 H LEU 69 H LEU 69 4.226 -0.938 -6.904 477 HA LEU 69 HA LEU 69 4.317 -3.769 -7.762 478 HB2 LEU 69 HB2 LEU 69 5.699 -1.328 -8.947 479 HB3 LEU 69 HB3 LEU 69 6.140 -2.973 -9.357 480 HG LEU 69 HG LEU 69 3.667 -3.253 -10.142 481 HD11 LEU 69 HD11 LEU 69 2.731 -1.229 -9.139 482 HD12 LEU 69 HD12 LEU 69 2.511 -1.231 -10.886 483 HD13 LEU 69 HD13 LEU 69 3.766 -0.223 -10.157 484 HD21 LEU 69 HD21 LEU 69 5.568 -3.227 -11.676 485 HD22 LEU 69 HD22 LEU 69 5.545 -1.464 -11.715 486 HD23 LEU 69 HD23 LEU 69 4.189 -2.379 -12.381 487 HA PRO 70 HA PRO 70 5.171 -5.583 -7.357 488 HB2 PRO 70 HB2 PRO 70 5.822 -7.447 -5.510 489 HB3 PRO 70 HB3 PRO 70 7.014 -6.876 -6.691 490 HG2 PRO 70 HG2 PRO 70 6.691 -6.071 -3.822 491 HG3 PRO 70 HG3 PRO 70 8.176 -6.462 -4.716 492 HD2 PRO 70 HD2 PRO 70 7.299 -3.884 -4.264 493 HD3 PRO 70 HD3 PRO 70 8.342 -4.347 -5.628 494 HA PRO 71 HA PRO 71 1.305 -5.228 -4.974 495 HB2 PRO 71 HB2 PRO 71 0.879 -8.067 -5.949 496 HB3 PRO 71 HB3 PRO 71 -0.214 -6.666 -6.043 497 HG2 PRO 71 HG2 PRO 71 1.053 -7.457 -8.220 498 HG3 PRO 71 HG3 PRO 71 0.933 -5.716 -7.863 499 HD2 PRO 71 HD2 PRO 71 3.284 -7.566 -7.456 500 HD3 PRO 71 HD3 PRO 71 3.253 -5.902 -8.091 501 H LEU 72 H LEU 72 1.118 -5.489 -2.788 502 HA LEU 72 HA LEU 72 3.001 -7.178 -1.412 503 HB2 LEU 72 HB2 LEU 72 0.849 -5.335 -0.274 504 HB3 LEU 72 HB3 LEU 72 2.176 -6.049 0.631 505 HG LEU 72 HG LEU 72 2.488 -3.999 -1.603 506 HD11 LEU 72 HD11 LEU 72 3.120 -2.408 0.159 507 HD12 LEU 72 HD12 LEU 72 2.761 -3.615 1.398 508 HD13 LEU 72 HD13 LEU 72 1.468 -2.985 0.374 509 HD21 LEU 72 HD21 LEU 72 4.854 -3.869 -0.901 510 HD22 LEU 72 HD22 LEU 72 4.433 -5.469 -1.502 511 HD23 LEU 72 HD23 LEU 72 4.591 -5.197 0.235 512 H THR 73 H THR 73 2.211 -9.241 -2.049 513 HA THR 73 HA THR 73 -0.416 -10.208 -1.623 514 HB THR 73 HB THR 73 2.147 -11.863 -1.779 515 HG1 THR 73 HG1 THR 73 1.843 -10.288 -3.532 516 HG21 THR 73 HG21 THR 73 0.706 -13.590 -2.794 517 HG22 THR 73 HG22 THR 73 -0.706 -12.552 -2.597 518 HG23 THR 73 HG23 THR 73 0.125 -13.186 -1.174 519 H SER 74 H SER 74 2.422 -10.040 0.388 520 HA SER 74 HA SER 74 0.876 -10.897 2.769 521 HB2 SER 74 HB2 SER 74 3.188 -11.148 3.826 522 HB3 SER 74 HB3 SER 74 2.836 -12.305 2.543 523 HG SER 74 HG SER 74 4.350 -9.915 2.283 524 H ILE 75 H ILE 75 0.638 -9.396 4.369 525 HA ILE 75 HA ILE 75 1.346 -6.635 4.043 526 HB ILE 75 HB ILE 75 0.264 -8.147 6.478 527 HG12 ILE 75 HG12 ILE 75 -1.208 -6.400 4.451 528 HG13 ILE 75 HG13 ILE 75 -1.233 -8.159 4.472 529 HG21 ILE 75 HG21 ILE 75 0.423 -5.136 6.068 530 HG22 ILE 75 HG22 ILE 75 1.386 -6.076 7.210 531 HG23 ILE 75 HG23 ILE 75 -0.361 -5.948 7.422 532 HD11 ILE 75 HD11 ILE 75 -3.262 -7.266 5.395 533 HD12 ILE 75 HD12 ILE 75 -2.365 -6.332 6.591 534 HD13 ILE 75 HD13 ILE 75 -2.357 -8.097 6.656 535 HA PRO 76 HA PRO 76 5.590 -7.511 5.486 536 HB2 PRO 76 HB2 PRO 76 6.522 -4.897 5.431 537 HB3 PRO 76 HB3 PRO 76 6.383 -5.925 3.994 538 HG2 PRO 76 HG2 PRO 76 4.515 -3.798 4.969 539 HG3 PRO 76 HG3 PRO 76 5.047 -4.156 3.311 540 HD2 PRO 76 HD2 PRO 76 2.625 -4.934 4.246 541 HD3 PRO 76 HD3 PRO 76 3.526 -5.898 3.055 542 H LYS 77 H LYS 77 5.270 -8.181 7.532 543 HA LYS 77 HA LYS 77 5.517 -8.295 9.749 544 HB2 LYS 77 HB2 LYS 77 7.393 -6.698 9.487 545 HB3 LYS 77 HB3 LYS 77 6.274 -5.346 9.609 546 HG2 LYS 77 HG2 LYS 77 7.488 -5.659 11.705 547 HG3 LYS 77 HG3 LYS 77 5.765 -5.966 11.940 548 HD2 LYS 77 HD2 LYS 77 6.198 -8.412 11.820 549 HD3 LYS 77 HD3 LYS 77 7.921 -8.092 11.601 550 HE2 LYS 77 HE2 LYS 77 8.028 -7.069 13.835 551 HE3 LYS 77 HE3 LYS 77 6.291 -7.305 14.040 552 HZ1 LYS 77 HZ1 LYS 77 6.618 -9.687 13.946 553 HZ2 LYS 77 HZ2 LYS 77 7.587 -9.021 15.158 554 HZ3 LYS 77 HZ3 LYS 77 8.279 -9.485 13.692 555 H GLY 78 H GLY 78 4.243 -4.976 9.567 556 HA2 GLY 78 HA2 GLY 78 1.496 -5.725 9.872 557 HA3 GLY 78 HA3 GLY 78 2.176 -5.139 11.394 558 H GLU 79 H GLU 79 3.128 -3.028 11.439 559 HA GLU 79 HA GLU 79 1.897 -0.944 9.983 560 HB2 GLU 79 HB2 GLU 79 2.942 -0.670 12.243 561 HB3 GLU 79 HB3 GLU 79 4.531 -0.921 11.528 562 HG2 GLU 79 HG2 GLU 79 4.090 1.145 10.097 563 HG3 GLU 79 HG3 GLU 79 2.659 1.430 11.088 564 H TRP 80 H TRP 80 2.753 0.356 8.291 565 HA TRP 80 HA TRP 80 4.969 -0.760 6.715 566 HB2 TRP 80 HB2 TRP 80 3.074 -1.928 5.850 567 HB3 TRP 80 HB3 TRP 80 2.055 -0.497 5.900 568 HD1 TRP 80 HD1 TRP 80 4.999 -1.955 3.812 569 HE1 TRP 80 HE1 TRP 80 4.824 -0.965 1.444 570 HE3 TRP 80 HE3 TRP 80 1.202 1.352 4.607 571 HZ2 TRP 80 HZ2 TRP 80 3.273 0.960 0.099 572 HZ3 TRP 80 HZ3 TRP 80 0.421 2.741 2.724 573 HH2 TRP 80 HH2 TRP 80 1.443 2.546 0.516 574 H LEU 81 H LEU 81 6.034 0.649 5.501 575 HA LEU 81 HA LEU 81 5.232 3.493 5.341 576 HB2 LEU 81 HB2 LEU 81 8.006 2.228 5.158 577 HB3 LEU 81 HB3 LEU 81 7.667 3.949 5.069 578 HG LEU 81 HG LEU 81 7.260 2.199 7.535 579 HD11 LEU 81 HD11 LEU 81 9.175 3.450 8.484 580 HD12 LEU 81 HD12 LEU 81 9.422 4.246 6.926 581 HD13 LEU 81 HD13 LEU 81 9.634 2.500 7.071 582 HD21 LEU 81 HD21 LEU 81 6.833 4.299 8.722 583 HD22 LEU 81 HD22 LEU 81 5.647 4.043 7.446 584 HD23 LEU 81 HD23 LEU 81 6.962 5.199 7.213 585 H CYS 82 H CYS 82 4.885 4.257 3.235 586 HA CYS 82 HA CYS 82 4.979 2.486 1.011 587 HB2 CYS 82 HB2 CYS 82 4.326 4.423 -0.355 588 HB3 CYS 82 HB3 CYS 82 3.374 4.371 1.131 589 HA PRO 83 HA PRO 83 9.274 2.525 -0.268 590 HB2 PRO 83 HB2 PRO 83 8.016 2.998 -2.996 591 HB3 PRO 83 HB3 PRO 83 9.314 1.870 -2.541 592 HG2 PRO 83 HG2 PRO 83 6.866 0.943 -2.864 593 HG3 PRO 83 HG3 PRO 83 7.840 0.382 -1.484 594 HD2 PRO 83 HD2 PRO 83 5.550 2.322 -1.510 595 HD3 PRO 83 HD3 PRO 83 6.013 1.138 -0.265 596 H ARG 84 H ARG 84 7.130 5.082 -1.402 597 HA ARG 84 HA ARG 84 8.995 6.944 -2.398 598 HB2 ARG 84 HB2 ARG 84 6.391 6.862 -2.597 599 HB3 ARG 84 HB3 ARG 84 6.375 7.691 -1.051 600 HG2 ARG 84 HG2 ARG 84 6.100 9.335 -2.773 601 HG3 ARG 84 HG3 ARG 84 7.728 9.547 -2.123 602 HD2 ARG 84 HD2 ARG 84 8.638 8.259 -4.038 603 HD3 ARG 84 HD3 ARG 84 7.003 8.064 -4.679 604 HE ARG 84 HE ARG 84 7.389 10.789 -4.410 605 HH11 ARG 84 HH11 ARG 84 8.940 8.192 -6.227 606 HH12 ARG 84 HH12 ARG 84 9.437 9.237 -7.518 607 HH21 ARG 84 HH21 ARG 84 8.054 12.138 -6.112 608 HH22 ARG 84 HH22 ARG 84 8.929 11.476 -7.451 609 H CYS 85 H CYS 85 7.498 6.642 0.839 610 HA CYS 85 HA CYS 85 8.816 8.893 2.031 611 HB2 CYS 85 HB2 CYS 85 7.392 6.530 3.331 612 HB3 CYS 85 HB3 CYS 85 7.801 8.061 4.123 613 H VAL 86 H VAL 86 9.593 5.513 1.628 614 HA VAL 86 HA VAL 86 11.568 5.232 3.687 615 HB VAL 86 HB VAL 86 11.155 3.579 1.141 616 HG11 VAL 86 HG11 VAL 86 12.329 1.742 2.313 617 HG12 VAL 86 HG12 VAL 86 12.660 2.816 3.673 618 HG13 VAL 86 HG13 VAL 86 13.387 3.141 2.099 619 HG21 VAL 86 HG21 VAL 86 10.068 3.128 3.941 620 HG22 VAL 86 HG22 VAL 86 9.860 2.034 2.569 621 HG23 VAL 86 HG23 VAL 86 9.136 3.642 2.535 622 H VAL 87 H VAL 87 11.617 6.614 0.471 623 HA VAL 87 HA VAL 87 14.367 6.340 -0.175 624 HB VAL 87 HB VAL 87 12.383 8.480 -1.078 625 HG11 VAL 87 HG11 VAL 87 15.078 7.789 -2.320 626 HG12 VAL 87 HG12 VAL 87 14.687 9.286 -1.471 627 HG13 VAL 87 HG13 VAL 87 13.886 8.901 -2.993 628 HG21 VAL 87 HG21 VAL 87 13.264 5.889 -2.384 629 HG22 VAL 87 HG22 VAL 87 12.199 7.090 -3.121 630 HG23 VAL 87 HG23 VAL 87 11.685 6.225 -1.674 631 H GLU 88 H GLU 88 12.616 8.772 1.694 632 HA GLU 88 HA GLU 88 14.529 10.824 1.772 633 HB2 GLU 88 HB2 GLU 88 12.408 10.126 3.843 634 HB3 GLU 88 HB3 GLU 88 13.337 11.620 3.838 635 HG2 GLU 88 HG2 GLU 88 12.357 12.165 1.593 636 HG3 GLU 88 HG3 GLU 88 11.354 10.724 1.724 637 H GLU 89 H GLU 89 16.273 11.271 2.995 638 HA GLU 89 HA GLU 89 18.142 11.020 4.211 639 HB2 GLU 89 HB2 GLU 89 16.185 11.265 6.020 640 HB3 GLU 89 HB3 GLU 89 16.638 9.625 6.443 641 HG2 GLU 89 HG2 GLU 89 18.387 12.101 6.573 642 HG3 GLU 89 HG3 GLU 89 17.759 11.172 7.925 643 H VAL 90 H VAL 90 19.535 9.629 3.247 644 HA VAL 90 HA VAL 90 19.119 6.813 3.009 645 HB VAL 90 HB VAL 90 21.710 8.382 2.600 646 HG11 VAL 90 HG11 VAL 90 22.146 5.974 2.860 647 HG12 VAL 90 HG12 VAL 90 22.424 6.480 1.194 648 HG13 VAL 90 HG13 VAL 90 20.950 5.606 1.612 649 HG21 VAL 90 HG21 VAL 90 19.580 7.613 0.573 650 HG22 VAL 90 HG22 VAL 90 21.120 8.391 0.200 651 HG23 VAL 90 HG23 VAL 90 19.913 9.243 1.165 652 H SER 91 H SER 91 21.663 8.621 4.878 653 HA SER 91 HA SER 91 21.537 6.962 7.182 654 HB2 SER 91 HB2 SER 91 23.773 5.765 6.855 655 HB3 SER 91 HB3 SER 91 22.468 5.188 5.819 656 HG SER 91 HG SER 91 23.431 6.873 4.290 657 H LYS 92 H LYS 92 22.560 7.938 8.879 658 HA LYS 92 HA LYS 92 24.866 9.757 8.447 659 HB2 LYS 92 HB2 LYS 92 22.593 10.195 10.456 660 HB3 LYS 92 HB3 LYS 92 24.020 11.212 10.288 661 HG2 LYS 92 HG2 LYS 92 23.279 11.919 8.056 662 HG3 LYS 92 HG3 LYS 92 21.872 10.854 8.174 663 HD2 LYS 92 HD2 LYS 92 21.061 12.157 10.131 664 HD3 LYS 92 HD3 LYS 92 22.459 13.225 9.999 665 HE2 LYS 92 HE2 LYS 92 21.682 13.947 7.762 666 HE3 LYS 92 HE3 LYS 92 20.277 12.889 7.913 667 HZ1 LYS 92 HZ1 LYS 92 19.505 14.176 9.775 668 HZ2 LYS 92 HZ2 LYS 92 19.808 15.231 8.490 669 HZ3 LYS 92 HZ3 LYS 92 20.900 15.127 9.771 670 HA PRO 93 HA PRO 93 26.606 6.949 11.630 671 HB2 PRO 93 HB2 PRO 93 28.797 8.503 12.351 672 HB3 PRO 93 HB3 PRO 93 28.750 7.489 10.897 673 HG2 PRO 93 HG2 PRO 93 28.260 10.442 11.144 674 HG3 PRO 93 HG3 PRO 93 29.204 9.558 9.922 675 HD2 PRO 93 HD2 PRO 93 26.701 10.416 9.395 676 HD3 PRO 93 HD3 PRO 93 27.304 8.871 8.748 677 H GLN 94 H GLN 94 25.312 6.884 13.425 678 HA GLN 94 HA GLN 94 25.217 9.068 15.366 679 HB2 GLN 94 HB2 GLN 94 23.535 9.745 13.677 680 HB3 GLN 94 HB3 GLN 94 22.762 8.167 13.783 681 HG2 GLN 94 HG2 GLN 94 22.194 8.669 16.176 682 HG3 GLN 94 HG3 GLN 94 22.850 10.292 15.948 683 HE21 GLN 94 HE21 GLN 94 20.108 9.441 16.635 684 HE22 GLN 94 HE22 GLN 94 19.089 10.111 15.411 Start of MODEL 18 1 H1 SER 1 H1 SER 1 -6.939 101.251 -30.854 2 H2 SER 1 H2 SER 1 -5.443 101.899 -30.416 3 H3 SER 1 H3 SER 1 -6.461 101.259 -29.234 4 HA SER 1 HA SER 1 -5.187 99.741 -31.423 5 HB2 SER 1 HB2 SER 1 -3.840 98.713 -29.547 6 HB3 SER 1 HB3 SER 1 -3.522 100.431 -29.774 7 HG SER 1 HG SER 1 -3.829 99.748 -27.552 8 H HIS 2 H HIS 2 -5.551 97.418 -31.309 9 HA HIS 2 HA HIS 2 -8.091 96.672 -30.030 10 HB2 HIS 2 HB2 HIS 2 -8.006 94.643 -31.449 11 HB3 HIS 2 HB3 HIS 2 -7.914 96.114 -32.403 12 HD2 HIS 2 HD2 HIS 2 -5.869 92.905 -31.703 13 HE1 HIS 2 HE1 HIS 2 -3.735 95.278 -34.481 14 HE2 HIS 2 HE2 HIS 2 -3.762 93.092 -33.193 15 H MET 3 H MET 3 -8.198 95.374 -28.289 16 HA MET 3 HA MET 3 -5.781 94.689 -26.853 17 HB2 MET 3 HB2 MET 3 -7.802 95.626 -25.722 18 HB3 MET 3 HB3 MET 3 -8.714 94.190 -26.154 19 HG2 MET 3 HG2 MET 3 -7.198 92.837 -24.734 20 HG3 MET 3 HG3 MET 3 -6.337 94.313 -24.282 21 HE1 MET 3 HE1 MET 3 -10.796 93.584 -23.206 22 HE2 MET 3 HE2 MET 3 -9.847 92.472 -24.188 23 HE3 MET 3 HE3 MET 3 -10.280 94.059 -24.826 24 H SER 4 H SER 4 -4.957 93.227 -28.493 25 HA SER 4 HA SER 4 -4.436 91.279 -29.464 26 HB2 SER 4 HB2 SER 4 -6.002 90.050 -27.155 27 HB3 SER 4 HB3 SER 4 -4.913 89.162 -28.227 28 HG SER 4 HG SER 4 -3.710 91.372 -27.210 29 H GLY 5 H GLY 5 -5.189 90.624 -31.384 30 HA2 GLY 5 HA2 GLY 5 -7.876 90.955 -32.215 31 HA3 GLY 5 HA3 GLY 5 -6.607 90.157 -33.127 32 H GLY 6 H GLY 6 -6.126 88.162 -31.058 33 HA2 GLY 6 HA2 GLY 6 -8.525 86.668 -30.533 34 HA3 GLY 6 HA3 GLY 6 -7.596 86.008 -31.879 35 H SER 7 H SER 7 -7.172 87.162 -28.546 36 HA SER 7 HA SER 7 -4.703 86.050 -27.919 37 HB2 SER 7 HB2 SER 7 -5.823 87.754 -26.531 38 HB3 SER 7 HB3 SER 7 -7.087 86.605 -26.094 39 HG SER 7 HG SER 7 -4.325 86.398 -25.470 40 HA PRO 8 HA PRO 8 -5.861 81.693 -28.346 41 HB2 PRO 8 HB2 PRO 8 -3.221 81.190 -26.977 42 HB3 PRO 8 HB3 PRO 8 -3.825 80.583 -28.534 43 HG2 PRO 8 HG2 PRO 8 -1.973 82.481 -28.484 44 HG3 PRO 8 HG3 PRO 8 -3.295 82.554 -29.674 45 HD2 PRO 8 HD2 PRO 8 -2.998 84.077 -27.086 46 HD3 PRO 8 HD3 PRO 8 -3.527 84.658 -28.684 47 H LEU 9 H LEU 9 -7.391 80.913 -27.047 48 HA LEU 9 HA LEU 9 -7.480 81.079 -24.194 49 HB2 LEU 9 HB2 LEU 9 -9.393 80.858 -26.011 50 HB3 LEU 9 HB3 LEU 9 -9.120 79.138 -25.872 51 HG LEU 9 HG LEU 9 -10.119 81.011 -23.678 52 HD11 LEU 9 HD11 LEU 9 -12.220 79.742 -23.855 53 HD12 LEU 9 HD12 LEU 9 -11.544 78.782 -25.171 54 HD13 LEU 9 HD13 LEU 9 -11.801 80.515 -25.385 55 HD21 LEU 9 HD21 LEU 9 -8.760 79.269 -22.626 56 HD22 LEU 9 HD22 LEU 9 -9.673 78.015 -23.468 57 HD23 LEU 9 HD23 LEU 9 -10.471 79.033 -22.265 58 H ALA 10 H ALA 10 -6.256 79.840 -22.864 59 HA ALA 10 HA ALA 10 -4.942 77.413 -23.707 60 HB1 ALA 10 HB1 ALA 10 -5.074 78.709 -20.955 61 HB2 ALA 10 HB2 ALA 10 -3.811 78.959 -22.162 62 HB3 ALA 10 HB3 ALA 10 -4.013 77.374 -21.417 63 H THR 11 H THR 11 -6.520 75.946 -24.215 64 HA THR 11 HA THR 11 -8.386 75.066 -22.087 65 HB THR 11 HB THR 11 -9.660 76.194 -23.812 66 HG1 THR 11 HG1 THR 11 -11.125 74.685 -23.866 67 HG21 THR 11 HG21 THR 11 -9.710 75.475 -26.169 68 HG22 THR 11 HG22 THR 11 -8.420 74.315 -25.853 69 HG23 THR 11 HG23 THR 11 -8.099 76.043 -25.709 70 H GLY 12 H GLY 12 -8.038 73.077 -21.421 71 HA2 GLY 12 HA2 GLY 12 -7.199 70.896 -23.174 72 HA3 GLY 12 HA3 GLY 12 -6.050 71.356 -21.917 73 H THR 13 H THR 13 -8.684 69.413 -22.625 74 HA THR 13 HA THR 13 -9.399 69.009 -19.769 75 HB THR 13 HB THR 13 -11.291 69.870 -21.128 76 HG1 THR 13 HG1 THR 13 -11.741 68.440 -19.406 77 HG21 THR 13 HG21 THR 13 -12.347 68.495 -22.872 78 HG22 THR 13 HG22 THR 13 -11.057 67.299 -22.739 79 HG23 THR 13 HG23 THR 13 -10.699 68.919 -23.341 80 H THR 14 H THR 14 -9.721 66.872 -19.071 81 HA THR 14 HA THR 14 -8.708 64.664 -20.770 82 HB THR 14 HB THR 14 -7.869 63.618 -18.607 83 HG1 THR 14 HG1 THR 14 -8.610 66.178 -17.611 84 HG21 THR 14 HG21 THR 14 -6.570 66.271 -19.360 85 HG22 THR 14 HG22 THR 14 -6.231 64.699 -20.089 86 HG23 THR 14 HG23 THR 14 -5.807 64.997 -18.403 87 H ALA 15 H ALA 15 -9.862 62.717 -20.579 88 HA ALA 15 HA ALA 15 -12.481 62.773 -19.303 89 HB1 ALA 15 HB1 ALA 15 -11.094 60.560 -20.870 90 HB2 ALA 15 HB2 ALA 15 -12.236 61.734 -21.524 91 HB3 ALA 15 HB3 ALA 15 -12.782 60.548 -20.341 92 H ASN 16 H ASN 16 -9.873 60.322 -19.210 93 HA ASN 16 HA ASN 16 -9.165 58.832 -17.666 94 HB2 ASN 16 HB2 ASN 16 -9.224 61.374 -15.979 95 HB3 ASN 16 HB3 ASN 16 -8.502 59.869 -15.411 96 HD21 ASN 16 HD21 ASN 16 -6.443 60.663 -15.254 97 HD22 ASN 16 HD22 ASN 16 -5.486 61.118 -16.617 98 H THR 17 H THR 17 -11.223 57.680 -17.830 99 HA THR 17 HA THR 17 -12.420 57.189 -15.257 100 HB THR 17 HB THR 17 -13.746 59.166 -15.970 101 HG1 THR 17 HG1 THR 17 -14.767 57.557 -14.709 102 HG21 THR 17 HG21 THR 17 -13.664 58.891 -18.427 103 HG22 THR 17 HG22 THR 17 -15.323 59.042 -17.849 104 HG23 THR 17 HG23 THR 17 -14.691 57.458 -18.305 105 H ARG 18 H ARG 18 -14.066 55.446 -15.368 106 HA ARG 18 HA ARG 18 -14.717 53.350 -15.828 107 HB2 ARG 18 HB2 ARG 18 -15.548 54.459 -17.954 108 HB3 ARG 18 HB3 ARG 18 -14.071 53.947 -18.754 109 HG2 ARG 18 HG2 ARG 18 -15.996 52.503 -19.305 110 HG3 ARG 18 HG3 ARG 18 -14.712 51.596 -18.499 111 HD2 ARG 18 HD2 ARG 18 -16.943 50.968 -17.658 112 HD3 ARG 18 HD3 ARG 18 -15.954 51.683 -16.381 113 HE ARG 18 HE ARG 18 -17.854 53.392 -17.840 114 HH11 ARG 18 HH11 ARG 18 -17.020 51.762 -14.824 115 HH12 ARG 18 HH12 ARG 18 -18.166 52.660 -13.882 116 HH21 ARG 18 HH21 ARG 18 -19.351 54.566 -16.591 117 HH22 ARG 18 HH22 ARG 18 -19.497 54.262 -14.891 118 H GLY 19 H GLY 19 -11.709 54.155 -15.603 119 HA2 GLY 19 HA2 GLY 19 -10.304 51.919 -16.844 120 HA3 GLY 19 HA3 GLY 19 -9.600 53.224 -15.905 121 H ALA 20 H ALA 20 -12.024 50.705 -15.312 122 HA ALA 20 HA ALA 20 -10.451 49.339 -13.322 123 HB1 ALA 20 HB1 ALA 20 -12.055 49.688 -11.456 124 HB2 ALA 20 HB2 ALA 20 -12.957 50.844 -12.442 125 HB3 ALA 20 HB3 ALA 20 -11.302 51.204 -11.948 126 H SER 21 H SER 21 -10.993 47.224 -13.494 127 HA SER 21 HA SER 21 -13.696 46.302 -13.629 128 HB2 SER 21 HB2 SER 21 -13.360 46.846 -16.052 129 HB3 SER 21 HB3 SER 21 -11.955 45.783 -16.086 130 HG SER 21 HG SER 21 -14.479 44.841 -15.269 131 H GLN 22 H GLN 22 -10.786 44.704 -14.970 132 HA GLN 22 HA GLN 22 -9.490 42.972 -14.369 133 HB2 GLN 22 HB2 GLN 22 -10.108 44.036 -11.597 134 HB3 GLN 22 HB3 GLN 22 -9.087 42.624 -11.820 135 HG2 GLN 22 HG2 GLN 22 -7.765 44.655 -11.487 136 HG3 GLN 22 HG3 GLN 22 -7.458 43.937 -13.063 137 HE21 GLN 22 HE21 GLN 22 -8.072 45.071 -14.917 138 HE22 GLN 22 HE22 GLN 22 -8.511 46.742 -14.877 139 H LYS 23 H LYS 23 -9.979 40.936 -14.747 140 HA LYS 23 HA LYS 23 -12.513 39.763 -14.327 141 HB2 LYS 23 HB2 LYS 23 -11.050 39.128 -16.207 142 HB3 LYS 23 HB3 LYS 23 -9.855 38.471 -15.095 143 HG2 LYS 23 HG2 LYS 23 -11.533 36.766 -14.359 144 HG3 LYS 23 HG3 LYS 23 -12.659 37.400 -15.561 145 HD2 LYS 23 HD2 LYS 23 -11.059 36.769 -17.370 146 HD3 LYS 23 HD3 LYS 23 -9.955 36.114 -16.151 147 HE2 LYS 23 HE2 LYS 23 -11.288 34.327 -17.195 148 HE3 LYS 23 HE3 LYS 23 -11.661 34.466 -15.479 149 HZ1 LYS 23 HZ1 LYS 23 -13.291 35.625 -17.675 150 HZ2 LYS 23 HZ2 LYS 23 -13.661 35.677 -16.029 151 HZ3 LYS 23 HZ3 LYS 23 -13.654 34.201 -16.848 152 H LYS 24 H LYS 24 -13.319 39.008 -12.451 153 HA LYS 24 HA LYS 24 -11.619 37.719 -10.431 154 HB2 LYS 24 HB2 LYS 24 -14.571 38.500 -10.441 155 HB3 LYS 24 HB3 LYS 24 -13.891 37.446 -9.207 156 HG2 LYS 24 HG2 LYS 24 -12.307 39.237 -8.559 157 HG3 LYS 24 HG3 LYS 24 -13.051 40.306 -9.750 158 HD2 LYS 24 HD2 LYS 24 -15.155 40.312 -8.549 159 HD3 LYS 24 HD3 LYS 24 -14.614 39.019 -7.475 160 HE2 LYS 24 HE2 LYS 24 -14.564 41.185 -6.337 161 HE3 LYS 24 HE3 LYS 24 -12.938 40.529 -6.487 162 HZ1 LYS 24 HZ1 LYS 24 -12.551 42.019 -8.342 163 HZ2 LYS 24 HZ2 LYS 24 -13.021 42.890 -6.972 164 HZ3 LYS 24 HZ3 LYS 24 -14.126 42.622 -8.221 165 H GLY 25 H GLY 25 -11.027 35.730 -11.266 166 HA2 GLY 25 HA2 GLY 25 -12.933 33.798 -12.300 167 HA3 GLY 25 HA3 GLY 25 -11.265 33.487 -11.824 168 H GLY 26 H GLY 26 -13.666 31.922 -11.180 169 HA2 GLY 26 HA2 GLY 26 -13.447 31.923 -8.235 170 HA3 GLY 26 HA3 GLY 26 -15.034 31.990 -8.991 171 H GLU 27 H GLU 27 -13.221 29.980 -7.427 172 HA GLU 27 HA GLU 27 -14.573 27.661 -8.485 173 HB2 GLU 27 HB2 GLU 27 -12.488 27.588 -9.826 174 HB3 GLU 27 HB3 GLU 27 -11.519 27.713 -8.364 175 HG2 GLU 27 HG2 GLU 27 -11.558 25.414 -9.242 176 HG3 GLU 27 HG3 GLU 27 -12.257 25.509 -7.629 177 HA PRO 28 HA PRO 28 -14.689 27.891 -3.863 178 HB2 PRO 28 HB2 PRO 28 -16.705 25.959 -3.628 179 HB3 PRO 28 HB3 PRO 28 -17.000 27.687 -3.899 180 HG2 PRO 28 HG2 PRO 28 -16.907 25.461 -5.912 181 HG3 PRO 28 HG3 PRO 28 -18.085 26.788 -5.753 182 HD2 PRO 28 HD2 PRO 28 -16.150 26.938 -7.581 183 HD3 PRO 28 HD3 PRO 28 -16.603 28.383 -6.646 184 HA PRO 29 HA PRO 29 -11.801 24.301 -3.513 185 HB2 PRO 29 HB2 PRO 29 -11.539 25.369 -0.704 186 HB3 PRO 29 HB3 PRO 29 -10.274 24.982 -1.895 187 HG2 PRO 29 HG2 PRO 29 -10.867 27.516 -1.375 188 HG3 PRO 29 HG3 PRO 29 -10.536 26.996 -3.045 189 HD2 PRO 29 HD2 PRO 29 -13.207 27.511 -1.727 190 HD3 PRO 29 HD3 PRO 29 -12.625 28.010 -3.335 191 H ALA 30 H ALA 30 -13.440 22.779 -3.691 192 HA ALA 30 HA ALA 30 -14.825 21.879 -1.218 193 HB1 ALA 30 HB1 ALA 30 -15.778 21.690 -4.109 194 HB2 ALA 30 HB2 ALA 30 -16.359 22.842 -2.906 195 HB3 ALA 30 HB3 ALA 30 -16.657 21.120 -2.687 196 H LEU 31 H LEU 31 -12.154 21.093 -2.429 197 HA LEU 31 HA LEU 31 -12.535 18.360 -3.378 198 HB2 LEU 31 HB2 LEU 31 -9.988 19.950 -2.866 199 HB3 LEU 31 HB3 LEU 31 -10.068 18.375 -3.637 200 HG LEU 31 HG LEU 31 -11.130 21.002 -4.756 201 HD11 LEU 31 HD11 LEU 31 -8.701 20.748 -4.955 202 HD12 LEU 31 HD12 LEU 31 -9.465 20.654 -6.538 203 HD13 LEU 31 HD13 LEU 31 -8.904 19.181 -5.743 204 HD21 LEU 31 HD21 LEU 31 -11.407 18.220 -5.951 205 HD22 LEU 31 HD22 LEU 31 -11.800 19.732 -6.776 206 HD23 LEU 31 HD23 LEU 31 -12.716 19.244 -5.352 207 H ILE 32 H ILE 32 -13.347 17.244 -1.691 208 HA ILE 32 HA ILE 32 -13.571 16.098 0.212 209 HB ILE 32 HB ILE 32 -10.513 15.956 0.103 210 HG12 ILE 32 HG12 ILE 32 -10.969 13.559 -0.690 211 HG13 ILE 32 HG13 ILE 32 -12.661 13.994 -0.857 212 HG21 ILE 32 HG21 ILE 32 -11.270 15.502 2.406 213 HG22 ILE 32 HG22 ILE 32 -10.660 14.028 1.657 214 HG23 ILE 32 HG23 ILE 32 -12.401 14.279 1.817 215 HD11 ILE 32 HD11 ILE 32 -10.362 15.209 -2.391 216 HD12 ILE 32 HD12 ILE 32 -12.070 15.605 -2.597 217 HD13 ILE 32 HD13 ILE 32 -11.486 13.989 -2.988 218 H VAL 33 H VAL 33 -14.517 17.918 1.231 219 HA VAL 33 HA VAL 33 -12.932 19.548 3.069 220 HB VAL 33 HB VAL 33 -15.978 19.475 2.715 221 HG11 VAL 33 HG11 VAL 33 -15.298 20.398 4.897 222 HG12 VAL 33 HG12 VAL 33 -15.964 21.664 3.867 223 HG13 VAL 33 HG13 VAL 33 -14.218 21.545 4.099 224 HG21 VAL 33 HG21 VAL 33 -15.713 21.511 1.331 225 HG22 VAL 33 HG22 VAL 33 -14.862 20.144 0.614 226 HG23 VAL 33 HG23 VAL 33 -13.954 21.392 1.469 227 H ASP 34 H ASP 34 -12.069 17.945 4.327 228 HA ASP 34 HA ASP 34 -13.482 16.753 6.479 229 HB2 ASP 34 HB2 ASP 34 -14.396 15.253 4.773 230 HB3 ASP 34 HB3 ASP 34 -12.808 14.990 4.071 231 HA PRO 35 HA PRO 35 -9.201 16.818 8.055 232 HB2 PRO 35 HB2 PRO 35 -10.217 14.396 9.574 233 HB3 PRO 35 HB3 PRO 35 -9.292 15.795 10.174 234 HG2 PRO 35 HG2 PRO 35 -11.887 15.665 10.625 235 HG3 PRO 35 HG3 PRO 35 -11.146 17.212 10.146 236 HD2 PRO 35 HD2 PRO 35 -12.811 15.326 8.502 237 HD3 PRO 35 HD3 PRO 35 -12.749 17.102 8.476 238 H LEU 36 H LEU 36 -10.069 13.337 8.101 239 HA LEU 36 HA LEU 36 -8.863 12.620 5.640 240 HB2 LEU 36 HB2 LEU 36 -6.816 13.090 7.100 241 HB3 LEU 36 HB3 LEU 36 -7.314 11.748 8.112 242 HG LEU 36 HG LEU 36 -7.110 10.243 6.070 243 HD11 LEU 36 HD11 LEU 36 -5.802 11.016 4.150 244 HD12 LEU 36 HD12 LEU 36 -5.762 12.650 4.814 245 HD13 LEU 36 HD13 LEU 36 -7.297 11.936 4.317 246 HD21 LEU 36 HD21 LEU 36 -4.589 11.633 7.003 247 HD22 LEU 36 HD22 LEU 36 -4.674 10.053 6.217 248 HD23 LEU 36 HD23 LEU 36 -5.405 10.288 7.805 249 H MET 37 H MET 37 -11.228 12.213 7.542 250 HA MET 37 HA MET 37 -11.374 9.521 8.402 251 HB2 MET 37 HB2 MET 37 -12.915 11.319 9.185 252 HB3 MET 37 HB3 MET 37 -13.645 11.402 7.590 253 HG2 MET 37 HG2 MET 37 -14.483 9.094 7.866 254 HG3 MET 37 HG3 MET 37 -13.766 9.025 9.475 255 HE1 MET 37 HE1 MET 37 -14.619 10.562 11.546 256 HE2 MET 37 HE2 MET 37 -15.900 11.761 11.393 257 HE3 MET 37 HE3 MET 37 -14.358 12.017 10.581 258 H LYS 38 H LYS 38 -11.941 11.050 5.272 259 HA LYS 38 HA LYS 38 -12.761 8.629 3.914 260 HB2 LYS 38 HB2 LYS 38 -11.920 11.392 2.966 261 HB3 LYS 38 HB3 LYS 38 -12.003 10.065 1.821 262 HG2 LYS 38 HG2 LYS 38 -14.011 11.295 1.592 263 HG3 LYS 38 HG3 LYS 38 -14.439 9.799 2.400 264 HD2 LYS 38 HD2 LYS 38 -13.913 12.253 4.064 265 HD3 LYS 38 HD3 LYS 38 -15.428 12.144 3.180 266 HE2 LYS 38 HE2 LYS 38 -16.026 10.102 4.367 267 HE3 LYS 38 HE3 LYS 38 -14.462 10.076 5.186 268 HZ1 LYS 38 HZ1 LYS 38 -16.537 12.191 5.482 269 HZ2 LYS 38 HZ2 LYS 38 -15.044 12.165 6.270 270 HZ3 LYS 38 HZ3 LYS 38 -16.198 10.979 6.610 271 H TYR 39 H TYR 39 -11.064 7.214 4.772 272 HA TYR 39 HA TYR 39 -8.377 7.488 3.676 273 HB2 TYR 39 HB2 TYR 39 -9.714 5.201 5.180 274 HB3 TYR 39 HB3 TYR 39 -8.038 5.176 4.644 275 HD1 TYR 39 HD2 TYR 39 -6.381 6.750 5.679 276 HD2 TYR 39 HD1 TYR 39 -10.363 6.394 7.206 277 HE1 TYR 39 HE2 TYR 39 -5.693 7.859 7.765 278 HE2 TYR 39 HE1 TYR 39 -9.669 7.505 9.286 279 HH TYR 39 HH TYR 39 -7.504 7.815 10.570 280 H ILE 40 H ILE 40 -8.604 7.531 1.522 281 HA ILE 40 HA ILE 40 -9.936 5.320 0.065 282 HB ILE 40 HB ILE 40 -9.142 8.129 -0.875 283 HG12 ILE 40 HG12 ILE 40 -11.064 8.208 0.685 284 HG13 ILE 40 HG13 ILE 40 -11.569 8.640 -0.943 285 HG21 ILE 40 HG21 ILE 40 -10.655 5.979 -2.406 286 HG22 ILE 40 HG22 ILE 40 -9.021 6.561 -2.744 287 HG23 ILE 40 HG23 ILE 40 -10.401 7.638 -2.952 288 HD11 ILE 40 HD11 ILE 40 -13.227 7.240 0.117 289 HD12 ILE 40 HD12 ILE 40 -12.027 5.988 0.423 290 HD13 ILE 40 HD13 ILE 40 -12.496 6.373 -1.233 291 H CYS 41 H CYS 41 -8.711 4.133 -1.437 292 HA CYS 41 HA CYS 41 -5.861 4.141 -1.311 293 HB2 CYS 41 HB2 CYS 41 -7.078 2.096 -1.878 294 HB3 CYS 41 HB3 CYS 41 -7.771 2.860 -3.311 295 H HIS 42 H HIS 42 -5.015 5.977 -1.851 296 HA HIS 42 HA HIS 42 -5.949 8.031 -3.412 297 HB2 HIS 42 HB2 HIS 42 -4.121 8.162 -1.677 298 HB3 HIS 42 HB3 HIS 42 -3.006 7.472 -2.850 299 HD1 HIS 42 HD1 HIS 42 -1.490 9.440 -3.075 300 HD2 HIS 42 HD2 HIS 42 -5.459 10.484 -3.675 301 HE1 HIS 42 HE1 HIS 42 -1.435 11.819 -3.848 302 HE2 HIS 42 HE2 HIS 42 -3.857 12.475 -4.046 303 H ILE 43 H ILE 43 -3.698 5.471 -4.463 304 HA ILE 43 HA ILE 43 -3.276 6.301 -7.115 305 HB ILE 43 HB ILE 43 -3.261 3.505 -5.902 306 HG12 ILE 43 HG12 ILE 43 -1.068 5.475 -6.691 307 HG13 ILE 43 HG13 ILE 43 -1.436 4.885 -5.076 308 HG21 ILE 43 HG21 ILE 43 -3.811 3.242 -8.293 309 HG22 ILE 43 HG22 ILE 43 -2.181 2.660 -7.971 310 HG23 ILE 43 HG23 ILE 43 -2.416 4.233 -8.736 311 HD11 ILE 43 HD11 ILE 43 -0.214 3.320 -7.343 312 HD12 ILE 43 HD12 ILE 43 -0.660 2.637 -5.778 313 HD13 ILE 43 HD13 ILE 43 0.584 3.882 -5.875 314 H CYS 44 H CYS 44 -5.958 4.338 -5.750 315 HA CYS 44 HA CYS 44 -6.965 3.700 -8.441 316 HB2 CYS 44 HB2 CYS 44 -7.920 2.822 -5.692 317 HB3 CYS 44 HB3 CYS 44 -8.465 2.159 -7.239 318 H ASN 45 H ASN 45 -7.600 5.943 -5.922 319 HA ASN 45 HA ASN 45 -9.306 7.230 -5.199 320 HB2 ASN 45 HB2 ASN 45 -8.967 8.175 -7.542 321 HB3 ASN 45 HB3 ASN 45 -10.265 7.129 -8.111 322 HD21 ASN 45 HD21 ASN 45 -11.448 8.968 -8.791 323 HD22 ASN 45 HD22 ASN 45 -12.249 10.006 -7.669 324 H ARG 46 H ARG 46 -9.587 4.447 -4.802 325 HA ARG 46 HA ARG 46 -12.506 3.970 -4.962 326 HB2 ARG 46 HB2 ARG 46 -10.283 1.905 -5.357 327 HB3 ARG 46 HB3 ARG 46 -11.994 1.519 -5.229 328 HG2 ARG 46 HG2 ARG 46 -10.758 3.187 -7.438 329 HG3 ARG 46 HG3 ARG 46 -11.130 1.469 -7.560 330 HD2 ARG 46 HD2 ARG 46 -13.519 1.958 -7.228 331 HD3 ARG 46 HD3 ARG 46 -13.149 3.682 -7.089 332 HE ARG 46 HE ARG 46 -12.085 3.046 -9.480 333 HH11 ARG 46 HH11 ARG 46 -15.304 2.502 -8.187 334 HH12 ARG 46 HH12 ARG 46 -16.069 2.565 -9.741 335 HH21 ARG 46 HH21 ARG 46 -13.107 3.134 -11.511 336 HH22 ARG 46 HH22 ARG 46 -14.827 2.923 -11.619 337 H GLY 47 H GLY 47 -13.377 3.546 -3.039 338 HA2 GLY 47 HA2 GLY 47 -11.725 2.589 -0.768 339 HA3 GLY 47 HA3 GLY 47 -13.232 3.485 -0.627 340 H ASP 48 H ASP 48 -13.046 1.061 -3.055 341 HA ASP 48 HA ASP 48 -15.341 -0.330 -2.093 342 HB2 ASP 48 HB2 ASP 48 -14.913 0.044 -4.509 343 HB3 ASP 48 HB3 ASP 48 -13.468 -0.954 -4.432 344 H VAL 49 H VAL 49 -12.165 -1.755 -3.015 345 HA VAL 49 HA VAL 49 -12.448 -3.853 -1.017 346 HB VAL 49 HB VAL 49 -10.060 -3.329 -2.858 347 HG11 VAL 49 HG11 VAL 49 -9.471 -4.737 -0.927 348 HG12 VAL 49 HG12 VAL 49 -9.467 -5.693 -2.408 349 HG13 VAL 49 HG13 VAL 49 -10.818 -5.826 -1.279 350 HG21 VAL 49 HG21 VAL 49 -12.097 -3.714 -4.189 351 HG22 VAL 49 HG22 VAL 49 -12.407 -5.214 -3.310 352 HG23 VAL 49 HG23 VAL 49 -10.980 -5.071 -4.339 353 H GLU 50 H GLU 50 -12.445 -2.706 0.876 354 HA GLU 50 HA GLU 50 -10.384 -0.824 1.623 355 HB2 GLU 50 HB2 GLU 50 -11.576 -0.744 3.786 356 HB3 GLU 50 HB3 GLU 50 -12.674 -0.540 2.429 357 HG2 GLU 50 HG2 GLU 50 -13.468 -2.841 2.659 358 HG3 GLU 50 HG3 GLU 50 -12.295 -3.151 3.938 359 H GLU 51 H GLU 51 -10.879 -4.228 1.922 360 HA GLU 51 HA GLU 51 -9.578 -4.867 4.298 361 HB2 GLU 51 HB2 GLU 51 -11.075 -6.358 2.974 362 HB3 GLU 51 HB3 GLU 51 -9.802 -6.563 1.777 363 HG2 GLU 51 HG2 GLU 51 -8.377 -7.599 3.548 364 HG3 GLU 51 HG3 GLU 51 -9.733 -7.475 4.671 365 H SER 52 H SER 52 -8.207 -4.307 1.090 366 HA SER 52 HA SER 52 -5.513 -5.157 1.970 367 HB2 SER 52 HB2 SER 52 -6.538 -4.590 -0.836 368 HB3 SER 52 HB3 SER 52 -4.974 -5.286 -0.406 369 HG SER 52 HG SER 52 -6.206 -7.024 0.574 370 H MET 53 H MET 53 -7.258 -2.441 2.076 371 HA MET 53 HA MET 53 -5.461 -0.526 0.829 372 HB2 MET 53 HB2 MET 53 -7.898 -0.086 0.872 373 HB3 MET 53 HB3 MET 53 -7.898 -0.120 2.630 374 HG2 MET 53 HG2 MET 53 -6.382 1.877 2.611 375 HG3 MET 53 HG3 MET 53 -6.566 1.951 0.857 376 HE1 MET 53 HE1 MET 53 -9.697 1.021 0.616 377 HE2 MET 53 HE2 MET 53 -8.990 2.328 -0.336 378 HE3 MET 53 HE3 MET 53 -10.472 2.605 0.576 379 H LEU 54 H LEU 54 -3.730 0.228 1.804 380 HA LEU 54 HA LEU 54 -3.332 -0.041 4.718 381 HB2 LEU 54 HB2 LEU 54 -1.282 -0.029 2.454 382 HB3 LEU 54 HB3 LEU 54 -0.889 -0.097 4.166 383 HG LEU 54 HG LEU 54 -2.353 -2.243 2.578 384 HD11 LEU 54 HD11 LEU 54 0.418 -2.269 3.823 385 HD12 LEU 54 HD12 LEU 54 0.056 -2.168 2.099 386 HD13 LEU 54 HD13 LEU 54 -0.361 -3.624 3.001 387 HD21 LEU 54 HD21 LEU 54 -3.249 -2.144 4.855 388 HD22 LEU 54 HD22 LEU 54 -1.618 -2.221 5.524 389 HD23 LEU 54 HD23 LEU 54 -2.273 -3.598 4.637 390 H LEU 55 H LEU 55 -2.630 1.694 5.815 391 HA LEU 55 HA LEU 55 -2.485 4.333 4.482 392 HB2 LEU 55 HB2 LEU 55 -4.101 3.961 6.383 393 HB3 LEU 55 HB3 LEU 55 -2.768 3.574 7.442 394 HG LEU 55 HG LEU 55 -3.797 5.867 7.774 395 HD11 LEU 55 HD11 LEU 55 -1.543 5.417 8.639 396 HD12 LEU 55 HD12 LEU 55 -1.713 7.096 8.130 397 HD13 LEU 55 HD13 LEU 55 -0.838 5.948 7.113 398 HD21 LEU 55 HD21 LEU 55 -2.488 6.575 5.125 399 HD22 LEU 55 HD22 LEU 55 -3.274 7.701 6.235 400 HD23 LEU 55 HD23 LEU 55 -4.223 6.459 5.424 401 H CYS 56 H CYS 56 -0.498 5.200 4.232 402 HA CYS 56 HA CYS 56 1.877 3.806 4.914 403 HB2 CYS 56 HB2 CYS 56 1.703 5.290 2.933 404 HB3 CYS 56 HB3 CYS 56 1.506 6.690 3.987 405 H ASP 57 H ASP 57 2.608 3.668 6.937 406 HA ASP 57 HA ASP 57 1.590 5.089 9.128 407 HB2 ASP 57 HB2 ASP 57 2.502 2.744 9.168 408 HB3 ASP 57 HB3 ASP 57 4.129 3.395 9.012 409 H GLY 58 H GLY 58 4.314 5.769 7.083 410 HA2 GLY 58 HA2 GLY 58 5.671 7.547 8.969 411 HA3 GLY 58 HA3 GLY 58 6.215 7.099 7.363 412 H CYS 59 H CYS 59 3.255 7.914 6.552 413 HA CYS 59 HA CYS 59 3.656 10.847 6.442 414 HB2 CYS 59 HB2 CYS 59 3.744 10.940 4.017 415 HB3 CYS 59 HB3 CYS 59 4.993 9.811 4.550 416 H ASP 60 H ASP 60 1.834 11.365 4.307 417 HA ASP 60 HA ASP 60 -0.723 10.275 5.257 418 HB2 ASP 60 HB2 ASP 60 -0.464 12.692 5.708 419 HB3 ASP 60 HB3 ASP 60 -0.011 12.987 4.037 420 H ASP 61 H ASP 61 -0.874 8.549 3.827 421 HA ASP 61 HA ASP 61 -1.995 9.064 1.297 422 HB2 ASP 61 HB2 ASP 61 0.693 9.158 0.953 423 HB3 ASP 61 HB3 ASP 61 0.518 7.418 0.893 424 H SER 62 H SER 62 -2.704 7.001 0.252 425 HA SER 62 HA SER 62 -2.526 4.593 1.930 426 HB2 SER 62 HB2 SER 62 -5.167 5.834 1.035 427 HB3 SER 62 HB3 SER 62 -5.008 4.210 1.707 428 HG SER 62 HG SER 62 -3.768 5.901 3.332 429 H TYR 63 H TYR 63 -2.283 2.795 0.792 430 HA TYR 63 HA TYR 63 -2.676 2.747 -2.151 431 HB2 TYR 63 HB2 TYR 63 -0.277 1.588 -0.629 432 HB3 TYR 63 HB3 TYR 63 -0.536 1.502 -2.365 433 HD1 TYR 63 HD1 TYR 63 0.151 3.912 0.432 434 HD2 TYR 63 HD2 TYR 63 0.344 3.223 -3.775 435 HE1 TYR 63 HE1 TYR 63 1.510 5.935 0.161 436 HE2 TYR 63 HE2 TYR 63 1.706 5.245 -4.045 437 HH TYR 63 HH TYR 63 2.024 7.415 -2.755 438 H HIS 64 H HIS 64 -3.674 0.799 -2.817 439 HA HIS 64 HA HIS 64 -4.227 -1.342 -0.955 440 HB2 HIS 64 HB2 HIS 64 -4.302 -1.386 -4.000 441 HB3 HIS 64 HB3 HIS 64 -4.816 -2.720 -2.992 442 HD2 HIS 64 HD2 HIS 64 -6.821 -1.316 -0.961 443 HE1 HIS 64 HE1 HIS 64 -8.719 0.079 -4.469 444 HE2 HIS 64 HE2 HIS 64 -9.053 -0.591 -2.050 445 H THR 65 H THR 65 -3.273 -3.430 -0.960 446 HA THR 65 HA THR 65 -0.504 -3.726 -1.277 447 HB THR 65 HB THR 65 -0.997 -6.211 -1.138 448 HG1 THR 65 HG1 THR 65 -3.136 -6.888 -1.092 449 HG21 THR 65 HG21 THR 65 -2.522 -4.489 0.861 450 HG22 THR 65 HG22 THR 65 -0.805 -4.884 0.944 451 HG23 THR 65 HG23 THR 65 -2.009 -6.160 1.121 452 H PHE 66 H PHE 66 -3.190 -4.452 -3.442 453 HA PHE 66 HA PHE 66 -1.476 -5.418 -5.602 454 HB2 PHE 66 HB2 PHE 66 -3.647 -5.957 -6.727 455 HB3 PHE 66 HB3 PHE 66 -3.436 -6.732 -5.168 456 HD1 PHE 66 HD1 PHE 66 -4.885 -6.121 -3.246 457 HD2 PHE 66 HD2 PHE 66 -5.390 -4.242 -7.044 458 HE1 PHE 66 HE1 PHE 66 -7.101 -5.308 -2.561 459 HE2 PHE 66 HE2 PHE 66 -7.599 -3.428 -6.348 460 HZ PHE 66 HZ PHE 66 -8.459 -3.961 -4.105 461 H CYS 67 H CYS 67 -2.146 -2.352 -4.657 462 HA CYS 67 HA CYS 67 -2.512 -1.132 -7.267 463 HB2 CYS 67 HB2 CYS 67 -1.628 0.006 -4.589 464 HB3 CYS 67 HB3 CYS 67 -1.696 0.985 -6.061 465 H LEU 68 H LEU 68 0.168 -1.837 -5.129 466 HA LEU 68 HA LEU 68 2.211 -0.725 -6.862 467 HB2 LEU 68 HB2 LEU 68 2.502 -2.430 -4.357 468 HB3 LEU 68 HB3 LEU 68 3.743 -1.421 -5.088 469 HG LEU 68 HG LEU 68 1.214 -0.443 -3.699 470 HD11 LEU 68 HD11 LEU 68 2.887 -1.283 -2.134 471 HD12 LEU 68 HD12 LEU 68 2.736 0.467 -2.005 472 HD13 LEU 68 HD13 LEU 68 4.115 -0.237 -2.853 473 HD21 LEU 68 HD21 LEU 68 2.103 1.841 -3.992 474 HD22 LEU 68 HD22 LEU 68 1.744 1.072 -5.536 475 HD23 LEU 68 HD23 LEU 68 3.416 1.202 -4.984 476 H LEU 69 H LEU 69 3.506 -1.922 -8.265 477 HA LEU 69 HA LEU 69 3.293 -4.863 -8.173 478 HB2 LEU 69 HB2 LEU 69 3.924 -4.644 -10.752 479 HB3 LEU 69 HB3 LEU 69 2.274 -4.629 -10.182 480 HG LEU 69 HG LEU 69 2.265 -2.125 -10.350 481 HD11 LEU 69 HD11 LEU 69 3.956 -0.961 -11.665 482 HD12 LEU 69 HD12 LEU 69 4.925 -2.432 -11.764 483 HD13 LEU 69 HD13 LEU 69 4.661 -1.651 -10.203 484 HD21 LEU 69 HD21 LEU 69 2.852 -3.647 -12.912 485 HD22 LEU 69 HD22 LEU 69 2.012 -2.096 -12.802 486 HD23 LEU 69 HD23 LEU 69 1.292 -3.538 -12.091 487 HA PRO 70 HA PRO 70 4.454 -6.822 -8.535 488 HB2 PRO 70 HB2 PRO 70 6.012 -8.215 -6.719 489 HB3 PRO 70 HB3 PRO 70 6.409 -8.082 -8.442 490 HG2 PRO 70 HG2 PRO 70 7.479 -6.485 -6.140 491 HG3 PRO 70 HG3 PRO 70 8.354 -7.229 -7.498 492 HD2 PRO 70 HD2 PRO 70 7.768 -4.595 -7.482 493 HD3 PRO 70 HD3 PRO 70 7.758 -5.537 -8.990 494 HA PRO 71 HA PRO 71 1.744 -5.708 -5.164 495 HB2 PRO 71 HB2 PRO 71 0.848 -8.590 -5.176 496 HB3 PRO 71 HB3 PRO 71 -0.106 -7.105 -5.400 497 HG2 PRO 71 HG2 PRO 71 0.433 -8.653 -7.479 498 HG3 PRO 71 HG3 PRO 71 0.505 -6.882 -7.640 499 HD2 PRO 71 HD2 PRO 71 2.780 -8.841 -7.319 500 HD3 PRO 71 HD3 PRO 71 2.634 -7.448 -8.418 501 H LEU 72 H LEU 72 1.490 -5.832 -2.945 502 HA LEU 72 HA LEU 72 3.693 -6.811 -1.416 503 HB2 LEU 72 HB2 LEU 72 1.019 -5.725 -0.439 504 HB3 LEU 72 HB3 LEU 72 2.494 -5.843 0.508 505 HG LEU 72 HG LEU 72 2.106 -4.032 -1.913 506 HD11 LEU 72 HD11 LEU 72 0.764 -3.263 -0.008 507 HD12 LEU 72 HD12 LEU 72 2.099 -2.159 -0.326 508 HD13 LEU 72 HD13 LEU 72 2.193 -3.286 1.029 509 HD21 LEU 72 HD21 LEU 72 4.444 -4.709 -1.705 510 HD22 LEU 72 HD22 LEU 72 4.462 -4.220 -0.010 511 HD23 LEU 72 HD23 LEU 72 4.257 -3.008 -1.278 512 H THR 73 H THR 73 3.932 -8.779 -0.558 513 HA THR 73 HA THR 73 2.184 -10.880 -1.264 514 HB THR 73 HB THR 73 4.467 -11.089 0.747 515 HG1 THR 73 HG1 THR 73 4.501 -10.608 -2.017 516 HG21 THR 73 HG21 THR 73 4.757 -13.353 -0.169 517 HG22 THR 73 HG22 THR 73 3.428 -13.101 -1.301 518 HG23 THR 73 HG23 THR 73 3.110 -13.165 0.435 519 H SER 74 H SER 74 2.804 -9.249 1.820 520 HA SER 74 HA SER 74 0.278 -10.254 2.895 521 HB2 SER 74 HB2 SER 74 2.958 -10.591 4.311 522 HB3 SER 74 HB3 SER 74 1.391 -10.816 5.092 523 HG SER 74 HG SER 74 1.075 -12.368 3.198 524 H ILE 75 H ILE 75 -0.650 -8.941 4.416 525 HA ILE 75 HA ILE 75 0.110 -6.155 4.523 526 HB ILE 75 HB ILE 75 -2.183 -7.726 5.788 527 HG12 ILE 75 HG12 ILE 75 -2.092 -5.676 3.523 528 HG13 ILE 75 HG13 ILE 75 -2.340 -7.409 3.342 529 HG21 ILE 75 HG21 ILE 75 -3.173 -5.559 6.517 530 HG22 ILE 75 HG22 ILE 75 -1.697 -4.731 6.021 531 HG23 ILE 75 HG23 ILE 75 -1.646 -5.899 7.337 532 HD11 ILE 75 HD11 ILE 75 -4.406 -6.257 3.060 533 HD12 ILE 75 HD12 ILE 75 -4.224 -5.429 4.604 534 HD13 ILE 75 HD13 ILE 75 -4.480 -7.177 4.562 535 HA PRO 76 HA PRO 76 2.454 -6.910 8.398 536 HB2 PRO 76 HB2 PRO 76 3.587 -4.222 8.132 537 HB3 PRO 76 HB3 PRO 76 4.370 -5.770 7.772 538 HG2 PRO 76 HG2 PRO 76 3.757 -3.918 5.853 539 HG3 PRO 76 HG3 PRO 76 3.890 -5.662 5.531 540 HD2 PRO 76 HD2 PRO 76 1.398 -4.022 6.028 541 HD3 PRO 76 HD3 PRO 76 1.720 -5.243 4.766 542 H LYS 77 H LYS 77 -0.247 -6.251 8.630 543 HA LYS 77 HA LYS 77 -1.868 -5.340 9.858 544 HB2 LYS 77 HB2 LYS 77 0.415 -4.621 11.725 545 HB3 LYS 77 HB3 LYS 77 -1.270 -4.372 12.146 546 HG2 LYS 77 HG2 LYS 77 0.067 -7.039 11.595 547 HG3 LYS 77 HG3 LYS 77 -0.388 -6.412 13.178 548 HD2 LYS 77 HD2 LYS 77 -2.327 -7.091 10.933 549 HD3 LYS 77 HD3 LYS 77 -1.988 -8.112 12.327 550 HE2 LYS 77 HE2 LYS 77 -2.910 -6.382 13.827 551 HE3 LYS 77 HE3 LYS 77 -3.225 -5.338 12.439 552 HZ1 LYS 77 HZ1 LYS 77 -4.469 -7.993 12.947 553 HZ2 LYS 77 HZ2 LYS 77 -4.751 -7.034 11.584 554 HZ3 LYS 77 HZ3 LYS 77 -5.222 -6.487 13.113 555 H GLY 78 H GLY 78 0.558 -2.838 10.596 556 HA2 GLY 78 HA2 GLY 78 -0.569 -0.908 8.761 557 HA3 GLY 78 HA3 GLY 78 -0.831 -0.541 10.468 558 H GLU 79 H GLU 79 1.919 -2.342 10.122 559 HA GLU 79 HA GLU 79 3.712 -0.148 10.747 560 HB2 GLU 79 HB2 GLU 79 4.115 -3.179 10.627 561 HB3 GLU 79 HB3 GLU 79 5.285 -2.026 11.264 562 HG2 GLU 79 HG2 GLU 79 3.727 -1.422 13.075 563 HG3 GLU 79 HG3 GLU 79 2.524 -2.532 12.418 564 H TRP 80 H TRP 80 2.868 0.143 8.144 565 HA TRP 80 HA TRP 80 4.920 -1.042 6.389 566 HB2 TRP 80 HB2 TRP 80 2.750 -2.100 5.945 567 HB3 TRP 80 HB3 TRP 80 1.954 -0.532 5.861 568 HD1 TRP 80 HD1 TRP 80 4.388 -2.743 3.804 569 HE1 TRP 80 HE1 TRP 80 4.348 -1.912 1.369 570 HE3 TRP 80 HE3 TRP 80 1.433 1.374 4.415 571 HZ2 TRP 80 HZ2 TRP 80 3.197 0.201 -0.098 572 HZ3 TRP 80 HZ3 TRP 80 0.898 2.756 2.436 573 HH2 TRP 80 HH2 TRP 80 1.773 2.170 0.229 574 H LEU 81 H LEU 81 6.077 0.415 5.365 575 HA LEU 81 HA LEU 81 5.223 3.235 5.130 576 HB2 LEU 81 HB2 LEU 81 8.006 2.009 4.878 577 HB3 LEU 81 HB3 LEU 81 7.635 3.723 4.752 578 HG LEU 81 HG LEU 81 7.393 2.000 7.250 579 HD11 LEU 81 HD11 LEU 81 9.261 4.325 6.664 580 HD12 LEU 81 HD12 LEU 81 9.716 2.619 6.703 581 HD13 LEU 81 HD13 LEU 81 9.164 3.414 8.175 582 HD21 LEU 81 HD21 LEU 81 5.561 3.632 7.192 583 HD22 LEU 81 HD22 LEU 81 6.718 4.942 6.936 584 HD23 LEU 81 HD23 LEU 81 6.734 4.031 8.446 585 H CYS 82 H CYS 82 4.942 4.103 3.141 586 HA CYS 82 HA CYS 82 4.972 2.531 0.754 587 HB2 CYS 82 HB2 CYS 82 4.411 4.660 -0.359 588 HB3 CYS 82 HB3 CYS 82 3.427 4.438 1.076 589 HA PRO 83 HA PRO 83 9.253 2.975 -0.468 590 HB2 PRO 83 HB2 PRO 83 9.075 3.374 -3.208 591 HB3 PRO 83 HB3 PRO 83 8.819 1.802 -2.422 592 HG2 PRO 83 HG2 PRO 83 6.761 3.816 -3.295 593 HG3 PRO 83 HG3 PRO 83 6.800 2.056 -3.557 594 HD2 PRO 83 HD2 PRO 83 5.299 3.089 -1.605 595 HD3 PRO 83 HD3 PRO 83 6.196 1.574 -1.346 596 H ARG 84 H ARG 84 7.002 5.509 -1.154 597 HA ARG 84 HA ARG 84 8.703 7.620 -1.930 598 HB2 ARG 84 HB2 ARG 84 6.024 7.677 -0.468 599 HB3 ARG 84 HB3 ARG 84 6.866 9.134 -0.977 600 HG2 ARG 84 HG2 ARG 84 5.081 8.648 -2.528 601 HG3 ARG 84 HG3 ARG 84 6.628 8.427 -3.344 602 HD2 ARG 84 HD2 ARG 84 6.416 6.034 -3.259 603 HD3 ARG 84 HD3 ARG 84 5.024 6.134 -2.173 604 HE ARG 84 HE ARG 84 3.961 7.375 -4.162 605 HH11 ARG 84 HH11 ARG 84 6.116 4.618 -4.496 606 HH12 ARG 84 HH12 ARG 84 5.410 4.101 -5.992 607 HH21 ARG 84 HH21 ARG 84 3.056 6.699 -6.095 608 HH22 ARG 84 HH22 ARG 84 3.672 5.283 -6.898 609 H CYS 85 H CYS 85 7.392 6.693 1.269 610 HA CYS 85 HA CYS 85 8.597 8.665 2.856 611 HB2 CYS 85 HB2 CYS 85 7.745 5.841 3.621 612 HB3 CYS 85 HB3 CYS 85 8.225 7.064 4.787 613 H VAL 86 H VAL 86 9.786 5.537 1.838 614 HA VAL 86 HA VAL 86 12.064 5.327 3.490 615 HB VAL 86 HB VAL 86 11.650 4.114 0.717 616 HG11 VAL 86 HG11 VAL 86 13.997 3.955 1.451 617 HG12 VAL 86 HG12 VAL 86 13.241 2.364 1.427 618 HG13 VAL 86 HG13 VAL 86 13.490 3.196 2.963 619 HG21 VAL 86 HG21 VAL 86 9.773 3.547 2.206 620 HG22 VAL 86 HG22 VAL 86 10.901 2.940 3.422 621 HG23 VAL 86 HG23 VAL 86 10.758 2.124 1.864 622 H VAL 87 H VAL 87 11.599 6.763 0.253 623 HA VAL 87 HA VAL 87 14.477 7.321 -0.009 624 HB VAL 87 HB VAL 87 14.026 7.881 -2.355 625 HG11 VAL 87 HG11 VAL 87 13.350 5.645 -3.155 626 HG12 VAL 87 HG12 VAL 87 12.731 5.247 -1.550 627 HG13 VAL 87 HG13 VAL 87 14.458 5.530 -1.785 628 HG21 VAL 87 HG21 VAL 87 11.095 7.311 -1.761 629 HG22 VAL 87 HG22 VAL 87 11.778 7.610 -3.362 630 HG23 VAL 87 HG23 VAL 87 11.788 8.887 -2.146 631 H GLU 88 H GLU 88 11.589 9.076 0.817 632 HA GLU 88 HA GLU 88 12.664 11.679 -0.009 633 HB2 GLU 88 HB2 GLU 88 10.561 12.664 0.628 634 HB3 GLU 88 HB3 GLU 88 10.196 11.179 -0.241 635 HG2 GLU 88 HG2 GLU 88 9.780 10.034 1.925 636 HG3 GLU 88 HG3 GLU 88 10.127 11.538 2.769 637 H GLU 89 H GLU 89 12.020 9.879 2.943 638 HA GLU 89 HA GLU 89 13.090 11.992 4.656 639 HB2 GLU 89 HB2 GLU 89 12.089 9.197 5.372 640 HB3 GLU 89 HB3 GLU 89 12.632 10.404 6.532 641 HG2 GLU 89 HG2 GLU 89 10.760 11.903 5.702 642 HG3 GLU 89 HG3 GLU 89 10.183 10.527 4.762 643 H VAL 90 H VAL 90 15.244 12.199 4.505 644 HA VAL 90 HA VAL 90 17.038 9.892 4.337 645 HB VAL 90 HB VAL 90 17.716 12.878 4.584 646 HG11 VAL 90 HG11 VAL 90 19.467 10.528 3.767 647 HG12 VAL 90 HG12 VAL 90 19.569 11.426 5.283 648 HG13 VAL 90 HG13 VAL 90 19.952 12.225 3.759 649 HG21 VAL 90 HG21 VAL 90 18.102 12.834 2.136 650 HG22 VAL 90 HG22 VAL 90 16.426 12.448 2.527 651 HG23 VAL 90 HG23 VAL 90 17.543 11.160 2.072 652 H SER 91 H SER 91 16.786 8.824 6.270 653 HA SER 91 HA SER 91 16.322 9.951 8.800 654 HB2 SER 91 HB2 SER 91 15.778 7.603 8.189 655 HB3 SER 91 HB3 SER 91 17.495 7.218 8.117 656 HG SER 91 HG SER 91 16.658 8.366 10.488 657 H LYS 92 H LYS 92 19.322 8.402 7.627 658 HA LYS 92 HA LYS 92 20.942 10.348 9.160 659 HB2 LYS 92 HB2 LYS 92 21.573 7.397 8.652 660 HB3 LYS 92 HB3 LYS 92 22.769 8.559 9.197 661 HG2 LYS 92 HG2 LYS 92 22.131 7.434 11.156 662 HG3 LYS 92 HG3 LYS 92 21.251 8.958 11.234 663 HD2 LYS 92 HD2 LYS 92 19.774 7.162 11.938 664 HD3 LYS 92 HD3 LYS 92 19.209 7.776 10.385 665 HE2 LYS 92 HE2 LYS 92 19.070 5.355 10.365 666 HE3 LYS 92 HE3 LYS 92 20.364 5.839 9.269 667 HZ1 LYS 92 HZ1 LYS 92 21.044 3.984 10.613 668 HZ2 LYS 92 HZ2 LYS 92 20.697 4.818 12.040 669 HZ3 LYS 92 HZ3 LYS 92 21.958 5.336 11.045 670 HA PRO 93 HA PRO 93 21.932 11.428 4.904 671 HB2 PRO 93 HB2 PRO 93 23.771 13.407 5.389 672 HB3 PRO 93 HB3 PRO 93 22.031 13.624 5.648 673 HG2 PRO 93 HG2 PRO 93 24.166 12.992 7.656 674 HG3 PRO 93 HG3 PRO 93 22.828 14.158 7.766 675 HD2 PRO 93 HD2 PRO 93 22.716 11.708 8.938 676 HD3 PRO 93 HD3 PRO 93 21.267 12.519 8.304 677 H GLN 94 H GLN 94 22.924 9.620 4.059 678 HA GLN 94 HA GLN 94 25.713 9.884 3.449 679 HB2 GLN 94 HB2 GLN 94 25.698 8.639 5.703 680 HB3 GLN 94 HB3 GLN 94 24.931 7.295 4.884 681 HG2 GLN 94 HG2 GLN 94 27.622 8.377 4.004 682 HG3 GLN 94 HG3 GLN 94 27.478 7.201 5.300 683 HE21 GLN 94 HE21 GLN 94 27.244 7.705 1.867 684 HE22 GLN 94 HE22 GLN 94 27.144 6.042 1.422 Start of MODEL 19 1 H1 SER 1 H1 SER 1 -33.928 40.253 -88.166 2 H2 SER 1 H2 SER 1 -32.872 40.687 -89.411 3 H3 SER 1 H3 SER 1 -34.402 41.400 -89.311 4 HA SER 1 HA SER 1 -32.708 42.908 -88.562 5 HB2 SER 1 HB2 SER 1 -33.746 43.384 -86.292 6 HB3 SER 1 HB3 SER 1 -34.920 43.137 -87.584 7 HG SER 1 HG SER 1 -34.291 41.488 -85.399 8 H HIS 2 H HIS 2 -30.971 43.393 -87.184 9 HA HIS 2 HA HIS 2 -29.272 41.224 -86.451 10 HB2 HIS 2 HB2 HIS 2 -27.726 43.017 -85.614 11 HB3 HIS 2 HB3 HIS 2 -28.267 43.280 -87.265 12 HD2 HIS 2 HD2 HIS 2 -27.822 45.266 -84.131 13 HE1 HIS 2 HE1 HIS 2 -30.893 47.223 -86.280 14 HE2 HIS 2 HE2 HIS 2 -29.464 47.268 -84.200 15 H MET 3 H MET 3 -29.855 39.961 -84.802 16 HA MET 3 HA MET 3 -31.248 40.778 -82.451 17 HB2 MET 3 HB2 MET 3 -31.364 38.456 -83.266 18 HB3 MET 3 HB3 MET 3 -29.633 38.256 -83.039 19 HG2 MET 3 HG2 MET 3 -29.929 38.465 -80.598 20 HG3 MET 3 HG3 MET 3 -31.664 38.686 -80.828 21 HE1 MET 3 HE1 MET 3 -28.640 36.160 -81.233 22 HE2 MET 3 HE2 MET 3 -29.329 36.183 -82.858 23 HE3 MET 3 HE3 MET 3 -29.472 34.739 -81.856 24 H SER 4 H SER 4 -30.187 42.440 -81.449 25 HA SER 4 HA SER 4 -27.380 42.474 -80.879 26 HB2 SER 4 HB2 SER 4 -28.009 44.534 -79.506 27 HB3 SER 4 HB3 SER 4 -28.508 44.607 -81.196 28 HG SER 4 HG SER 4 -30.167 43.848 -79.017 29 H GLY 5 H GLY 5 -26.992 40.559 -79.785 30 HA2 GLY 5 HA2 GLY 5 -28.398 39.853 -77.321 31 HA3 GLY 5 HA3 GLY 5 -27.166 38.918 -78.157 32 H GLY 6 H GLY 6 -27.493 42.057 -76.459 33 HA2 GLY 6 HA2 GLY 6 -24.833 42.160 -75.436 34 HA3 GLY 6 HA3 GLY 6 -26.220 43.055 -74.823 35 H SER 7 H SER 7 -27.364 42.280 -73.061 36 HA SER 7 HA SER 7 -27.495 39.632 -72.174 37 HB2 SER 7 HB2 SER 7 -26.177 39.856 -69.992 38 HB3 SER 7 HB3 SER 7 -25.176 39.773 -71.441 39 HG SER 7 HG SER 7 -25.349 42.213 -71.293 40 HA PRO 8 HA PRO 8 -30.865 42.139 -70.162 41 HB2 PRO 8 HB2 PRO 8 -32.464 39.855 -69.799 42 HB3 PRO 8 HB3 PRO 8 -32.532 40.899 -71.232 43 HG2 PRO 8 HG2 PRO 8 -31.082 38.296 -70.867 44 HG3 PRO 8 HG3 PRO 8 -32.017 38.875 -72.267 45 HD2 PRO 8 HD2 PRO 8 -29.326 38.948 -72.274 46 HD3 PRO 8 HD3 PRO 8 -30.272 40.247 -73.035 47 H LEU 9 H LEU 9 -30.691 42.498 -67.997 48 HA LEU 9 HA LEU 9 -28.953 40.877 -66.368 49 HB2 LEU 9 HB2 LEU 9 -30.557 43.366 -65.632 50 HB3 LEU 9 HB3 LEU 9 -29.401 42.574 -64.578 51 HG LEU 9 HG LEU 9 -27.621 43.085 -66.389 52 HD11 LEU 9 HD11 LEU 9 -29.745 44.989 -67.400 53 HD12 LEU 9 HD12 LEU 9 -29.085 43.594 -68.257 54 HD13 LEU 9 HD13 LEU 9 -28.048 44.970 -67.893 55 HD21 LEU 9 HD21 LEU 9 -28.862 45.421 -64.902 56 HD22 LEU 9 HD22 LEU 9 -27.218 45.348 -65.542 57 HD23 LEU 9 HD23 LEU 9 -27.705 44.261 -64.244 58 H ALA 10 H ALA 10 -30.269 38.949 -66.520 59 HA ALA 10 HA ALA 10 -32.837 38.744 -65.216 60 HB1 ALA 10 HB1 ALA 10 -32.645 36.322 -65.709 61 HB2 ALA 10 HB2 ALA 10 -30.975 36.555 -66.233 62 HB3 ALA 10 HB3 ALA 10 -32.294 37.295 -67.142 63 H THR 11 H THR 11 -32.313 39.604 -63.182 64 HA THR 11 HA THR 11 -30.103 38.689 -61.624 65 HB THR 11 HB THR 11 -32.409 40.481 -60.754 66 HG1 THR 11 HG1 THR 11 -30.336 40.924 -62.497 67 HG21 THR 11 HG21 THR 11 -29.569 40.224 -59.688 68 HG22 THR 11 HG22 THR 11 -31.037 39.697 -58.856 69 HG23 THR 11 HG23 THR 11 -30.762 41.413 -59.160 70 H GLY 12 H GLY 12 -30.505 36.461 -61.389 71 HA2 GLY 12 HA2 GLY 12 -32.636 35.461 -59.736 72 HA3 GLY 12 HA3 GLY 12 -31.148 34.620 -60.163 73 H THR 13 H THR 13 -32.721 35.426 -57.536 74 HA THR 13 HA THR 13 -30.942 37.066 -56.025 75 HB THR 13 HB THR 13 -32.352 36.258 -54.038 76 HG1 THR 13 HG1 THR 13 -32.963 34.238 -55.094 77 HG21 THR 13 HG21 THR 13 -33.859 37.418 -56.414 78 HG22 THR 13 HG22 THR 13 -32.903 38.347 -55.256 79 HG23 THR 13 HG23 THR 13 -34.364 37.513 -54.723 80 H THR 14 H THR 14 -28.928 36.131 -56.287 81 HA THR 14 HA THR 14 -28.355 33.621 -54.817 82 HB THR 14 HB THR 14 -26.802 34.817 -57.163 83 HG1 THR 14 HG1 THR 14 -29.011 33.190 -57.084 84 HG21 THR 14 HG21 THR 14 -25.367 33.444 -55.685 85 HG22 THR 14 HG22 THR 14 -25.633 32.633 -57.227 86 HG23 THR 14 HG23 THR 14 -26.520 32.106 -55.797 87 H ALA 15 H ALA 15 -28.019 34.631 -52.844 88 HA ALA 15 HA ALA 15 -25.478 35.842 -52.317 89 HB1 ALA 15 HB1 ALA 15 -26.644 37.876 -53.125 90 HB2 ALA 15 HB2 ALA 15 -26.308 37.993 -51.398 91 HB3 ALA 15 HB3 ALA 15 -27.940 37.612 -51.956 92 H ASN 16 H ASN 16 -25.226 34.208 -50.783 93 HA ASN 16 HA ASN 16 -27.209 33.881 -48.647 94 HB2 ASN 16 HB2 ASN 16 -25.847 31.960 -47.891 95 HB3 ASN 16 HB3 ASN 16 -26.266 31.811 -49.588 96 HD21 ASN 16 HD21 ASN 16 -24.608 32.114 -51.157 97 HD22 ASN 16 HD22 ASN 16 -22.946 31.936 -50.735 98 H THR 17 H THR 17 -27.126 35.167 -46.949 99 HA THR 17 HA THR 17 -24.801 36.795 -46.335 100 HB THR 17 HB THR 17 -27.547 36.744 -45.004 101 HG1 THR 17 HG1 THR 17 -26.682 37.697 -47.407 102 HG21 THR 17 HG21 THR 17 -25.849 37.829 -43.564 103 HG22 THR 17 HG22 THR 17 -26.956 39.030 -44.231 104 HG23 THR 17 HG23 THR 17 -25.342 38.851 -44.917 105 H ARG 18 H ARG 18 -23.258 35.697 -45.322 106 HA ARG 18 HA ARG 18 -23.762 33.758 -43.190 107 HB2 ARG 18 HB2 ARG 18 -21.142 34.730 -44.429 108 HB3 ARG 18 HB3 ARG 18 -21.328 33.352 -43.341 109 HG2 ARG 18 HG2 ARG 18 -22.610 32.126 -44.998 110 HG3 ARG 18 HG3 ARG 18 -22.658 33.526 -46.071 111 HD2 ARG 18 HD2 ARG 18 -21.014 31.885 -46.849 112 HD3 ARG 18 HD3 ARG 18 -20.216 33.388 -46.370 113 HE ARG 18 HE ARG 18 -20.297 31.495 -44.228 114 HH11 ARG 18 HH11 ARG 18 -18.492 32.263 -47.160 115 HH12 ARG 18 HH12 ARG 18 -17.053 31.474 -46.615 116 HH21 ARG 18 HH21 ARG 18 -18.426 30.446 -43.552 117 HH22 ARG 18 HH22 ARG 18 -17.021 30.439 -44.558 118 H GLY 19 H GLY 19 -23.118 34.077 -41.030 119 HA2 GLY 19 HA2 GLY 19 -21.589 36.144 -39.951 120 HA3 GLY 19 HA3 GLY 19 -23.251 36.730 -40.003 121 H ALA 20 H ALA 20 -21.197 34.112 -38.808 122 HA ALA 20 HA ALA 20 -22.667 33.995 -36.301 123 HB1 ALA 20 HB1 ALA 20 -22.488 31.519 -38.072 124 HB2 ALA 20 HB2 ALA 20 -23.960 32.422 -37.709 125 HB3 ALA 20 HB3 ALA 20 -23.110 31.569 -36.419 126 H SER 21 H SER 21 -20.729 34.765 -35.466 127 HA SER 21 HA SER 21 -18.745 32.792 -34.757 128 HB2 SER 21 HB2 SER 21 -16.806 34.226 -35.597 129 HB3 SER 21 HB3 SER 21 -17.747 33.438 -36.863 130 HG SER 21 HG SER 21 -18.235 36.104 -36.019 131 H GLN 22 H GLN 22 -18.511 33.108 -32.661 132 HA GLN 22 HA GLN 22 -17.820 35.714 -31.556 133 HB2 GLN 22 HB2 GLN 22 -19.406 35.467 -29.632 134 HB3 GLN 22 HB3 GLN 22 -20.234 35.699 -31.167 135 HG2 GLN 22 HG2 GLN 22 -20.737 33.292 -31.280 136 HG3 GLN 22 HG3 GLN 22 -19.872 33.031 -29.769 137 HE21 GLN 22 HE21 GLN 22 -20.930 35.413 -28.439 138 HE22 GLN 22 HE22 GLN 22 -22.584 35.070 -28.090 139 H LYS 23 H LYS 23 -16.563 35.525 -29.638 140 HA LYS 23 HA LYS 23 -15.141 32.992 -29.444 141 HB2 LYS 23 HB2 LYS 23 -13.936 35.205 -29.585 142 HB3 LYS 23 HB3 LYS 23 -14.592 35.622 -28.004 143 HG2 LYS 23 HG2 LYS 23 -13.396 33.749 -26.971 144 HG3 LYS 23 HG3 LYS 23 -12.787 33.238 -28.550 145 HD2 LYS 23 HD2 LYS 23 -11.543 35.408 -28.734 146 HD3 LYS 23 HD3 LYS 23 -12.113 35.849 -27.119 147 HE2 LYS 23 HE2 LYS 23 -10.967 33.845 -26.201 148 HE3 LYS 23 HE3 LYS 23 -10.358 33.471 -27.815 149 HZ1 LYS 23 HZ1 LYS 23 -8.719 34.619 -26.462 150 HZ2 LYS 23 HZ2 LYS 23 -9.764 35.940 -26.281 151 HZ3 LYS 23 HZ3 LYS 23 -9.153 35.550 -27.806 152 H LYS 24 H LYS 24 -16.395 31.557 -28.330 153 HA LYS 24 HA LYS 24 -16.976 32.132 -25.483 154 HB2 LYS 24 HB2 LYS 24 -18.770 30.579 -27.398 155 HB3 LYS 24 HB3 LYS 24 -18.994 30.667 -25.653 156 HG2 LYS 24 HG2 LYS 24 -19.170 33.219 -25.964 157 HG3 LYS 24 HG3 LYS 24 -19.317 32.882 -27.691 158 HD2 LYS 24 HD2 LYS 24 -21.542 33.128 -26.737 159 HD3 LYS 24 HD3 LYS 24 -21.314 31.440 -27.201 160 HE2 LYS 24 HE2 LYS 24 -20.835 30.864 -24.841 161 HE3 LYS 24 HE3 LYS 24 -21.040 32.557 -24.386 162 HZ1 LYS 24 HZ1 LYS 24 -23.347 32.415 -25.173 163 HZ2 LYS 24 HZ2 LYS 24 -23.034 31.332 -23.912 164 HZ3 LYS 24 HZ3 LYS 24 -23.135 30.771 -25.503 165 H GLY 25 H GLY 25 -15.463 30.993 -24.470 166 HA2 GLY 25 HA2 GLY 25 -15.398 28.388 -23.897 167 HA3 GLY 25 HA3 GLY 25 -14.513 28.398 -25.423 168 H GLY 26 H GLY 26 -14.610 30.454 -22.496 169 HA2 GLY 26 HA2 GLY 26 -11.669 30.194 -22.216 170 HA3 GLY 26 HA3 GLY 26 -12.409 31.788 -22.299 171 H GLU 27 H GLU 27 -12.660 28.712 -20.559 172 HA GLU 27 HA GLU 27 -12.822 28.132 -18.398 173 HB2 GLU 27 HB2 GLU 27 -11.023 29.694 -17.885 174 HB3 GLU 27 HB3 GLU 27 -12.156 31.038 -17.829 175 HG2 GLU 27 HG2 GLU 27 -13.269 29.894 -15.849 176 HG3 GLU 27 HG3 GLU 27 -11.931 28.741 -15.858 177 HA PRO 28 HA PRO 28 -17.038 29.451 -17.144 178 HB2 PRO 28 HB2 PRO 28 -17.661 26.706 -16.493 179 HB3 PRO 28 HB3 PRO 28 -18.257 27.630 -17.882 180 HG2 PRO 28 HG2 PRO 28 -16.554 25.430 -18.053 181 HG3 PRO 28 HG3 PRO 28 -16.788 26.641 -19.330 182 HD2 PRO 28 HD2 PRO 28 -14.569 26.434 -17.304 183 HD3 PRO 28 HD3 PRO 28 -14.496 26.903 -19.019 184 HA PRO 29 HA PRO 29 -14.592 29.352 -13.233 185 HB2 PRO 29 HB2 PRO 29 -15.706 31.568 -12.034 186 HB3 PRO 29 HB3 PRO 29 -14.505 31.680 -13.340 187 HG2 PRO 29 HG2 PRO 29 -17.499 31.911 -13.519 188 HG3 PRO 29 HG3 PRO 29 -16.249 32.920 -14.285 189 HD2 PRO 29 HD2 PRO 29 -17.538 30.953 -15.643 190 HD3 PRO 29 HD3 PRO 29 -15.845 31.373 -15.979 191 H ALA 30 H ALA 30 -15.569 27.366 -12.687 192 HA ALA 30 HA ALA 30 -16.971 27.242 -10.236 193 HB1 ALA 30 HB1 ALA 30 -18.963 27.765 -11.619 194 HB2 ALA 30 HB2 ALA 30 -19.068 26.119 -10.996 195 HB3 ALA 30 HB3 ALA 30 -18.608 26.400 -12.679 196 H LEU 31 H LEU 31 -14.627 26.208 -11.804 197 HA LEU 31 HA LEU 31 -15.015 23.289 -11.502 198 HB2 LEU 31 HB2 LEU 31 -14.934 24.017 -13.922 199 HB3 LEU 31 HB3 LEU 31 -13.330 24.668 -13.636 200 HG LEU 31 HG LEU 31 -12.565 22.309 -13.045 201 HD11 LEU 31 HD11 LEU 31 -13.923 20.406 -13.750 202 HD12 LEU 31 HD12 LEU 31 -15.268 21.487 -14.128 203 HD13 LEU 31 HD13 LEU 31 -14.701 21.322 -12.463 204 HD21 LEU 31 HD21 LEU 31 -12.076 23.289 -15.232 205 HD22 LEU 31 HD22 LEU 31 -13.612 22.690 -15.868 206 HD23 LEU 31 HD23 LEU 31 -12.357 21.554 -15.361 207 H ILE 32 H ILE 32 -14.229 23.766 -9.324 208 HA ILE 32 HA ILE 32 -11.499 22.919 -9.183 209 HB ILE 32 HB ILE 32 -10.970 25.282 -9.142 210 HG12 ILE 32 HG12 ILE 32 -10.807 24.159 -6.304 211 HG13 ILE 32 HG13 ILE 32 -9.672 23.835 -7.606 212 HG21 ILE 32 HG21 ILE 32 -11.866 26.900 -7.518 213 HG22 ILE 32 HG22 ILE 32 -12.940 25.660 -6.866 214 HG23 ILE 32 HG23 ILE 32 -13.150 26.224 -8.526 215 HD11 ILE 32 HD11 ILE 32 -10.133 26.507 -6.281 216 HD12 ILE 32 HD12 ILE 32 -9.012 26.193 -7.612 217 HD13 ILE 32 HD13 ILE 32 -8.760 25.426 -6.045 218 H VAL 33 H VAL 33 -11.617 21.248 -7.892 219 HA VAL 33 HA VAL 33 -12.327 21.351 -5.164 220 HB VAL 33 HB VAL 33 -14.677 21.212 -6.084 221 HG11 VAL 33 HG11 VAL 33 -13.870 18.483 -7.135 222 HG12 VAL 33 HG12 VAL 33 -14.245 19.909 -8.104 223 HG13 VAL 33 HG13 VAL 33 -15.507 19.146 -7.134 224 HG21 VAL 33 HG21 VAL 33 -15.475 19.397 -4.590 225 HG22 VAL 33 HG22 VAL 33 -14.224 20.378 -3.825 226 HG23 VAL 33 HG23 VAL 33 -13.823 18.782 -4.460 227 H ASP 34 H ASP 34 -11.574 19.451 -4.065 228 HA ASP 34 HA ASP 34 -10.247 17.393 -5.739 229 HB2 ASP 34 HB2 ASP 34 -9.598 18.404 -2.935 230 HB3 ASP 34 HB3 ASP 34 -8.933 16.901 -3.571 231 HA PRO 35 HA PRO 35 -13.451 14.639 -3.998 232 HB2 PRO 35 HB2 PRO 35 -11.921 12.442 -5.307 233 HB3 PRO 35 HB3 PRO 35 -13.575 13.002 -5.630 234 HG2 PRO 35 HG2 PRO 35 -11.593 13.433 -7.396 235 HG3 PRO 35 HG3 PRO 35 -12.884 14.633 -7.146 236 HD2 PRO 35 HD2 PRO 35 -10.084 14.614 -6.000 237 HD3 PRO 35 HD3 PRO 35 -10.974 15.950 -6.775 238 H LEU 36 H LEU 36 -10.236 14.890 -3.167 239 HA LEU 36 HA LEU 36 -9.812 12.715 -1.406 240 HB2 LEU 36 HB2 LEU 36 -8.631 15.521 -1.271 241 HB3 LEU 36 HB3 LEU 36 -7.988 14.094 -0.474 242 HG LEU 36 HG LEU 36 -8.066 14.594 -3.479 243 HD11 LEU 36 HD11 LEU 36 -5.698 14.521 -1.585 244 HD12 LEU 36 HD12 LEU 36 -6.398 15.958 -2.336 245 HD13 LEU 36 HD13 LEU 36 -5.632 14.730 -3.338 246 HD21 LEU 36 HD21 LEU 36 -8.378 12.210 -3.039 247 HD22 LEU 36 HD22 LEU 36 -6.956 12.184 -1.995 248 HD23 LEU 36 HD23 LEU 36 -6.782 12.503 -3.724 249 H MET 37 H MET 37 -11.820 12.547 -0.355 250 HA MET 37 HA MET 37 -11.868 14.016 2.209 251 HB2 MET 37 HB2 MET 37 -13.695 14.904 0.689 252 HB3 MET 37 HB3 MET 37 -14.385 13.291 0.613 253 HG2 MET 37 HG2 MET 37 -14.834 13.374 3.044 254 HG3 MET 37 HG3 MET 37 -14.121 14.983 3.123 255 HE1 MET 37 HE1 MET 37 -15.210 16.428 0.511 256 HE2 MET 37 HE2 MET 37 -15.263 17.172 2.109 257 HE3 MET 37 HE3 MET 37 -16.713 17.129 1.112 258 H LYS 38 H LYS 38 -11.143 11.328 0.779 259 HA LYS 38 HA LYS 38 -12.158 9.450 2.824 260 HB2 LYS 38 HB2 LYS 38 -11.974 8.970 -0.192 261 HB3 LYS 38 HB3 LYS 38 -12.353 7.734 0.996 262 HG2 LYS 38 HG2 LYS 38 -14.449 8.846 1.557 263 HG3 LYS 38 HG3 LYS 38 -14.059 10.187 0.474 264 HD2 LYS 38 HD2 LYS 38 -14.111 8.614 -1.464 265 HD3 LYS 38 HD3 LYS 38 -14.541 7.296 -0.370 266 HE2 LYS 38 HE2 LYS 38 -16.636 8.456 0.206 267 HE3 LYS 38 HE3 LYS 38 -16.200 9.790 -0.864 268 HZ1 LYS 38 HZ1 LYS 38 -16.710 6.982 -1.687 269 HZ2 LYS 38 HZ2 LYS 38 -16.216 8.227 -2.720 270 HZ3 LYS 38 HZ3 LYS 38 -17.720 8.313 -1.958 271 H TYR 39 H TYR 39 -10.760 7.301 2.508 272 HA TYR 39 HA TYR 39 -8.025 7.870 2.918 273 HB2 TYR 39 HB2 TYR 39 -9.466 5.252 2.351 274 HB3 TYR 39 HB3 TYR 39 -7.755 5.337 2.755 275 HD1 TYR 39 HD1 TYR 39 -11.187 6.034 4.104 276 HD2 TYR 39 HD2 TYR 39 -7.050 5.492 5.036 277 HE1 TYR 39 HE1 TYR 39 -11.743 5.898 6.498 278 HE2 TYR 39 HE2 TYR 39 -7.608 5.364 7.425 279 HH TYR 39 HH TYR 39 -9.368 6.077 8.943 280 H ILE 40 H ILE 40 -9.516 6.024 0.303 281 HA ILE 40 HA ILE 40 -9.229 5.814 -1.914 282 HB ILE 40 HB ILE 40 -7.818 8.511 -1.760 283 HG12 ILE 40 HG12 ILE 40 -10.746 7.930 -2.415 284 HG13 ILE 40 HG13 ILE 40 -10.163 8.501 -0.861 285 HG21 ILE 40 HG21 ILE 40 -8.370 8.786 -4.161 286 HG22 ILE 40 HG22 ILE 40 -8.984 7.131 -4.203 287 HG23 ILE 40 HG23 ILE 40 -7.273 7.432 -3.888 288 HD11 ILE 40 HD11 ILE 40 -9.973 10.048 -3.457 289 HD12 ILE 40 HD12 ILE 40 -9.449 10.602 -1.863 290 HD13 ILE 40 HD13 ILE 40 -11.155 10.299 -2.172 291 H CYS 41 H CYS 41 -7.962 4.132 -2.412 292 HA CYS 41 HA CYS 41 -5.108 4.069 -2.343 293 HB2 CYS 41 HB2 CYS 41 -6.323 1.971 -2.152 294 HB3 CYS 41 HB3 CYS 41 -7.239 2.289 -3.617 295 H HIS 42 H HIS 42 -4.509 5.869 -3.388 296 HA HIS 42 HA HIS 42 -5.499 7.306 -5.443 297 HB2 HIS 42 HB2 HIS 42 -3.514 8.020 -4.179 298 HB3 HIS 42 HB3 HIS 42 -2.521 6.833 -5.017 299 HD1 HIS 42 HD1 HIS 42 -1.884 7.360 -7.501 300 HD2 HIS 42 HD2 HIS 42 -4.044 10.368 -5.618 301 HE1 HIS 42 HE1 HIS 42 -1.665 9.381 -8.973 302 HE2 HIS 42 HE2 HIS 42 -2.786 11.219 -7.690 303 H ILE 43 H ILE 43 -3.382 4.500 -5.900 304 HA ILE 43 HA ILE 43 -3.019 4.530 -8.657 305 HB ILE 43 HB ILE 43 -3.104 2.206 -6.688 306 HG12 ILE 43 HG12 ILE 43 -0.751 3.681 -7.977 307 HG13 ILE 43 HG13 ILE 43 -1.324 3.925 -6.334 308 HG21 ILE 43 HG21 ILE 43 -2.156 2.106 -9.573 309 HG22 ILE 43 HG22 ILE 43 -3.568 1.279 -8.914 310 HG23 ILE 43 HG23 ILE 43 -1.952 0.818 -8.382 311 HD11 ILE 43 HD11 ILE 43 -0.699 1.596 -5.802 312 HD12 ILE 43 HD12 ILE 43 0.663 2.585 -6.320 313 HD13 ILE 43 HD13 ILE 43 -0.052 1.420 -7.436 314 H CYS 44 H CYS 44 -5.661 2.876 -6.809 315 HA CYS 44 HA CYS 44 -6.935 2.130 -9.406 316 HB2 CYS 44 HB2 CYS 44 -8.269 0.522 -8.002 317 HB3 CYS 44 HB3 CYS 44 -6.527 0.230 -7.945 318 H ASN 45 H ASN 45 -7.064 4.562 -7.222 319 HA ASN 45 HA ASN 45 -8.433 6.271 -6.726 320 HB2 ASN 45 HB2 ASN 45 -9.981 5.242 -9.138 321 HB3 ASN 45 HB3 ASN 45 -10.325 6.771 -8.338 322 HD21 ASN 45 HD21 ASN 45 -7.913 5.012 -10.200 323 HD22 ASN 45 HD22 ASN 45 -7.071 6.407 -10.767 324 H ARG 46 H ARG 46 -9.135 3.338 -5.793 325 HA ARG 46 HA ARG 46 -11.956 3.507 -5.136 326 HB2 ARG 46 HB2 ARG 46 -9.843 1.489 -4.273 327 HB3 ARG 46 HB3 ARG 46 -11.569 1.334 -3.966 328 HG2 ARG 46 HG2 ARG 46 -10.243 1.322 -6.700 329 HG3 ARG 46 HG3 ARG 46 -10.830 -0.091 -5.820 330 HD2 ARG 46 HD2 ARG 46 -13.142 0.842 -5.933 331 HD3 ARG 46 HD3 ARG 46 -12.519 2.192 -6.893 332 HE ARG 46 HE ARG 46 -11.968 -0.475 -7.917 333 HH11 ARG 46 HH11 ARG 46 -14.096 2.330 -8.119 334 HH12 ARG 46 HH12 ARG 46 -14.715 1.883 -9.673 335 HH21 ARG 46 HH21 ARG 46 -12.816 -1.053 -9.923 336 HH22 ARG 46 HH22 ARG 46 -13.988 -0.036 -10.694 337 H GLY 47 H GLY 47 -12.545 4.843 -3.558 338 HA2 GLY 47 HA2 GLY 47 -11.113 4.835 -0.945 339 HA3 GLY 47 HA3 GLY 47 -12.105 6.173 -1.537 340 H ASP 48 H ASP 48 -12.242 2.755 -0.466 341 HA ASP 48 HA ASP 48 -14.968 2.707 0.182 342 HB2 ASP 48 HB2 ASP 48 -15.337 3.032 -2.237 343 HB3 ASP 48 HB3 ASP 48 -14.256 1.696 -2.614 344 H VAL 49 H VAL 49 -12.275 0.869 -1.262 345 HA VAL 49 HA VAL 49 -12.803 -1.447 0.486 346 HB VAL 49 HB VAL 49 -10.693 -1.270 -1.727 347 HG11 VAL 49 HG11 VAL 49 -10.729 -3.747 -1.614 348 HG12 VAL 49 HG12 VAL 49 -11.895 -3.674 -0.292 349 HG13 VAL 49 HG13 VAL 49 -10.267 -3.030 -0.068 350 HG21 VAL 49 HG21 VAL 49 -13.517 -2.388 -1.966 351 HG22 VAL 49 HG22 VAL 49 -12.253 -2.490 -3.197 352 HG23 VAL 49 HG23 VAL 49 -12.913 -0.918 -2.740 353 H GLU 50 H GLU 50 -12.168 -0.117 2.367 354 HA GLU 50 HA GLU 50 -9.346 0.443 2.774 355 HB2 GLU 50 HB2 GLU 50 -11.754 0.587 4.621 356 HB3 GLU 50 HB3 GLU 50 -10.117 0.835 5.212 357 HG2 GLU 50 HG2 GLU 50 -11.189 2.981 4.792 358 HG3 GLU 50 HG3 GLU 50 -9.829 2.748 3.695 359 H GLU 51 H GLU 51 -11.448 -2.249 3.160 360 HA GLU 51 HA GLU 51 -10.268 -3.838 5.070 361 HB2 GLU 51 HB2 GLU 51 -12.391 -4.276 3.882 362 HB3 GLU 51 HB3 GLU 51 -11.507 -4.636 2.403 363 HG2 GLU 51 HG2 GLU 51 -10.492 -6.610 3.488 364 HG3 GLU 51 HG3 GLU 51 -11.361 -6.237 4.979 365 H SER 52 H SER 52 -9.225 -3.395 1.706 366 HA SER 52 HA SER 52 -6.847 -5.110 2.124 367 HB2 SER 52 HB2 SER 52 -8.221 -5.585 0.116 368 HB3 SER 52 HB3 SER 52 -7.992 -3.930 -0.451 369 HG SER 52 HG SER 52 -6.133 -6.047 -0.308 370 H MET 53 H MET 53 -7.530 -1.985 2.714 371 HA MET 53 HA MET 53 -5.227 -0.776 1.317 372 HB2 MET 53 HB2 MET 53 -7.455 0.278 0.983 373 HB3 MET 53 HB3 MET 53 -7.574 0.583 2.708 374 HG2 MET 53 HG2 MET 53 -5.574 2.058 2.548 375 HG3 MET 53 HG3 MET 53 -5.546 1.790 0.804 376 HE1 MET 53 HE1 MET 53 -8.887 1.735 0.376 377 HE2 MET 53 HE2 MET 53 -7.729 2.426 -0.762 378 HE3 MET 53 HE3 MET 53 -9.066 3.404 -0.165 379 H LEU 54 H LEU 54 -3.545 -0.054 2.393 380 HA LEU 54 HA LEU 54 -3.348 -0.334 5.319 381 HB2 LEU 54 HB2 LEU 54 -1.160 -0.311 3.179 382 HB3 LEU 54 HB3 LEU 54 -0.848 -0.336 4.906 383 HG LEU 54 HG LEU 54 -2.071 -2.582 5.001 384 HD11 LEU 54 HD11 LEU 54 -2.296 -3.882 2.944 385 HD12 LEU 54 HD12 LEU 54 -1.824 -2.474 1.988 386 HD13 LEU 54 HD13 LEU 54 -3.324 -2.452 2.918 387 HD21 LEU 54 HD21 LEU 54 0.462 -2.458 3.339 388 HD22 LEU 54 HD22 LEU 54 -0.134 -3.869 4.215 389 HD23 LEU 54 HD23 LEU 54 0.366 -2.431 5.101 390 H LEU 55 H LEU 55 -2.334 1.317 6.519 391 HA LEU 55 HA LEU 55 -2.261 3.980 5.261 392 HB2 LEU 55 HB2 LEU 55 -2.954 3.018 8.001 393 HB3 LEU 55 HB3 LEU 55 -1.963 4.465 7.984 394 HG LEU 55 HG LEU 55 -4.321 5.069 8.104 395 HD11 LEU 55 HD11 LEU 55 -3.130 5.770 5.390 396 HD12 LEU 55 HD12 LEU 55 -2.809 6.591 6.920 397 HD13 LEU 55 HD13 LEU 55 -4.426 6.647 6.219 398 HD21 LEU 55 HD21 LEU 55 -5.918 4.559 6.319 399 HD22 LEU 55 HD22 LEU 55 -5.295 3.076 7.031 400 HD23 LEU 55 HD23 LEU 55 -4.701 3.611 5.458 401 H CYS 56 H CYS 56 -0.445 5.140 5.134 402 HA CYS 56 HA CYS 56 2.098 3.906 5.654 403 HB2 CYS 56 HB2 CYS 56 1.624 5.207 3.582 404 HB3 CYS 56 HB3 CYS 56 1.440 6.676 4.553 405 H ASP 57 H ASP 57 3.406 4.304 7.385 406 HA ASP 57 HA ASP 57 2.499 5.982 9.541 407 HB2 ASP 57 HB2 ASP 57 3.632 3.879 10.045 408 HB3 ASP 57 HB3 ASP 57 5.073 4.397 9.175 409 H GLY 58 H GLY 58 5.247 6.096 7.265 410 HA2 GLY 58 HA2 GLY 58 6.615 8.270 8.482 411 HA3 GLY 58 HA3 GLY 58 6.928 7.596 6.896 412 H CYS 59 H CYS 59 3.962 8.204 6.343 413 HA CYS 59 HA CYS 59 3.601 11.009 6.310 414 HB2 CYS 59 HB2 CYS 59 3.709 11.267 3.740 415 HB3 CYS 59 HB3 CYS 59 5.250 11.182 4.581 416 H ASP 60 H ASP 60 1.699 11.445 4.433 417 HA ASP 60 HA ASP 60 -0.432 9.708 5.453 418 HB2 ASP 60 HB2 ASP 60 -0.690 12.144 5.843 419 HB3 ASP 60 HB3 ASP 60 -0.544 12.450 4.110 420 H ASP 61 H ASP 61 -0.205 7.957 4.101 421 HA ASP 61 HA ASP 61 -1.217 8.314 1.336 422 HB2 ASP 61 HB2 ASP 61 0.856 6.163 1.962 423 HB3 ASP 61 HB3 ASP 61 0.342 6.752 0.398 424 H SER 62 H SER 62 -2.555 6.633 0.637 425 HA SER 62 HA SER 62 -3.069 4.344 2.426 426 HB2 SER 62 HB2 SER 62 -5.274 6.085 1.194 427 HB3 SER 62 HB3 SER 62 -5.506 4.642 2.180 428 HG SER 62 HG SER 62 -4.001 6.173 3.633 429 H TYR 63 H TYR 63 -2.913 2.532 1.242 430 HA TYR 63 HA TYR 63 -3.601 2.441 -1.615 431 HB2 TYR 63 HB2 TYR 63 -0.771 1.971 -0.563 432 HB3 TYR 63 HB3 TYR 63 -1.318 1.387 -2.126 433 HD1 TYR 63 HD2 TYR 63 -1.920 3.047 -3.935 434 HD2 TYR 63 HD1 TYR 63 -0.079 4.281 -0.288 435 HE1 TYR 63 HE2 TYR 63 -1.206 5.147 -4.992 436 HE2 TYR 63 HE1 TYR 63 0.637 6.375 -1.345 437 HH TYR 63 HH TYR 63 1.092 7.240 -3.569 438 H HIS 64 H HIS 64 -4.033 0.373 -2.347 439 HA HIS 64 HA HIS 64 -4.516 -1.743 -0.442 440 HB2 HIS 64 HB2 HIS 64 -4.657 -1.800 -3.486 441 HB3 HIS 64 HB3 HIS 64 -5.221 -3.079 -2.429 442 HD2 HIS 64 HD2 HIS 64 -7.049 -1.327 -0.383 443 HE1 HIS 64 HE1 HIS 64 -9.057 -0.231 -3.907 444 HE2 HIS 64 HE2 HIS 64 -9.145 -0.224 -1.401 445 H THR 65 H THR 65 -3.538 -3.834 -0.478 446 HA THR 65 HA THR 65 -0.777 -4.105 -0.893 447 HB THR 65 HB THR 65 -1.357 -6.672 -0.885 448 HG1 THR 65 HG1 THR 65 -3.402 -7.165 -0.943 449 HG21 THR 65 HG21 THR 65 -2.255 -4.976 1.463 450 HG22 THR 65 HG22 THR 65 -0.594 -5.473 1.136 451 HG23 THR 65 HG23 THR 65 -1.821 -6.681 1.524 452 H PHE 66 H PHE 66 -3.495 -5.185 -2.910 453 HA PHE 66 HA PHE 66 -1.860 -6.426 -4.904 454 HB2 PHE 66 HB2 PHE 66 -3.998 -6.848 -6.105 455 HB3 PHE 66 HB3 PHE 66 -4.099 -7.325 -4.421 456 HD1 PHE 66 HD2 PHE 66 -5.302 -4.890 -6.947 457 HD2 PHE 66 HD1 PHE 66 -5.641 -6.194 -2.881 458 HE1 PHE 66 HE2 PHE 66 -7.375 -3.591 -6.691 459 HE2 PHE 66 HE1 PHE 66 -7.719 -4.895 -2.656 460 HZ PHE 66 HZ PHE 66 -8.591 -3.593 -4.542 461 H CYS 67 H CYS 67 -2.715 -3.138 -4.408 462 HA CYS 67 HA CYS 67 -2.815 -2.416 -7.255 463 HB2 CYS 67 HB2 CYS 67 -3.102 -0.746 -4.721 464 HB3 CYS 67 HB3 CYS 67 -3.134 -0.050 -6.347 465 H LEU 68 H LEU 68 -0.489 -2.598 -4.754 466 HA LEU 68 HA LEU 68 1.261 -0.461 -5.677 467 HB2 LEU 68 HB2 LEU 68 1.377 -2.448 -3.393 468 HB3 LEU 68 HB3 LEU 68 2.730 -1.381 -3.738 469 HG LEU 68 HG LEU 68 -0.074 -0.340 -3.170 470 HD11 LEU 68 HD11 LEU 68 0.650 0.167 -0.894 471 HD12 LEU 68 HD12 LEU 68 2.179 -0.675 -1.175 472 HD13 LEU 68 HD13 LEU 68 0.654 -1.565 -1.212 473 HD21 LEU 68 HD21 LEU 68 1.386 1.213 -4.405 474 HD22 LEU 68 HD22 LEU 68 2.619 1.085 -3.144 475 HD23 LEU 68 HD23 LEU 68 1.047 1.802 -2.781 476 H LEU 69 H LEU 69 1.048 -2.226 -7.794 477 HA LEU 69 HA LEU 69 2.775 -4.430 -7.893 478 HB2 LEU 69 HB2 LEU 69 1.732 -2.724 -10.166 479 HB3 LEU 69 HB3 LEU 69 2.751 -4.127 -10.433 480 HG LEU 69 HG LEU 69 0.932 -5.459 -9.086 481 HD11 LEU 69 HD11 LEU 69 -0.765 -3.088 -9.879 482 HD12 LEU 69 HD12 LEU 69 -0.307 -3.539 -8.234 483 HD13 LEU 69 HD13 LEU 69 -1.334 -4.610 -9.185 484 HD21 LEU 69 HD21 LEU 69 0.265 -4.481 -11.878 485 HD22 LEU 69 HD22 LEU 69 -0.349 -5.940 -11.096 486 HD23 LEU 69 HD23 LEU 69 1.364 -5.804 -11.475 487 HA PRO 70 HA PRO 70 4.680 -5.756 -8.462 488 HB2 PRO 70 HB2 PRO 70 6.881 -6.235 -6.870 489 HB3 PRO 70 HB3 PRO 70 7.005 -5.969 -8.622 490 HG2 PRO 70 HG2 PRO 70 7.440 -4.000 -6.385 491 HG3 PRO 70 HG3 PRO 70 8.438 -4.297 -7.828 492 HD2 PRO 70 HD2 PRO 70 6.703 -2.219 -7.717 493 HD3 PRO 70 HD3 PRO 70 7.011 -3.096 -9.236 494 HA PRO 71 HA PRO 71 2.151 -4.872 -4.925 495 HB2 PRO 71 HB2 PRO 71 0.505 -7.039 -4.913 496 HB3 PRO 71 HB3 PRO 71 0.514 -5.878 -6.260 497 HG2 PRO 71 HG2 PRO 71 1.853 -8.566 -6.094 498 HG3 PRO 71 HG3 PRO 71 0.916 -7.860 -7.431 499 HD2 PRO 71 HD2 PRO 71 3.664 -7.849 -7.346 500 HD3 PRO 71 HD3 PRO 71 2.712 -6.626 -8.214 501 H LEU 72 H LEU 72 1.544 -5.471 -2.775 502 HA LEU 72 HA LEU 72 3.575 -6.866 -1.265 503 HB2 LEU 72 HB2 LEU 72 0.923 -5.694 -0.308 504 HB3 LEU 72 HB3 LEU 72 2.266 -6.165 0.720 505 HG LEU 72 HG LEU 72 2.365 -3.871 -1.288 506 HD11 LEU 72 HD11 LEU 72 2.186 -2.360 0.648 507 HD12 LEU 72 HD12 LEU 72 1.901 -3.741 1.708 508 HD13 LEU 72 HD13 LEU 72 0.741 -3.345 0.437 509 HD21 LEU 72 HD21 LEU 72 4.309 -4.609 0.932 510 HD22 LEU 72 HD22 LEU 72 4.426 -3.202 -0.130 511 HD23 LEU 72 HD23 LEU 72 4.576 -4.823 -0.799 512 H THR 73 H THR 73 3.290 -8.992 -2.239 513 HA THR 73 HA THR 73 0.929 -10.511 -2.234 514 HB THR 73 HB THR 73 2.848 -11.136 -3.600 515 HG1 THR 73 HG1 THR 73 1.312 -12.793 -2.426 516 HG21 THR 73 HG21 THR 73 4.702 -10.577 -2.078 517 HG22 THR 73 HG22 THR 73 4.846 -12.234 -2.666 518 HG23 THR 73 HG23 THR 73 4.262 -11.928 -1.029 519 H SER 74 H SER 74 3.183 -9.876 0.334 520 HA SER 74 HA SER 74 1.291 -11.121 2.241 521 HB2 SER 74 HB2 SER 74 3.471 -12.314 2.349 522 HB3 SER 74 HB3 SER 74 4.298 -10.790 2.650 523 HG SER 74 HG SER 74 3.320 -12.397 4.440 524 H ILE 75 H ILE 75 0.552 -9.741 3.756 525 HA ILE 75 HA ILE 75 0.800 -6.928 3.348 526 HB ILE 75 HB ILE 75 -0.585 -8.410 5.625 527 HG12 ILE 75 HG12 ILE 75 -1.645 -7.592 2.880 528 HG13 ILE 75 HG13 ILE 75 -1.447 -9.228 3.495 529 HG21 ILE 75 HG21 ILE 75 -1.046 -5.572 4.620 530 HG22 ILE 75 HG22 ILE 75 -0.257 -6.019 6.133 531 HG23 ILE 75 HG23 ILE 75 -1.964 -6.385 5.894 532 HD11 ILE 75 HD11 ILE 75 -3.428 -7.176 4.512 533 HD12 ILE 75 HD12 ILE 75 -3.226 -8.818 5.134 534 HD13 ILE 75 HD13 ILE 75 -3.779 -8.564 3.480 535 HA PRO 76 HA PRO 76 4.405 -6.108 6.146 536 HB2 PRO 76 HB2 PRO 76 2.959 -3.439 6.013 537 HB3 PRO 76 HB3 PRO 76 4.701 -3.779 5.899 538 HG2 PRO 76 HG2 PRO 76 3.300 -3.236 3.726 539 HG3 PRO 76 HG3 PRO 76 4.560 -4.493 3.691 540 HD2 PRO 76 HD2 PRO 76 1.584 -4.806 3.706 541 HD3 PRO 76 HD3 PRO 76 2.819 -5.832 2.951 542 H LYS 77 H LYS 77 4.359 -6.524 8.224 543 HA LYS 77 HA LYS 77 2.278 -7.079 9.842 544 HB2 LYS 77 HB2 LYS 77 4.972 -6.040 10.783 545 HB3 LYS 77 HB3 LYS 77 3.874 -7.066 11.706 546 HG2 LYS 77 HG2 LYS 77 4.245 -8.936 10.204 547 HG3 LYS 77 HG3 LYS 77 5.144 -7.918 9.075 548 HD2 LYS 77 HD2 LYS 77 6.845 -7.561 10.961 549 HD3 LYS 77 HD3 LYS 77 6.000 -8.839 11.843 550 HE2 LYS 77 HE2 LYS 77 7.947 -9.757 10.662 551 HE3 LYS 77 HE3 LYS 77 6.460 -10.410 9.971 552 HZ1 LYS 77 HZ1 LYS 77 6.632 -8.790 8.175 553 HZ2 LYS 77 HZ2 LYS 77 8.021 -9.750 8.253 554 HZ3 LYS 77 HZ3 LYS 77 8.057 -8.167 8.843 555 H GLY 78 H GLY 78 0.730 -5.383 9.438 556 HA2 GLY 78 HA2 GLY 78 -0.720 -3.995 10.598 557 HA3 GLY 78 HA3 GLY 78 0.564 -3.593 11.725 558 H GLU 79 H GLU 79 2.186 -2.058 11.048 559 HA GLU 79 HA GLU 79 0.957 0.098 9.469 560 HB2 GLU 79 HB2 GLU 79 3.218 0.122 11.514 561 HB3 GLU 79 HB3 GLU 79 2.601 1.555 10.684 562 HG2 GLU 79 HG2 GLU 79 0.410 1.280 11.708 563 HG3 GLU 79 HG3 GLU 79 0.880 -0.263 12.409 564 H TRP 80 H TRP 80 1.718 0.687 7.575 565 HA TRP 80 HA TRP 80 4.019 -0.726 6.402 566 HB2 TRP 80 HB2 TRP 80 1.992 -1.237 5.268 567 HB3 TRP 80 HB3 TRP 80 1.398 0.411 5.363 568 HD1 TRP 80 HD1 TRP 80 4.185 -1.553 3.437 569 HE1 TRP 80 HE1 TRP 80 4.363 -0.525 1.089 570 HE3 TRP 80 HE3 TRP 80 0.841 2.270 3.973 571 HZ2 TRP 80 HZ2 TRP 80 3.240 1.620 -0.352 572 HZ3 TRP 80 HZ3 TRP 80 0.442 3.769 2.057 573 HH2 TRP 80 HH2 TRP 80 1.626 3.446 -0.059 574 H LEU 81 H LEU 81 5.574 0.400 5.159 575 HA LEU 81 HA LEU 81 5.558 3.368 5.263 576 HB2 LEU 81 HB2 LEU 81 7.923 1.446 5.207 577 HB3 LEU 81 HB3 LEU 81 8.081 3.179 4.970 578 HG LEU 81 HG LEU 81 7.098 1.827 7.519 579 HD11 LEU 81 HD11 LEU 81 9.497 1.471 7.138 580 HD12 LEU 81 HD12 LEU 81 9.212 2.532 8.513 581 HD13 LEU 81 HD13 LEU 81 9.745 3.213 6.974 582 HD21 LEU 81 HD21 LEU 81 7.610 4.772 6.979 583 HD22 LEU 81 HD22 LEU 81 7.192 4.056 8.538 584 HD23 LEU 81 HD23 LEU 81 6.033 4.009 7.214 585 H CYS 82 H CYS 82 5.417 4.344 3.337 586 HA CYS 82 HA CYS 82 5.259 2.841 0.874 587 HB2 CYS 82 HB2 CYS 82 4.767 5.086 -0.130 588 HB3 CYS 82 HB3 CYS 82 3.749 4.762 1.277 589 HA PRO 83 HA PRO 83 9.466 3.521 -0.937 590 HB2 PRO 83 HB2 PRO 83 7.903 4.927 -3.127 591 HB3 PRO 83 HB3 PRO 83 9.224 3.741 -3.265 592 HG2 PRO 83 HG2 PRO 83 6.725 2.927 -3.641 593 HG3 PRO 83 HG3 PRO 83 7.858 1.924 -2.710 594 HD2 PRO 83 HD2 PRO 83 5.589 3.615 -1.708 595 HD3 PRO 83 HD3 PRO 83 6.203 2.062 -1.095 596 H ARG 84 H ARG 84 7.132 6.213 -0.880 597 HA ARG 84 HA ARG 84 8.907 8.406 -1.025 598 HB2 ARG 84 HB2 ARG 84 6.195 8.193 0.358 599 HB3 ARG 84 HB3 ARG 84 7.036 9.713 0.070 600 HG2 ARG 84 HG2 ARG 84 6.791 9.499 -2.304 601 HG3 ARG 84 HG3 ARG 84 6.230 7.833 -2.163 602 HD2 ARG 84 HD2 ARG 84 4.191 8.664 -0.971 603 HD3 ARG 84 HD3 ARG 84 4.741 10.323 -1.250 604 HE ARG 84 HE ARG 84 4.757 9.342 -3.744 605 HH11 ARG 84 HH11 ARG 84 2.226 9.131 -1.292 606 HH12 ARG 84 HH12 ARG 84 0.952 9.069 -2.463 607 HH21 ARG 84 HH21 ARG 84 3.075 9.195 -5.236 608 HH22 ARG 84 HH22 ARG 84 1.431 9.102 -4.683 609 H CYS 85 H CYS 85 7.737 6.510 1.759 610 HA CYS 85 HA CYS 85 8.990 8.107 3.786 611 HB2 CYS 85 HB2 CYS 85 7.909 5.262 3.905 612 HB3 CYS 85 HB3 CYS 85 8.360 6.244 5.306 613 H VAL 86 H VAL 86 9.975 5.311 1.873 614 HA VAL 86 HA VAL 86 12.334 4.598 3.295 615 HB VAL 86 HB VAL 86 11.699 4.264 0.320 616 HG11 VAL 86 HG11 VAL 86 13.409 2.465 0.319 617 HG12 VAL 86 HG12 VAL 86 13.824 2.856 1.991 618 HG13 VAL 86 HG13 VAL 86 14.116 4.033 0.707 619 HG21 VAL 86 HG21 VAL 86 10.020 3.158 1.749 620 HG22 VAL 86 HG22 VAL 86 11.293 2.302 2.618 621 HG23 VAL 86 HG23 VAL 86 11.005 1.956 0.912 622 H VAL 87 H VAL 87 11.696 6.848 0.603 623 HA VAL 87 HA VAL 87 14.369 7.923 0.453 624 HB VAL 87 HB VAL 87 11.744 9.101 -0.587 625 HG11 VAL 87 HG11 VAL 87 13.112 10.424 -2.160 626 HG12 VAL 87 HG12 VAL 87 14.588 9.789 -1.428 627 HG13 VAL 87 HG13 VAL 87 13.506 10.818 -0.487 628 HG21 VAL 87 HG21 VAL 87 13.751 7.339 -2.050 629 HG22 VAL 87 HG22 VAL 87 12.319 8.084 -2.769 630 HG23 VAL 87 HG23 VAL 87 12.141 6.858 -1.513 631 H GLU 88 H GLU 88 11.692 8.402 2.526 632 HA GLU 88 HA GLU 88 11.005 9.711 4.116 633 HB2 GLU 88 HB2 GLU 88 13.341 9.563 4.988 634 HB3 GLU 88 HB3 GLU 88 13.740 11.028 4.084 635 HG2 GLU 88 HG2 GLU 88 11.778 12.106 5.364 636 HG3 GLU 88 HG3 GLU 88 11.872 10.708 6.428 637 H GLU 89 H GLU 89 13.120 11.912 2.381 638 HA GLU 89 HA GLU 89 10.927 13.206 0.973 639 HB2 GLU 89 HB2 GLU 89 11.536 14.360 3.345 640 HB3 GLU 89 HB3 GLU 89 12.870 15.049 2.433 641 HG2 GLU 89 HG2 GLU 89 9.907 15.396 1.855 642 HG3 GLU 89 HG3 GLU 89 10.971 16.599 2.575 643 H VAL 90 H VAL 90 11.695 14.011 -1.022 644 HA VAL 90 HA VAL 90 14.173 12.919 -1.962 645 HB VAL 90 HB VAL 90 12.347 14.905 -3.407 646 HG11 VAL 90 HG11 VAL 90 13.343 13.995 -5.490 647 HG12 VAL 90 HG12 VAL 90 14.420 12.976 -4.530 648 HG13 VAL 90 HG13 VAL 90 14.566 14.733 -4.454 649 HG21 VAL 90 HG21 VAL 90 11.056 12.928 -2.725 650 HG22 VAL 90 HG22 VAL 90 12.255 11.861 -3.458 651 HG23 VAL 90 HG23 VAL 90 11.286 12.932 -4.475 652 H SER 91 H SER 91 15.916 13.800 -0.940 653 HA SER 91 HA SER 91 15.968 16.469 0.077 654 HB2 SER 91 HB2 SER 91 17.018 14.644 1.334 655 HB3 SER 91 HB3 SER 91 18.128 14.315 0.005 656 HG SER 91 HG SER 91 18.668 15.821 1.966 657 H LYS 92 H LYS 92 16.687 18.256 -0.882 658 HA LYS 92 HA LYS 92 17.830 18.190 -3.542 659 HB2 LYS 92 HB2 LYS 92 17.525 20.635 -3.512 660 HB3 LYS 92 HB3 LYS 92 16.056 19.819 -3.010 661 HG2 LYS 92 HG2 LYS 92 16.531 20.388 -0.647 662 HG3 LYS 92 HG3 LYS 92 18.035 21.167 -1.137 663 HD2 LYS 92 HD2 LYS 92 16.422 22.909 -0.791 664 HD3 LYS 92 HD3 LYS 92 16.667 22.774 -2.530 665 HE2 LYS 92 HE2 LYS 92 14.303 23.061 -2.108 666 HE3 LYS 92 HE3 LYS 92 14.548 21.398 -2.644 667 HZ1 LYS 92 HZ1 LYS 92 14.513 20.725 -0.290 668 HZ2 LYS 92 HZ2 LYS 92 13.063 21.444 -0.777 669 HZ3 LYS 92 HZ3 LYS 92 14.166 22.319 0.157 670 HA PRO 93 HA PRO 93 22.114 18.819 -1.946 671 HB2 PRO 93 HB2 PRO 93 22.757 18.805 -4.878 672 HB3 PRO 93 HB3 PRO 93 23.425 17.793 -3.582 673 HG2 PRO 93 HG2 PRO 93 21.765 16.747 -5.400 674 HG3 PRO 93 HG3 PRO 93 21.678 16.242 -3.694 675 HD2 PRO 93 HD2 PRO 93 19.929 18.234 -5.157 676 HD3 PRO 93 HD3 PRO 93 19.449 16.911 -4.063 677 H GLN 94 H GLN 94 21.381 20.904 -1.266 678 HA GLN 94 HA GLN 94 21.142 23.118 -3.107 679 HB2 GLN 94 HB2 GLN 94 19.946 22.702 -0.761 680 HB3 GLN 94 HB3 GLN 94 21.377 23.470 -0.096 681 HG2 GLN 94 HG2 GLN 94 19.528 24.743 -2.142 682 HG3 GLN 94 HG3 GLN 94 19.428 25.006 -0.405 683 HE21 GLN 94 HE21 GLN 94 19.907 26.905 -2.615 684 HE22 GLN 94 HE22 GLN 94 21.385 27.709 -2.227 Start of MODEL 20 1 H1 SER 1 H1 SER 1 -62.323 11.115 -69.767 2 H2 SER 1 H2 SER 1 -63.900 11.727 -69.698 3 H3 SER 1 H3 SER 1 -62.732 12.262 -68.602 4 HA SER 1 HA SER 1 -62.673 12.701 -71.510 5 HB2 SER 1 HB2 SER 1 -63.055 15.123 -70.828 6 HB3 SER 1 HB3 SER 1 -64.423 14.056 -70.510 7 HG SER 1 HG SER 1 -64.168 15.174 -68.658 8 H HIS 2 H HIS 2 -61.063 14.645 -71.889 9 HA HIS 2 HA HIS 2 -58.466 13.684 -71.301 10 HB2 HIS 2 HB2 HIS 2 -59.270 16.416 -72.407 11 HB3 HIS 2 HB3 HIS 2 -57.650 15.734 -72.465 12 HD2 HIS 2 HD2 HIS 2 -57.499 13.343 -74.153 13 HE1 HIS 2 HE1 HIS 2 -60.744 14.702 -76.504 14 HE2 HIS 2 HE2 HIS 2 -58.683 13.233 -76.456 15 H MET 3 H MET 3 -57.958 13.635 -69.148 16 HA MET 3 HA MET 3 -58.362 15.747 -67.284 17 HB2 MET 3 HB2 MET 3 -56.453 13.364 -67.182 18 HB3 MET 3 HB3 MET 3 -56.752 14.450 -65.832 19 HG2 MET 3 HG2 MET 3 -59.113 13.763 -65.792 20 HG3 MET 3 HG3 MET 3 -58.819 12.682 -67.160 21 HE1 MET 3 HE1 MET 3 -59.815 10.608 -65.772 22 HE2 MET 3 HE2 MET 3 -60.132 11.682 -64.407 23 HE3 MET 3 HE3 MET 3 -59.260 10.170 -64.156 24 H SER 4 H SER 4 -57.635 17.600 -68.260 25 HA SER 4 HA SER 4 -54.769 17.937 -68.877 26 HB2 SER 4 HB2 SER 4 -56.451 18.635 -70.607 27 HB3 SER 4 HB3 SER 4 -57.155 19.770 -69.452 28 HG SER 4 HG SER 4 -54.753 19.908 -70.874 29 H GLY 5 H GLY 5 -53.818 18.205 -66.921 30 HA2 GLY 5 HA2 GLY 5 -54.682 20.480 -65.217 31 HA3 GLY 5 HA3 GLY 5 -54.321 18.907 -64.513 32 H GLY 6 H GLY 6 -53.013 21.784 -65.948 33 HA2 GLY 6 HA2 GLY 6 -50.251 21.093 -65.937 34 HA3 GLY 6 HA3 GLY 6 -50.920 22.720 -65.884 35 H SER 7 H SER 7 -49.070 20.575 -64.174 36 HA SER 7 HA SER 7 -49.693 21.795 -61.540 37 HB2 SER 7 HB2 SER 7 -50.167 19.340 -61.627 38 HB3 SER 7 HB3 SER 7 -48.493 19.034 -62.096 39 HG SER 7 HG SER 7 -49.376 20.246 -59.669 40 HA PRO 8 HA PRO 8 -45.361 23.144 -62.472 41 HB2 PRO 8 HB2 PRO 8 -45.651 25.768 -61.744 42 HB3 PRO 8 HB3 PRO 8 -46.133 25.180 -63.348 43 HG2 PRO 8 HG2 PRO 8 -47.836 25.814 -60.978 44 HG3 PRO 8 HG3 PRO 8 -48.154 26.100 -62.704 45 HD2 PRO 8 HD2 PRO 8 -49.185 23.971 -61.225 46 HD3 PRO 8 HD3 PRO 8 -49.051 23.996 -62.996 47 H LEU 9 H LEU 9 -43.956 22.615 -60.880 48 HA LEU 9 HA LEU 9 -44.585 22.117 -58.202 49 HB2 LEU 9 HB2 LEU 9 -41.828 22.766 -59.324 50 HB3 LEU 9 HB3 LEU 9 -42.156 21.884 -57.841 51 HG LEU 9 HG LEU 9 -42.789 20.917 -60.659 52 HD11 LEU 9 HD11 LEU 9 -41.013 19.262 -60.313 53 HD12 LEU 9 HD12 LEU 9 -40.631 19.973 -58.743 54 HD13 LEU 9 HD13 LEU 9 -40.386 20.906 -60.223 55 HD21 LEU 9 HD21 LEU 9 -43.376 18.766 -59.628 56 HD22 LEU 9 HD22 LEU 9 -44.444 20.061 -59.097 57 HD23 LEU 9 HD23 LEU 9 -43.174 19.473 -58.021 58 H ALA 10 H ALA 10 -45.027 23.521 -56.588 59 HA ALA 10 HA ALA 10 -45.085 26.325 -57.094 60 HB1 ALA 10 HB1 ALA 10 -46.154 26.494 -54.875 61 HB2 ALA 10 HB2 ALA 10 -45.711 24.822 -54.517 62 HB3 ALA 10 HB3 ALA 10 -46.849 25.174 -55.814 63 H THR 11 H THR 11 -42.943 26.882 -57.424 64 HA THR 11 HA THR 11 -40.984 27.846 -57.031 65 HB THR 11 HB THR 11 -41.681 27.876 -54.061 66 HG1 THR 11 HG1 THR 11 -42.895 29.614 -54.476 67 HG21 THR 11 HG21 THR 11 -40.223 29.865 -53.968 68 HG22 THR 11 HG22 THR 11 -39.860 29.693 -55.685 69 HG23 THR 11 HG23 THR 11 -39.311 28.465 -54.544 70 H GLY 12 H GLY 12 -38.875 27.239 -56.804 71 HA2 GLY 12 HA2 GLY 12 -38.212 24.630 -55.648 72 HA3 GLY 12 HA3 GLY 12 -37.156 25.675 -56.589 73 H THR 13 H THR 13 -36.895 24.348 -53.873 74 HA THR 13 HA THR 13 -36.756 26.399 -51.889 75 HB THR 13 HB THR 13 -35.295 24.609 -50.661 76 HG1 THR 13 HG1 THR 13 -36.348 22.812 -52.569 77 HG21 THR 13 HG21 THR 13 -37.238 23.245 -50.077 78 HG22 THR 13 HG22 THR 13 -38.105 23.819 -51.498 79 HG23 THR 13 HG23 THR 13 -37.714 24.944 -50.195 80 H THR 14 H THR 14 -34.805 27.122 -50.822 81 HA THR 14 HA THR 14 -32.407 27.369 -52.557 82 HB THR 14 HB THR 14 -32.080 29.636 -51.420 83 HG1 THR 14 HG1 THR 14 -33.472 29.423 -49.658 84 HG21 THR 14 HG21 THR 14 -34.610 29.366 -53.084 85 HG22 THR 14 HG22 THR 14 -32.972 29.527 -53.723 86 HG23 THR 14 HG23 THR 14 -33.702 30.859 -52.824 87 H ALA 15 H ALA 15 -30.416 27.922 -51.223 88 HA ALA 15 HA ALA 15 -30.374 27.020 -48.448 89 HB1 ALA 15 HB1 ALA 15 -28.825 25.522 -50.605 90 HB2 ALA 15 HB2 ALA 15 -30.206 24.902 -49.700 91 HB3 ALA 15 HB3 ALA 15 -28.693 25.250 -48.862 92 H ASN 16 H ASN 16 -29.016 28.289 -47.388 93 HA ASN 16 HA ASN 16 -26.722 29.599 -48.748 94 HB2 ASN 16 HB2 ASN 16 -28.466 30.588 -46.424 95 HB3 ASN 16 HB3 ASN 16 -26.995 31.394 -46.967 96 HD21 ASN 16 HD21 ASN 16 -29.893 32.232 -46.930 97 HD22 ASN 16 HD22 ASN 16 -30.215 32.755 -48.547 98 H THR 17 H THR 17 -25.095 28.232 -48.251 99 HA THR 17 HA THR 17 -24.993 26.510 -46.024 100 HB THR 17 HB THR 17 -22.636 27.330 -47.785 101 HG1 THR 17 HG1 THR 17 -23.985 26.603 -49.294 102 HG21 THR 17 HG21 THR 17 -23.228 24.726 -46.328 103 HG22 THR 17 HG22 THR 17 -22.012 25.915 -45.847 104 HG23 THR 17 HG23 THR 17 -21.841 25.033 -47.367 105 H ARG 18 H ARG 18 -24.607 27.087 -43.966 106 HA ARG 18 HA ARG 18 -23.004 29.483 -43.297 107 HB2 ARG 18 HB2 ARG 18 -25.023 27.894 -41.635 108 HB3 ARG 18 HB3 ARG 18 -24.135 29.302 -41.060 109 HG2 ARG 18 HG2 ARG 18 -25.239 30.711 -42.769 110 HG3 ARG 18 HG3 ARG 18 -26.127 29.301 -43.353 111 HD2 ARG 18 HD2 ARG 18 -27.537 30.673 -41.896 112 HD3 ARG 18 HD3 ARG 18 -27.251 29.091 -41.166 113 HE ARG 18 HE ARG 18 -25.302 30.671 -40.093 114 HH11 ARG 18 HH11 ARG 18 -28.815 30.975 -40.220 115 HH12 ARG 18 HH12 ARG 18 -28.899 31.851 -38.721 116 HH21 ARG 18 HH21 ARG 18 -25.444 31.794 -38.140 117 HH22 ARG 18 HH22 ARG 18 -26.994 32.313 -37.544 118 H GLY 19 H GLY 19 -22.200 29.016 -40.772 119 HA2 GLY 19 HA2 GLY 19 -21.170 26.548 -40.017 120 HA3 GLY 19 HA3 GLY 19 -19.937 27.295 -41.029 121 H ALA 20 H ALA 20 -21.688 27.485 -38.003 122 HA ALA 20 HA ALA 20 -20.348 29.847 -37.015 123 HB1 ALA 20 HB1 ALA 20 -22.612 29.262 -36.235 124 HB2 ALA 20 HB2 ALA 20 -21.479 29.353 -34.885 125 HB3 ALA 20 HB3 ALA 20 -21.992 27.780 -35.508 126 H SER 21 H SER 21 -18.202 29.713 -36.681 127 HA SER 21 HA SER 21 -16.840 27.339 -35.795 128 HB2 SER 21 HB2 SER 21 -15.827 30.199 -36.101 129 HB3 SER 21 HB3 SER 21 -14.811 28.784 -35.823 130 HG SER 21 HG SER 21 -16.053 29.657 -38.129 131 H GLN 22 H GLN 22 -18.064 26.961 -33.878 132 HA GLN 22 HA GLN 22 -17.513 28.750 -31.588 133 HB2 GLN 22 HB2 GLN 22 -19.544 27.657 -30.538 134 HB3 GLN 22 HB3 GLN 22 -19.854 28.665 -31.937 135 HG2 GLN 22 HG2 GLN 22 -21.237 26.935 -32.486 136 HG3 GLN 22 HG3 GLN 22 -19.764 26.285 -33.197 137 HE21 GLN 22 HE21 GLN 22 -18.874 24.406 -32.288 138 HE22 GLN 22 HE22 GLN 22 -19.665 23.499 -31.048 139 H LYS 23 H LYS 23 -16.324 28.022 -29.936 140 HA LYS 23 HA LYS 23 -16.130 25.374 -28.988 141 HB2 LYS 23 HB2 LYS 23 -14.821 25.008 -31.093 142 HB3 LYS 23 HB3 LYS 23 -13.703 26.281 -30.623 143 HG2 LYS 23 HG2 LYS 23 -12.997 24.939 -28.660 144 HG3 LYS 23 HG3 LYS 23 -14.139 23.672 -29.118 145 HD2 LYS 23 HD2 LYS 23 -11.863 23.072 -29.820 146 HD3 LYS 23 HD3 LYS 23 -12.894 23.310 -31.231 147 HE2 LYS 23 HE2 LYS 23 -11.923 25.535 -31.590 148 HE3 LYS 23 HE3 LYS 23 -10.945 25.364 -30.130 149 HZ1 LYS 23 HZ1 LYS 23 -10.732 23.675 -32.567 150 HZ2 LYS 23 HZ2 LYS 23 -9.817 23.478 -31.161 151 HZ3 LYS 23 HZ3 LYS 23 -9.647 24.875 -32.096 152 H LYS 24 H LYS 24 -16.262 26.203 -26.944 153 HA LYS 24 HA LYS 24 -13.824 26.848 -25.661 154 HB2 LYS 24 HB2 LYS 24 -14.243 29.061 -24.759 155 HB3 LYS 24 HB3 LYS 24 -14.329 29.155 -26.512 156 HG2 LYS 24 HG2 LYS 24 -16.807 29.175 -26.377 157 HG3 LYS 24 HG3 LYS 24 -16.698 29.101 -24.614 158 HD2 LYS 24 HD2 LYS 24 -15.420 31.267 -24.644 159 HD3 LYS 24 HD3 LYS 24 -15.667 31.348 -26.392 160 HE2 LYS 24 HE2 LYS 24 -17.311 32.749 -25.311 161 HE3 LYS 24 HE3 LYS 24 -18.141 31.346 -25.985 162 HZ1 LYS 24 HZ1 LYS 24 -17.405 31.776 -23.137 163 HZ2 LYS 24 HZ2 LYS 24 -18.079 30.348 -23.739 164 HZ3 LYS 24 HZ3 LYS 24 -18.962 31.789 -23.797 165 H GLY 25 H GLY 25 -14.010 26.892 -23.330 166 HA2 GLY 25 HA2 GLY 25 -14.820 26.205 -21.303 167 HA3 GLY 25 HA3 GLY 25 -16.408 26.709 -21.861 168 H GLY 26 H GLY 26 -14.289 24.181 -23.158 169 HA2 GLY 26 HA2 GLY 26 -16.409 22.173 -23.065 170 HA3 GLY 26 HA3 GLY 26 -14.826 22.015 -23.815 171 H GLU 27 H GLU 27 -16.200 22.562 -20.608 172 HA GLU 27 HA GLU 27 -14.860 20.378 -19.318 173 HB2 GLU 27 HB2 GLU 27 -12.979 22.040 -19.563 174 HB3 GLU 27 HB3 GLU 27 -13.941 23.234 -18.703 175 HG2 GLU 27 HG2 GLU 27 -13.952 21.637 -16.724 176 HG3 GLU 27 HG3 GLU 27 -12.764 20.671 -17.598 177 HA PRO 28 HA PRO 28 -18.851 21.719 -17.264 178 HB2 PRO 28 HB2 PRO 28 -19.294 19.138 -16.230 179 HB3 PRO 28 HB3 PRO 28 -19.929 19.726 -17.775 180 HG2 PRO 28 HG2 PRO 28 -17.511 18.044 -17.259 181 HG3 PRO 28 HG3 PRO 28 -18.722 17.913 -18.556 182 HD2 PRO 28 HD2 PRO 28 -16.311 19.012 -19.017 183 HD3 PRO 28 HD3 PRO 28 -17.773 19.651 -19.801 184 HA PRO 29 HA PRO 29 -16.325 22.488 -13.629 185 HB2 PRO 29 HB2 PRO 29 -18.215 23.706 -12.013 186 HB3 PRO 29 HB3 PRO 29 -17.461 24.508 -13.405 187 HG2 PRO 29 HG2 PRO 29 -20.139 23.184 -13.227 188 HG3 PRO 29 HG3 PRO 29 -19.691 24.720 -14.006 189 HD2 PRO 29 HD2 PRO 29 -20.030 22.424 -15.427 190 HD3 PRO 29 HD3 PRO 29 -18.861 23.669 -15.909 191 H ALA 30 H ALA 30 -15.861 20.408 -13.007 192 HA ALA 30 HA ALA 30 -17.603 18.534 -11.832 193 HB1 ALA 30 HB1 ALA 30 -15.501 17.877 -12.910 194 HB2 ALA 30 HB2 ALA 30 -15.547 17.288 -11.248 195 HB3 ALA 30 HB3 ALA 30 -14.574 18.702 -11.657 196 H LEU 31 H LEU 31 -18.751 19.283 -10.144 197 HA LEU 31 HA LEU 31 -17.522 20.861 -8.002 198 HB2 LEU 31 HB2 LEU 31 -19.622 21.620 -9.170 199 HB3 LEU 31 HB3 LEU 31 -20.450 20.200 -8.551 200 HG LEU 31 HG LEU 31 -20.063 21.043 -6.214 201 HD11 LEU 31 HD11 LEU 31 -19.030 23.552 -7.558 202 HD12 LEU 31 HD12 LEU 31 -18.089 22.420 -6.583 203 HD13 LEU 31 HD13 LEU 31 -19.377 23.360 -5.838 204 HD21 LEU 31 HD21 LEU 31 -21.790 22.796 -6.274 205 HD22 LEU 31 HD22 LEU 31 -22.209 21.444 -7.320 206 HD23 LEU 31 HD23 LEU 31 -21.595 22.940 -8.025 207 H ILE 32 H ILE 32 -16.433 19.397 -6.737 208 HA ILE 32 HA ILE 32 -17.595 16.950 -5.751 209 HB ILE 32 HB ILE 32 -15.031 18.413 -4.951 210 HG12 ILE 32 HG12 ILE 32 -13.948 16.285 -5.898 211 HG13 ILE 32 HG13 ILE 32 -15.536 15.821 -6.485 212 HG21 ILE 32 HG21 ILE 32 -14.437 16.469 -3.521 213 HG22 ILE 32 HG22 ILE 32 -16.027 15.764 -3.814 214 HG23 ILE 32 HG23 ILE 32 -15.888 17.282 -2.928 215 HD11 ILE 32 HD11 ILE 32 -13.982 18.263 -7.343 216 HD12 ILE 32 HD12 ILE 32 -15.562 17.774 -7.959 217 HD13 ILE 32 HD13 ILE 32 -14.150 16.759 -8.247 218 H VAL 33 H VAL 33 -19.542 17.590 -4.850 219 HA VAL 33 HA VAL 33 -19.542 19.094 -2.316 220 HB VAL 33 HB VAL 33 -21.863 17.665 -3.724 221 HG11 VAL 33 HG11 VAL 33 -21.936 19.758 -1.515 222 HG12 VAL 33 HG12 VAL 33 -22.338 18.048 -1.345 223 HG13 VAL 33 HG13 VAL 33 -23.347 19.089 -2.348 224 HG21 VAL 33 HG21 VAL 33 -21.074 20.600 -3.874 225 HG22 VAL 33 HG22 VAL 33 -22.527 19.889 -4.581 226 HG23 VAL 33 HG23 VAL 33 -20.935 19.415 -5.176 227 H ASP 34 H ASP 34 -18.736 16.086 -3.367 228 HA ASP 34 HA ASP 34 -19.615 14.199 -1.543 229 HB2 ASP 34 HB2 ASP 34 -18.215 13.846 -3.659 230 HB3 ASP 34 HB3 ASP 34 -16.808 14.409 -2.766 231 HA PRO 35 HA PRO 35 -18.024 15.356 2.556 232 HB2 PRO 35 HB2 PRO 35 -17.054 12.717 3.222 233 HB3 PRO 35 HB3 PRO 35 -18.635 13.403 3.621 234 HG2 PRO 35 HG2 PRO 35 -17.878 11.648 1.325 235 HG3 PRO 35 HG3 PRO 35 -19.381 11.685 2.279 236 HD2 PRO 35 HD2 PRO 35 -19.374 12.726 -0.159 237 HD3 PRO 35 HD3 PRO 35 -20.202 13.605 1.151 238 H LEU 36 H LEU 36 -15.955 13.316 0.505 239 HA LEU 36 HA LEU 36 -13.878 13.580 -0.295 240 HB2 LEU 36 HB2 LEU 36 -14.324 16.041 -0.285 241 HB3 LEU 36 HB3 LEU 36 -13.648 16.149 1.322 242 HG LEU 36 HG LEU 36 -11.935 15.156 -0.990 243 HD11 LEU 36 HD11 LEU 36 -12.879 17.293 -1.742 244 HD12 LEU 36 HD12 LEU 36 -11.158 17.447 -1.406 245 HD13 LEU 36 HD13 LEU 36 -12.339 18.077 -0.256 246 HD21 LEU 36 HD21 LEU 36 -11.010 14.872 1.271 247 HD22 LEU 36 HD22 LEU 36 -11.208 16.595 1.587 248 HD23 LEU 36 HD23 LEU 36 -10.070 16.046 0.352 249 H MET 37 H MET 37 -13.876 14.445 3.189 250 HA MET 37 HA MET 37 -11.328 13.514 3.861 251 HB2 MET 37 HB2 MET 37 -12.563 15.024 5.322 252 HB3 MET 37 HB3 MET 37 -13.823 13.826 5.579 253 HG2 MET 37 HG2 MET 37 -12.344 14.022 7.527 254 HG3 MET 37 HG3 MET 37 -12.247 12.408 6.818 255 HE1 MET 37 HE1 MET 37 -8.594 12.894 8.098 256 HE2 MET 37 HE2 MET 37 -9.996 11.824 8.066 257 HE3 MET 37 HE3 MET 37 -10.089 13.382 8.893 258 H LYS 38 H LYS 38 -11.025 11.538 2.853 259 HA LYS 38 HA LYS 38 -11.778 9.170 4.384 260 HB2 LYS 38 HB2 LYS 38 -12.262 9.373 1.363 261 HB3 LYS 38 HB3 LYS 38 -12.327 7.876 2.286 262 HG2 LYS 38 HG2 LYS 38 -14.238 8.775 3.588 263 HG3 LYS 38 HG3 LYS 38 -14.176 10.251 2.619 264 HD2 LYS 38 HD2 LYS 38 -14.674 8.917 0.574 265 HD3 LYS 38 HD3 LYS 38 -14.766 7.456 1.568 266 HE2 LYS 38 HE2 LYS 38 -16.574 9.886 1.791 267 HE3 LYS 38 HE3 LYS 38 -17.013 8.320 1.112 268 HZ1 LYS 38 HZ1 LYS 38 -16.605 7.336 3.315 269 HZ2 LYS 38 HZ2 LYS 38 -17.830 8.503 3.349 270 HZ3 LYS 38 HZ3 LYS 38 -16.289 8.870 3.940 271 H TYR 39 H TYR 39 -10.389 7.328 3.801 272 HA TYR 39 HA TYR 39 -7.682 8.051 3.319 273 HB2 TYR 39 HB2 TYR 39 -9.021 5.326 3.549 274 HB3 TYR 39 HB3 TYR 39 -7.282 5.539 3.380 275 HD1 TYR 39 HD2 TYR 39 -6.101 7.023 5.180 276 HD2 TYR 39 HD1 TYR 39 -9.978 5.319 5.736 277 HE1 TYR 39 HE2 TYR 39 -5.861 7.264 7.613 278 HE2 TYR 39 HE1 TYR 39 -9.740 5.566 8.166 279 HH TYR 39 HH TYR 39 -7.256 7.406 9.607 280 H ILE 40 H ILE 40 -9.540 5.585 1.587 281 HA ILE 40 HA ILE 40 -9.903 5.002 -0.562 282 HB ILE 40 HB ILE 40 -9.257 7.929 -1.108 283 HG12 ILE 40 HG12 ILE 40 -11.906 6.426 -0.998 284 HG13 ILE 40 HG13 ILE 40 -11.299 7.533 0.228 285 HG21 ILE 40 HG21 ILE 40 -10.373 5.902 -3.082 286 HG22 ILE 40 HG22 ILE 40 -8.794 6.682 -3.171 287 HG23 ILE 40 HG23 ILE 40 -10.259 7.641 -3.361 288 HD11 ILE 40 HD11 ILE 40 -11.451 9.385 -1.381 289 HD12 ILE 40 HD12 ILE 40 -13.001 8.585 -1.125 290 HD13 ILE 40 HD13 ILE 40 -12.080 8.266 -2.596 291 H CYS 41 H CYS 41 -8.652 3.728 -1.863 292 HA CYS 41 HA CYS 41 -5.832 3.727 -1.828 293 HB2 CYS 41 HB2 CYS 41 -7.142 1.726 -2.335 294 HB3 CYS 41 HB3 CYS 41 -7.755 2.458 -3.811 295 H HIS 42 H HIS 42 -4.712 5.363 -2.567 296 HA HIS 42 HA HIS 42 -5.565 7.417 -4.264 297 HB2 HIS 42 HB2 HIS 42 -3.854 7.513 -2.399 298 HB3 HIS 42 HB3 HIS 42 -2.711 6.699 -3.453 299 HD1 HIS 42 HD1 HIS 42 -1.184 8.749 -3.083 300 HD2 HIS 42 HD2 HIS 42 -4.714 9.619 -5.095 301 HE1 HIS 42 HE1 HIS 42 -0.821 11.004 -4.115 302 HE2 HIS 42 HE2 HIS 42 -3.049 11.591 -5.136 303 H ILE 43 H ILE 43 -4.287 4.342 -5.075 304 HA ILE 43 HA ILE 43 -3.410 5.133 -7.767 305 HB ILE 43 HB ILE 43 -3.279 2.411 -6.387 306 HG12 ILE 43 HG12 ILE 43 -1.122 4.500 -6.947 307 HG13 ILE 43 HG13 ILE 43 -1.725 4.018 -5.367 308 HG21 ILE 43 HG21 ILE 43 -1.894 1.667 -8.293 309 HG22 ILE 43 HG22 ILE 43 -2.131 3.225 -9.086 310 HG23 ILE 43 HG23 ILE 43 -3.503 2.146 -8.835 311 HD11 ILE 43 HD11 ILE 43 -0.772 1.767 -5.740 312 HD12 ILE 43 HD12 ILE 43 0.428 3.059 -5.733 313 HD13 ILE 43 HD13 ILE 43 -0.087 2.348 -7.262 314 H CYS 44 H CYS 44 -6.043 3.418 -6.099 315 HA CYS 44 HA CYS 44 -7.284 2.428 -8.550 316 HB2 CYS 44 HB2 CYS 44 -8.242 2.424 -5.646 317 HB3 CYS 44 HB3 CYS 44 -9.111 1.674 -6.984 318 H ASN 45 H ASN 45 -7.416 5.278 -6.608 319 HA ASN 45 HA ASN 45 -8.555 7.215 -6.624 320 HB2 ASN 45 HB2 ASN 45 -8.496 7.176 -9.095 321 HB3 ASN 45 HB3 ASN 45 -9.935 6.166 -9.139 322 HD21 ASN 45 HD21 ASN 45 -11.943 7.110 -8.745 323 HD22 ASN 45 HD22 ASN 45 -12.191 8.818 -8.724 324 H ARG 46 H ARG 46 -10.303 4.222 -6.641 325 HA ARG 46 HA ARG 46 -12.552 5.388 -5.130 326 HB2 ARG 46 HB2 ARG 46 -12.335 2.755 -6.663 327 HB3 ARG 46 HB3 ARG 46 -13.723 3.230 -5.690 328 HG2 ARG 46 HG2 ARG 46 -14.113 5.167 -7.180 329 HG3 ARG 46 HG3 ARG 46 -12.732 4.676 -8.167 330 HD2 ARG 46 HD2 ARG 46 -13.858 2.571 -8.741 331 HD3 ARG 46 HD3 ARG 46 -15.216 2.993 -7.691 332 HE ARG 46 HE ARG 46 -14.793 5.013 -9.643 333 HH11 ARG 46 HH11 ARG 46 -16.100 1.752 -9.337 334 HH12 ARG 46 HH12 ARG 46 -17.194 1.932 -10.676 335 HH21 ARG 46 HH21 ARG 46 -16.257 5.244 -11.380 336 HH22 ARG 46 HH22 ARG 46 -17.281 3.914 -11.829 337 H GLY 47 H GLY 47 -13.457 3.878 -3.460 338 HA2 GLY 47 HA2 GLY 47 -11.300 2.917 -1.693 339 HA3 GLY 47 HA3 GLY 47 -12.914 3.408 -1.207 340 H ASP 48 H ASP 48 -12.100 1.161 -3.834 341 HA ASP 48 HA ASP 48 -13.777 -0.966 -2.808 342 HB2 ASP 48 HB2 ASP 48 -11.674 -1.018 -5.037 343 HB3 ASP 48 HB3 ASP 48 -12.801 -2.328 -4.688 344 H VAL 49 H VAL 49 -12.990 -3.090 -2.192 345 HA VAL 49 HA VAL 49 -11.921 -4.399 -0.670 346 HB VAL 49 HB VAL 49 -9.420 -3.789 -2.314 347 HG11 VAL 49 HG11 VAL 49 -8.831 -6.148 -1.898 348 HG12 VAL 49 HG12 VAL 49 -10.295 -6.355 -0.935 349 HG13 VAL 49 HG13 VAL 49 -9.023 -5.261 -0.385 350 HG21 VAL 49 HG21 VAL 49 -10.142 -5.499 -3.945 351 HG22 VAL 49 HG22 VAL 49 -11.284 -4.156 -3.887 352 HG23 VAL 49 HG23 VAL 49 -11.677 -5.682 -3.092 353 H GLU 50 H GLU 50 -12.332 -2.355 0.725 354 HA GLU 50 HA GLU 50 -10.240 -0.598 1.426 355 HB2 GLU 50 HB2 GLU 50 -11.740 0.235 3.154 356 HB3 GLU 50 HB3 GLU 50 -12.630 -0.035 1.660 357 HG2 GLU 50 HG2 GLU 50 -13.519 -2.167 2.574 358 HG3 GLU 50 HG3 GLU 50 -12.640 -1.873 4.074 359 H GLU 51 H GLU 51 -11.034 -3.777 2.583 360 HA GLU 51 HA GLU 51 -9.805 -3.779 5.126 361 HB2 GLU 51 HB2 GLU 51 -11.388 -5.501 4.201 362 HB3 GLU 51 HB3 GLU 51 -10.133 -6.077 3.125 363 HG2 GLU 51 HG2 GLU 51 -9.846 -6.154 6.135 364 HG3 GLU 51 HG3 GLU 51 -10.633 -7.444 5.240 365 H SER 52 H SER 52 -8.491 -4.196 1.861 366 HA SER 52 HA SER 52 -5.809 -4.910 2.869 367 HB2 SER 52 HB2 SER 52 -6.923 -4.946 0.033 368 HB3 SER 52 HB3 SER 52 -5.335 -5.542 0.528 369 HG SER 52 HG SER 52 -7.320 -6.620 2.040 370 H MET 53 H MET 53 -7.240 -2.136 2.698 371 HA MET 53 HA MET 53 -5.442 -0.599 1.000 372 HB2 MET 53 HB2 MET 53 -7.911 -0.050 1.254 373 HB3 MET 53 HB3 MET 53 -7.596 0.413 2.919 374 HG2 MET 53 HG2 MET 53 -6.072 2.192 2.118 375 HG3 MET 53 HG3 MET 53 -6.432 1.738 0.452 376 HE1 MET 53 HE1 MET 53 -9.612 1.052 0.740 377 HE2 MET 53 HE2 MET 53 -8.942 1.962 -0.617 378 HE3 MET 53 HE3 MET 53 -10.309 2.608 0.291 379 H LEU 54 H LEU 54 -3.445 -0.545 1.790 380 HA LEU 54 HA LEU 54 -2.728 -0.441 4.583 381 HB2 LEU 54 HB2 LEU 54 -0.990 0.066 2.124 382 HB3 LEU 54 HB3 LEU 54 -0.395 -0.178 3.758 383 HG LEU 54 HG LEU 54 -1.817 -2.270 2.073 384 HD11 LEU 54 HD11 LEU 54 0.376 -3.373 1.946 385 HD12 LEU 54 HD12 LEU 54 1.122 -2.022 2.807 386 HD13 LEU 54 HD13 LEU 54 0.412 -1.774 1.207 387 HD21 LEU 54 HD21 LEU 54 -0.564 -2.531 4.825 388 HD22 LEU 54 HD22 LEU 54 -1.190 -3.859 3.846 389 HD23 LEU 54 HD23 LEU 54 -2.286 -2.616 4.441 390 H LEU 55 H LEU 55 -1.953 1.340 5.696 391 HA LEU 55 HA LEU 55 -2.129 3.986 4.362 392 HB2 LEU 55 HB2 LEU 55 -3.947 3.450 6.079 393 HB3 LEU 55 HB3 LEU 55 -2.704 3.380 7.304 394 HG LEU 55 HG LEU 55 -4.117 5.532 7.177 395 HD11 LEU 55 HD11 LEU 55 -1.114 5.906 7.050 396 HD12 LEU 55 HD12 LEU 55 -2.049 5.475 8.483 397 HD13 LEU 55 HD13 LEU 55 -2.283 7.049 7.723 398 HD21 LEU 55 HD21 LEU 55 -2.390 6.087 4.741 399 HD22 LEU 55 HD22 LEU 55 -3.508 7.217 5.510 400 HD23 LEU 55 HD23 LEU 55 -4.126 5.763 4.728 401 H CYS 56 H CYS 56 -0.103 4.702 4.053 402 HA CYS 56 HA CYS 56 2.242 3.948 5.362 403 HB2 CYS 56 HB2 CYS 56 2.311 5.205 3.277 404 HB3 CYS 56 HB3 CYS 56 1.565 6.606 4.042 405 H ASP 57 H ASP 57 2.563 4.061 7.499 406 HA ASP 57 HA ASP 57 1.158 5.630 9.333 407 HB2 ASP 57 HB2 ASP 57 2.347 3.509 9.888 408 HB3 ASP 57 HB3 ASP 57 3.893 4.327 9.685 409 H GLY 58 H GLY 58 4.097 6.334 7.571 410 HA2 GLY 58 HA2 GLY 58 4.301 9.050 8.765 411 HA3 GLY 58 HA3 GLY 58 5.665 8.130 8.152 412 H CYS 59 H CYS 59 2.494 8.959 6.917 413 HA CYS 59 HA CYS 59 3.238 11.105 5.250 414 HB2 CYS 59 HB2 CYS 59 2.763 8.486 3.768 415 HB3 CYS 59 HB3 CYS 59 2.504 10.044 2.990 416 H ASP 60 H ASP 60 0.978 8.624 6.126 417 HA ASP 60 HA ASP 60 -1.238 8.306 6.058 418 HB2 ASP 60 HB2 ASP 60 -1.350 10.290 7.537 419 HB3 ASP 60 HB3 ASP 60 -1.380 11.353 6.132 420 H ASP 61 H ASP 61 -0.237 7.708 3.865 421 HA ASP 61 HA ASP 61 -2.059 8.720 1.771 422 HB2 ASP 61 HB2 ASP 61 0.522 9.251 1.488 423 HB3 ASP 61 HB3 ASP 61 0.663 7.554 1.080 424 H SER 62 H SER 62 -3.105 7.125 0.647 425 HA SER 62 HA SER 62 -3.113 4.501 1.973 426 HB2 SER 62 HB2 SER 62 -5.293 5.921 0.396 427 HB3 SER 62 HB3 SER 62 -5.482 4.440 1.335 428 HG SER 62 HG SER 62 -5.375 5.561 3.173 429 H TYR 63 H TYR 63 -2.386 2.823 0.862 430 HA TYR 63 HA TYR 63 -2.690 2.620 -2.083 431 HB2 TYR 63 HB2 TYR 63 -0.187 1.829 -0.500 432 HB3 TYR 63 HB3 TYR 63 -0.423 1.602 -2.226 433 HD1 TYR 63 HD1 TYR 63 0.312 4.078 0.418 434 HD2 TYR 63 HD2 TYR 63 -0.141 3.490 -3.780 435 HE1 TYR 63 HE1 TYR 63 1.384 6.248 0.004 436 HE2 TYR 63 HE2 TYR 63 0.941 5.653 -4.195 437 HH TYR 63 HH TYR 63 1.201 7.872 -2.797 438 H HIS 64 H HIS 64 -3.451 0.554 -2.668 439 HA HIS 64 HA HIS 64 -3.938 -1.457 -0.643 440 HB2 HIS 64 HB2 HIS 64 -4.178 -1.551 -3.675 441 HB3 HIS 64 HB3 HIS 64 -4.491 -2.964 -2.662 442 HD2 HIS 64 HD2 HIS 64 -6.411 -1.826 -0.423 443 HE1 HIS 64 HE1 HIS 64 -8.763 -0.610 -3.708 444 HE2 HIS 64 HE2 HIS 64 -8.768 -1.321 -1.272 445 H THR 65 H THR 65 -2.981 -3.508 -0.521 446 HA THR 65 HA THR 65 -0.272 -3.924 -0.785 447 HB THR 65 HB THR 65 -0.901 -6.406 -0.716 448 HG1 THR 65 HG1 THR 65 -2.952 -6.978 -0.988 449 HG21 THR 65 HG21 THR 65 -1.958 -6.336 1.513 450 HG22 THR 65 HG22 THR 65 -2.341 -4.628 1.289 451 HG23 THR 65 HG23 THR 65 -0.658 -5.151 1.396 452 H PHE 66 H PHE 66 -2.853 -4.730 -3.078 453 HA PHE 66 HA PHE 66 -1.058 -5.908 -5.023 454 HB2 PHE 66 HB2 PHE 66 -3.169 -6.344 -6.317 455 HB3 PHE 66 HB3 PHE 66 -3.128 -7.057 -4.715 456 HD1 PHE 66 HD2 PHE 66 -4.741 -4.462 -6.818 457 HD2 PHE 66 HD1 PHE 66 -4.676 -6.315 -2.961 458 HE1 PHE 66 HE2 PHE 66 -6.937 -3.472 -6.294 459 HE2 PHE 66 HE1 PHE 66 -6.868 -5.326 -2.454 460 HZ PHE 66 HZ PHE 66 -8.000 -3.906 -4.117 461 H CYS 67 H CYS 67 -2.537 -2.755 -4.591 462 HA CYS 67 HA CYS 67 -2.508 -1.904 -7.325 463 HB2 CYS 67 HB2 CYS 67 -2.594 -0.325 -4.729 464 HB3 CYS 67 HB3 CYS 67 -2.720 0.421 -6.330 465 H LEU 68 H LEU 68 -0.078 -1.973 -4.818 466 HA LEU 68 HA LEU 68 1.914 -0.442 -6.284 467 HB2 LEU 68 HB2 LEU 68 2.158 -2.342 -3.918 468 HB3 LEU 68 HB3 LEU 68 3.465 -1.336 -4.528 469 HG LEU 68 HG LEU 68 0.868 -0.235 -3.385 470 HD11 LEU 68 HD11 LEU 68 2.151 0.283 -1.370 471 HD12 LEU 68 HD12 LEU 68 3.572 -0.521 -2.042 472 HD13 LEU 68 HD13 LEU 68 2.115 -1.450 -1.672 473 HD21 LEU 68 HD21 LEU 68 3.471 1.170 -4.107 474 HD22 LEU 68 HD22 LEU 68 2.082 1.921 -3.316 475 HD23 LEU 68 HD23 LEU 68 1.932 1.311 -4.962 476 H LEU 69 H LEU 69 3.793 -1.369 -7.315 477 HA LEU 69 HA LEU 69 3.769 -4.294 -7.686 478 HB2 LEU 69 HB2 LEU 69 4.633 -4.086 -9.940 479 HB3 LEU 69 HB3 LEU 69 3.090 -3.292 -9.776 480 HG LEU 69 HG LEU 69 4.708 -1.118 -9.465 481 HD11 LEU 69 HD11 LEU 69 6.560 -1.191 -11.065 482 HD12 LEU 69 HD12 LEU 69 6.268 -2.908 -11.359 483 HD13 LEU 69 HD13 LEU 69 6.807 -2.359 -9.769 484 HD21 LEU 69 HD21 LEU 69 3.814 -2.281 -12.108 485 HD22 LEU 69 HD22 LEU 69 4.263 -0.596 -11.821 486 HD23 LEU 69 HD23 LEU 69 2.849 -1.279 -11.019 487 HA PRO 70 HA PRO 70 5.216 -6.069 -8.091 488 HB2 PRO 70 HB2 PRO 70 6.790 -7.134 -5.747 489 HB3 PRO 70 HB3 PRO 70 6.734 -7.715 -7.425 490 HG2 PRO 70 HG2 PRO 70 8.881 -6.437 -6.547 491 HG3 PRO 70 HG3 PRO 70 8.265 -6.128 -8.188 492 HD2 PRO 70 HD2 PRO 70 7.885 -4.461 -5.697 493 HD3 PRO 70 HD3 PRO 70 8.325 -3.947 -7.346 494 HA PRO 71 HA PRO 71 1.879 -5.601 -5.162 495 HB2 PRO 71 HB2 PRO 71 0.315 -7.775 -5.828 496 HB3 PRO 71 HB3 PRO 71 0.500 -6.361 -6.880 497 HG2 PRO 71 HG2 PRO 71 1.916 -8.999 -7.034 498 HG3 PRO 71 HG3 PRO 71 1.156 -8.054 -8.338 499 HD2 PRO 71 HD2 PRO 71 3.827 -7.989 -7.915 500 HD3 PRO 71 HD3 PRO 71 2.941 -6.556 -8.485 501 H LEU 72 H LEU 72 2.018 -5.907 -3.052 502 HA LEU 72 HA LEU 72 3.118 -8.129 -1.696 503 HB2 LEU 72 HB2 LEU 72 1.153 -6.049 -0.639 504 HB3 LEU 72 HB3 LEU 72 2.192 -7.072 0.340 505 HG LEU 72 HG LEU 72 3.212 -4.949 -1.595 506 HD11 LEU 72 HD11 LEU 72 2.953 -4.776 1.431 507 HD12 LEU 72 HD12 LEU 72 1.967 -3.908 0.252 508 HD13 LEU 72 HD13 LEU 72 3.690 -3.567 0.375 509 HD21 LEU 72 HD21 LEU 72 4.849 -6.730 -1.233 510 HD22 LEU 72 HD22 LEU 72 4.696 -6.558 0.518 511 HD23 LEU 72 HD23 LEU 72 5.379 -5.244 -0.445 512 H THR 73 H THR 73 2.248 -10.104 -1.720 513 HA THR 73 HA THR 73 -0.549 -10.645 -2.238 514 HB THR 73 HB THR 73 0.187 -13.056 -2.022 515 HG1 THR 73 HG1 THR 73 2.257 -13.527 -1.513 516 HG21 THR 73 HG21 THR 73 1.613 -13.078 -4.044 517 HG22 THR 73 HG22 THR 73 1.891 -11.343 -3.881 518 HG23 THR 73 HG23 THR 73 0.270 -11.952 -4.230 519 H SER 74 H SER 74 0.947 -9.679 0.483 520 HA SER 74 HA SER 74 -1.053 -10.659 2.311 521 HB2 SER 74 HB2 SER 74 0.683 -12.508 2.305 522 HB3 SER 74 HB3 SER 74 1.885 -11.336 2.846 523 HG SER 74 HG SER 74 -0.495 -12.078 4.227 524 H ILE 75 H ILE 75 -0.502 -9.713 4.595 525 HA ILE 75 HA ILE 75 -0.023 -6.927 4.510 526 HB ILE 75 HB ILE 75 0.125 -8.795 6.923 527 HG12 ILE 75 HG12 ILE 75 -2.249 -7.181 5.870 528 HG13 ILE 75 HG13 ILE 75 -2.063 -8.924 5.731 529 HG21 ILE 75 HG21 ILE 75 1.196 -6.619 7.395 530 HG22 ILE 75 HG22 ILE 75 -0.293 -6.799 8.321 531 HG23 ILE 75 HG23 ILE 75 -0.271 -5.777 6.882 532 HD11 ILE 75 HD11 ILE 75 -2.380 -7.376 8.296 533 HD12 ILE 75 HD12 ILE 75 -2.170 -9.125 8.166 534 HD13 ILE 75 HD13 ILE 75 -3.604 -8.354 7.490 535 HA PRO 76 HA PRO 76 4.517 -7.058 4.202 536 HB2 PRO 76 HB2 PRO 76 5.024 -4.395 4.794 537 HB3 PRO 76 HB3 PRO 76 4.421 -4.953 3.222 538 HG2 PRO 76 HG2 PRO 76 2.867 -3.832 5.530 539 HG3 PRO 76 HG3 PRO 76 2.754 -3.434 3.800 540 HD2 PRO 76 HD2 PRO 76 0.979 -5.083 4.936 541 HD3 PRO 76 HD3 PRO 76 1.571 -5.386 3.287 542 H LYS 77 H LYS 77 6.473 -6.176 5.555 543 HA LYS 77 HA LYS 77 6.484 -7.536 8.021 544 HB2 LYS 77 HB2 LYS 77 8.483 -5.533 6.887 545 HB3 LYS 77 HB3 LYS 77 8.816 -6.661 8.191 546 HG2 LYS 77 HG2 LYS 77 8.009 -7.587 5.418 547 HG3 LYS 77 HG3 LYS 77 9.687 -7.286 5.862 548 HD2 LYS 77 HD2 LYS 77 7.859 -9.267 7.271 549 HD3 LYS 77 HD3 LYS 77 9.027 -9.694 6.020 550 HE2 LYS 77 HE2 LYS 77 9.666 -8.512 8.746 551 HE3 LYS 77 HE3 LYS 77 9.965 -10.168 8.219 552 HZ1 LYS 77 HZ1 LYS 77 11.495 -9.283 6.540 553 HZ2 LYS 77 HZ2 LYS 77 11.982 -8.900 8.112 554 HZ3 LYS 77 HZ3 LYS 77 11.257 -7.722 7.147 555 H GLY 78 H GLY 78 5.088 -6.723 9.561 556 HA2 GLY 78 HA2 GLY 78 4.321 -5.421 11.278 557 HA3 GLY 78 HA3 GLY 78 5.841 -4.537 11.194 558 H GLU 79 H GLU 79 5.142 -2.434 11.293 559 HA GLU 79 HA GLU 79 2.950 -1.346 9.798 560 HB2 GLU 79 HB2 GLU 79 5.366 0.114 10.964 561 HB3 GLU 79 HB3 GLU 79 3.853 0.860 10.453 562 HG2 GLU 79 HG2 GLU 79 2.648 -0.358 12.230 563 HG3 GLU 79 HG3 GLU 79 4.164 -1.105 12.738 564 H TRP 80 H TRP 80 3.125 0.103 7.943 565 HA TRP 80 HA TRP 80 5.304 -0.733 6.135 566 HB2 TRP 80 HB2 TRP 80 3.151 -1.713 5.500 567 HB3 TRP 80 HB3 TRP 80 2.366 -0.138 5.557 568 HD1 TRP 80 HD1 TRP 80 5.003 -2.058 3.443 569 HE1 TRP 80 HE1 TRP 80 5.026 -1.017 1.096 570 HE3 TRP 80 HE3 TRP 80 1.783 1.785 4.274 571 HZ2 TRP 80 HZ2 TRP 80 3.828 1.154 -0.234 572 HZ3 TRP 80 HZ3 TRP 80 1.253 3.319 2.400 573 HH2 TRP 80 HH2 TRP 80 2.274 2.993 0.198 574 H LEU 81 H LEU 81 6.507 0.797 5.286 575 HA LEU 81 HA LEU 81 5.739 3.640 5.397 576 HB2 LEU 81 HB2 LEU 81 8.466 2.359 4.930 577 HB3 LEU 81 HB3 LEU 81 8.161 4.084 5.000 578 HG LEU 81 HG LEU 81 7.923 2.116 7.312 579 HD11 LEU 81 HD11 LEU 81 10.238 2.674 6.737 580 HD12 LEU 81 HD12 LEU 81 9.793 3.359 8.297 581 HD13 LEU 81 HD13 LEU 81 9.878 4.397 6.870 582 HD21 LEU 81 HD21 LEU 81 6.161 3.789 7.557 583 HD22 LEU 81 HD22 LEU 81 7.324 5.096 7.321 584 HD23 LEU 81 HD23 LEU 81 7.426 4.066 8.752 585 H CYS 82 H CYS 82 5.289 4.682 3.561 586 HA CYS 82 HA CYS 82 5.058 3.443 1.026 587 HB2 CYS 82 HB2 CYS 82 4.585 5.809 0.244 588 HB3 CYS 82 HB3 CYS 82 3.614 5.310 1.627 589 HA PRO 83 HA PRO 83 9.125 4.151 -0.929 590 HB2 PRO 83 HB2 PRO 83 7.603 5.385 -3.224 591 HB3 PRO 83 HB3 PRO 83 8.821 4.089 -3.244 592 HG2 PRO 83 HG2 PRO 83 6.265 3.485 -3.565 593 HG3 PRO 83 HG3 PRO 83 7.302 2.452 -2.549 594 HD2 PRO 83 HD2 PRO 83 5.271 4.514 -1.692 595 HD3 PRO 83 HD3 PRO 83 5.606 2.903 -1.010 596 H ARG 84 H ARG 84 6.782 6.748 -0.599 597 HA ARG 84 HA ARG 84 8.417 9.022 -0.994 598 HB2 ARG 84 HB2 ARG 84 5.997 8.586 0.809 599 HB3 ARG 84 HB3 ARG 84 6.801 10.137 0.701 600 HG2 ARG 84 HG2 ARG 84 4.849 10.263 -0.628 601 HG3 ARG 84 HG3 ARG 84 6.202 10.190 -1.750 602 HD2 ARG 84 HD2 ARG 84 4.694 7.680 -1.009 603 HD3 ARG 84 HD3 ARG 84 4.041 8.791 -2.216 604 HE ARG 84 HE ARG 84 6.776 8.042 -2.723 605 HH11 ARG 84 HH11 ARG 84 3.429 7.044 -3.232 606 HH12 ARG 84 HH12 ARG 84 3.809 6.091 -4.631 607 HH21 ARG 84 HH21 ARG 84 7.231 6.827 -4.574 608 HH22 ARG 84 HH22 ARG 84 5.948 5.975 -5.378 609 H CYS 85 H CYS 85 7.722 7.079 1.927 610 HA CYS 85 HA CYS 85 9.305 8.538 3.789 611 HB2 CYS 85 HB2 CYS 85 8.458 5.611 3.920 612 HB3 CYS 85 HB3 CYS 85 8.962 6.620 5.296 613 H VAL 86 H VAL 86 9.918 5.757 1.755 614 HA VAL 86 HA VAL 86 12.466 5.015 2.765 615 HB VAL 86 HB VAL 86 11.224 4.488 0.018 616 HG11 VAL 86 HG11 VAL 86 12.790 2.582 -0.174 617 HG12 VAL 86 HG12 VAL 86 13.550 3.044 1.350 618 HG13 VAL 86 HG13 VAL 86 13.657 4.113 -0.051 619 HG21 VAL 86 HG21 VAL 86 10.510 2.312 0.935 620 HG22 VAL 86 HG22 VAL 86 9.815 3.644 1.859 621 HG23 VAL 86 HG23 VAL 86 11.184 2.743 2.509 622 H VAL 87 H VAL 87 11.347 7.085 0.116 623 HA VAL 87 HA VAL 87 12.202 8.757 -1.094 624 HB VAL 87 HB VAL 87 14.711 8.621 0.625 625 HG11 VAL 87 HG11 VAL 87 15.230 10.893 -0.208 626 HG12 VAL 87 HG12 VAL 87 13.855 10.799 -1.311 627 HG13 VAL 87 HG13 VAL 87 15.220 9.700 -1.508 628 HG21 VAL 87 HG21 VAL 87 12.734 9.177 1.968 629 HG22 VAL 87 HG22 VAL 87 12.313 10.480 0.855 630 HG23 VAL 87 HG23 VAL 87 13.787 10.587 1.818 631 H GLU 88 H GLU 88 14.698 6.327 -0.469 632 HA GLU 88 HA GLU 88 15.785 4.882 -1.635 633 HB2 GLU 88 HB2 GLU 88 13.603 4.512 -2.842 634 HB3 GLU 88 HB3 GLU 88 14.165 5.627 -4.088 635 HG2 GLU 88 HG2 GLU 88 16.112 4.135 -4.461 636 HG3 GLU 88 HG3 GLU 88 15.447 3.004 -3.298 637 H GLU 89 H GLU 89 17.809 5.001 -2.259 638 HA GLU 89 HA GLU 89 19.043 7.513 -2.621 639 HB2 GLU 89 HB2 GLU 89 20.237 4.730 -2.905 640 HB3 GLU 89 HB3 GLU 89 21.152 6.219 -2.664 641 HG2 GLU 89 HG2 GLU 89 20.189 6.510 -0.441 642 HG3 GLU 89 HG3 GLU 89 19.124 5.127 -0.686 643 H VAL 90 H VAL 90 18.033 5.091 -4.910 644 HA VAL 90 HA VAL 90 19.190 6.637 -7.150 645 HB VAL 90 HB VAL 90 18.256 4.717 -8.608 646 HG11 VAL 90 HG11 VAL 90 20.657 4.956 -8.127 647 HG12 VAL 90 HG12 VAL 90 20.206 3.253 -8.183 648 HG13 VAL 90 HG13 VAL 90 20.470 4.046 -6.626 649 HG21 VAL 90 HG21 VAL 90 17.914 2.514 -7.498 650 HG22 VAL 90 HG22 VAL 90 16.703 3.700 -7.005 651 HG23 VAL 90 HG23 VAL 90 18.034 3.304 -5.921 652 H SER 91 H SER 91 17.889 8.447 -7.024 653 HA SER 91 HA SER 91 14.987 8.289 -7.128 654 HB2 SER 91 HB2 SER 91 16.853 10.690 -7.437 655 HB3 SER 91 HB3 SER 91 15.101 10.759 -7.215 656 HG SER 91 HG SER 91 17.066 9.861 -5.387 657 H LYS 92 H LYS 92 13.769 9.341 -8.851 658 HA LYS 92 HA LYS 92 14.522 8.566 -11.520 659 HB2 LYS 92 HB2 LYS 92 12.181 10.288 -10.549 660 HB3 LYS 92 HB3 LYS 92 12.318 9.544 -12.143 661 HG2 LYS 92 HG2 LYS 92 12.236 7.305 -11.128 662 HG3 LYS 92 HG3 LYS 92 12.137 8.029 -9.518 663 HD2 LYS 92 HD2 LYS 92 9.979 9.084 -10.122 664 HD3 LYS 92 HD3 LYS 92 10.083 8.377 -11.737 665 HE2 LYS 92 HE2 LYS 92 10.048 6.107 -10.701 666 HE3 LYS 92 HE3 LYS 92 9.826 6.865 -9.119 667 HZ1 LYS 92 HZ1 LYS 92 7.754 7.824 -9.906 668 HZ2 LYS 92 HZ2 LYS 92 7.725 6.142 -10.088 669 HZ3 LYS 92 HZ3 LYS 92 7.977 7.133 -11.432 670 HA PRO 93 HA PRO 93 16.624 12.253 -12.991 671 HB2 PRO 93 HB2 PRO 93 15.235 12.848 -15.384 672 HB3 PRO 93 HB3 PRO 93 16.547 11.667 -15.220 673 HG2 PRO 93 HG2 PRO 93 13.592 11.199 -15.191 674 HG3 PRO 93 HG3 PRO 93 14.874 10.254 -15.983 675 HD2 PRO 93 HD2 PRO 93 13.798 9.389 -13.700 676 HD3 PRO 93 HD3 PRO 93 15.551 9.236 -13.969 677 H GLN 94 H GLN 94 16.524 14.426 -12.669 678 HA GLN 94 HA GLN 94 14.245 15.617 -11.450 679 HB2 GLN 94 HB2 GLN 94 16.611 16.201 -10.857 680 HB3 GLN 94 HB3 GLN 94 16.808 16.951 -12.436 681 HG2 GLN 94 HG2 GLN 94 14.942 18.545 -11.807 682 HG3 GLN 94 HG3 GLN 94 14.996 17.858 -10.183 683 HE21 GLN 94 HE21 GLN 94 16.832 18.276 -8.867 684 HE22 GLN 94 HE22 GLN 94 17.934 19.561 -9.226
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